smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc([C@]23CN(Cc4[nH]c(C)c(C)[nH+]4)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940860 539578626 /nfs/dbraw/zinc/57/86/26/539578626.db2.gz XQJAZRPNGZBUOP-RHSMWYFYSA-N 2 2 330.436 1.423 50 0 EDAALP Cc1noc([C@]23CN(Cc4[nH]c(C)c(C)[nH+]4)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685940860 539578631 /nfs/dbraw/zinc/57/86/31/539578631.db2.gz XQJAZRPNGZBUOP-RHSMWYFYSA-N 2 2 330.436 1.423 50 0 EDAALP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069929126 202299044 /nfs/dbraw/zinc/29/90/44/202299044.db2.gz MLZYIQDNYHZJNL-QGZVFWFLSA-N 2 2 349.479 1.335 50 0 EDAALP Cc1ccc(NC[C@@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)[nH+]c1 ZINC000097200831 201382844 /nfs/dbraw/zinc/38/28/44/201382844.db2.gz DGCSBCLJRKJKND-INIZCTEOSA-N 2 2 332.448 1.373 50 0 EDAALP Cc1ccc(NC[C@@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)[nH+]c1 ZINC000097200831 201382845 /nfs/dbraw/zinc/38/28/45/201382845.db2.gz DGCSBCLJRKJKND-INIZCTEOSA-N 2 2 332.448 1.373 50 0 EDAALP C[N@@H+]1CCN(Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1(C)C ZINC000216310596 241180270 /nfs/dbraw/zinc/18/02/70/241180270.db2.gz HCBFMASCWFTPCY-UHFFFAOYSA-N 2 2 347.503 1.924 50 0 EDAALP C[N@H+]1CCN(Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1(C)C ZINC000216310596 241180275 /nfs/dbraw/zinc/18/02/75/241180275.db2.gz HCBFMASCWFTPCY-UHFFFAOYSA-N 2 2 347.503 1.924 50 0 EDAALP CN(CC1CC1)C(=O)C[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069588294 203023462 /nfs/dbraw/zinc/02/34/62/203023462.db2.gz JVGZZJXJHHNXCB-UHFFFAOYSA-N 2 2 341.459 1.943 50 0 EDAALP CN(CC1CC1)C(=O)C[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069588294 203023464 /nfs/dbraw/zinc/02/34/64/203023464.db2.gz JVGZZJXJHHNXCB-UHFFFAOYSA-N 2 2 341.459 1.943 50 0 EDAALP CN(C)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000071841813 203126670 /nfs/dbraw/zinc/12/66/70/203126670.db2.gz VMENBHITKGENCC-UHFFFAOYSA-N 2 2 333.480 1.246 50 0 EDAALP CN(C)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000071841813 203126672 /nfs/dbraw/zinc/12/66/72/203126672.db2.gz VMENBHITKGENCC-UHFFFAOYSA-N 2 2 333.480 1.246 50 0 EDAALP C[C@@H]([NH2+]CCn1cccn1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071879233 203134789 /nfs/dbraw/zinc/13/47/89/203134789.db2.gz JJOXJFBGJPWPLN-QGZVFWFLSA-N 2 2 341.459 1.206 50 0 EDAALP Cc1[nH+]cnc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1C ZINC000072462990 203227705 /nfs/dbraw/zinc/22/77/05/203227705.db2.gz BLMTWWYBLFHXMJ-LJQANCHMSA-N 2 2 345.491 1.864 50 0 EDAALP O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CC[NH+](CCO)CC1 ZINC000299792186 258097516 /nfs/dbraw/zinc/09/75/16/258097516.db2.gz DZFJNPFVWFHOID-OTWHNJEPSA-N 2 2 343.471 1.349 50 0 EDAALP O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N1CC[NH+](CCO)CC1 ZINC000299792186 258097517 /nfs/dbraw/zinc/09/75/17/258097517.db2.gz DZFJNPFVWFHOID-OTWHNJEPSA-N 2 2 343.471 1.349 50 0 EDAALP O[C@H]1C[NH2+]CC[N@@H+](C2CCN(c3ncc4ccc(F)cc4n3)CC2)C1 ZINC000097743227 441144047 /nfs/dbraw/zinc/14/40/47/441144047.db2.gz GRJSMUWPHKLGAE-INIZCTEOSA-N 2 2 345.422 1.004 50 0 EDAALP O[C@H]1C[NH2+]CC[N@H+](C2CCN(c3ncc4ccc(F)cc4n3)CC2)C1 ZINC000097743227 441144050 /nfs/dbraw/zinc/14/40/50/441144050.db2.gz GRJSMUWPHKLGAE-INIZCTEOSA-N 2 2 345.422 1.004 50 0 EDAALP CC1(C(=O)N2CC[N@H+](Cc3cccc(F)c3)C[C@@H](O)C2)CC[NH2+]CC1 ZINC000097805620 441145163 /nfs/dbraw/zinc/14/51/63/441145163.db2.gz HASYOMOJEILJBZ-QGZVFWFLSA-N 2 2 349.450 1.221 50 0 EDAALP CC1(C(=O)N2CC[N@@H+](Cc3cccc(F)c3)C[C@@H](O)C2)CC[NH2+]CC1 ZINC000097805620 441145167 /nfs/dbraw/zinc/14/51/67/441145167.db2.gz HASYOMOJEILJBZ-QGZVFWFLSA-N 2 2 349.450 1.221 50 0 EDAALP CN(C)c1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c[nH+]1 ZINC000058248319 441166131 /nfs/dbraw/zinc/16/61/31/441166131.db2.gz IGVJMGKEODOYEZ-MRXNPFEDSA-N 2 2 347.463 1.154 50 0 EDAALP O=C(OCc1ccccc1)N1CCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000072454831 441232430 /nfs/dbraw/zinc/23/24/30/441232430.db2.gz OGYWZQUJJRSHSN-IBGZPJMESA-N 2 2 347.459 1.445 50 0 EDAALP O=C(OCc1ccccc1)N1CCC[N@H+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000072454831 441232435 /nfs/dbraw/zinc/23/24/35/441232435.db2.gz OGYWZQUJJRSHSN-IBGZPJMESA-N 2 2 347.459 1.445 50 0 EDAALP C[NH+]1CCN(C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)CC1 ZINC000082086989 441331465 /nfs/dbraw/zinc/33/14/65/441331465.db2.gz QMSHLMZOQYEXME-UHFFFAOYSA-N 2 2 331.464 1.840 50 0 EDAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3cccc4cccnc43)C[C@H]2O)CC1 ZINC000067803757 441680498 /nfs/dbraw/zinc/68/04/98/441680498.db2.gz QZUNJYAUEWGDSW-RTBURBONSA-N 2 2 341.455 1.627 50 0 EDAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)CC1 ZINC000067803757 441680503 /nfs/dbraw/zinc/68/05/03/441680503.db2.gz QZUNJYAUEWGDSW-RTBURBONSA-N 2 2 341.455 1.627 50 0 EDAALP Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)C[NH+]3CCCCCC3)C2)n[nH]1 ZINC000067896059 441694292 /nfs/dbraw/zinc/69/42/92/441694292.db2.gz MMAYFSBPQVUFBW-MRXNPFEDSA-N 2 2 333.480 1.532 50 0 EDAALP Cc1cc(C[N@H+]2CC[C@H](CNC(=O)C[NH+]3CCCCCC3)C2)n[nH]1 ZINC000067896059 441694295 /nfs/dbraw/zinc/69/42/95/441694295.db2.gz MMAYFSBPQVUFBW-MRXNPFEDSA-N 2 2 333.480 1.532 50 0 EDAALP CCc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)nc(C)[nH+]1 ZINC000095361396 441912937 /nfs/dbraw/zinc/91/29/37/441912937.db2.gz RCHREFPQBNPIEL-IAGOWNOFSA-N 2 2 348.491 1.096 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)C[N@H+](C)CCC[NH+]2C ZINC000095371081 441913909 /nfs/dbraw/zinc/91/39/09/441913909.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 3 2 332.496 1.536 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)C[N@@H+](C)CCC[NH+]2C ZINC000095371081 441913918 /nfs/dbraw/zinc/91/39/18/441913918.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 3 2 332.496 1.536 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)C[NH+](C)CCC[N@@H+]2C ZINC000095371081 441913924 /nfs/dbraw/zinc/91/39/24/441913924.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 3 2 332.496 1.536 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)C[NH+](C)CCC[N@H+]2C ZINC000095371081 441913927 /nfs/dbraw/zinc/91/39/27/441913927.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 3 2 332.496 1.536 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)CN(C)CCC[N@@H+]2C ZINC000095371081 441913933 /nfs/dbraw/zinc/91/39/33/441913933.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 2 2 332.496 1.536 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)CN(C)CCC[N@H+]2C ZINC000095371081 441913937 /nfs/dbraw/zinc/91/39/37/441913937.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 2 2 332.496 1.536 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)C[N@H+](C)CCCN2C ZINC000095371081 441913941 /nfs/dbraw/zinc/91/39/41/441913941.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 2 2 332.496 1.536 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC2(CC1)C[N@@H+](C)CCCN2C ZINC000095371081 441913945 /nfs/dbraw/zinc/91/39/45/441913945.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 2 2 332.496 1.536 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000095382385 441917053 /nfs/dbraw/zinc/91/70/53/441917053.db2.gz SXZGKTPCZQUZRM-MRXNPFEDSA-N 2 2 334.464 1.720 50 0 EDAALP CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000079021883 442009280 /nfs/dbraw/zinc/00/92/80/442009280.db2.gz SALHGICXSKPOJF-CYBMUJFWSA-N 2 2 346.435 1.896 50 0 EDAALP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000079021883 442009285 /nfs/dbraw/zinc/00/92/85/442009285.db2.gz SALHGICXSKPOJF-CYBMUJFWSA-N 2 2 346.435 1.896 50 0 EDAALP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000096437201 442130169 /nfs/dbraw/zinc/13/01/69/442130169.db2.gz HVXASDSDUXGVQP-INIZCTEOSA-N 2 2 342.443 1.879 50 0 EDAALP CS[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000096452377 442135981 /nfs/dbraw/zinc/13/59/81/442135981.db2.gz JHPFRALIVFSIKM-HIFRSBDPSA-N 2 2 328.526 1.596 50 0 EDAALP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000097160070 442176912 /nfs/dbraw/zinc/17/69/12/442176912.db2.gz USSICYURAHGBRT-KRWDZBQOSA-N 2 2 329.448 1.419 50 0 EDAALP O[C@@H]1C[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)[N@H+](Cc2ccccc2)C1 ZINC000195565192 443033147 /nfs/dbraw/zinc/03/31/47/443033147.db2.gz DQBQLMYMPUFTRU-RBUKOAKNSA-N 2 2 346.471 1.897 50 0 EDAALP O[C@@H]1C[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)[N@@H+](Cc2ccccc2)C1 ZINC000195565192 443033151 /nfs/dbraw/zinc/03/31/51/443033151.db2.gz DQBQLMYMPUFTRU-RBUKOAKNSA-N 2 2 346.471 1.897 50 0 EDAALP Cn1cc[nH+]c1CCNC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000223227231 443086283 /nfs/dbraw/zinc/08/62/83/443086283.db2.gz HNZCPQLGYIAOMJ-UHFFFAOYSA-N 2 2 327.432 1.144 50 0 EDAALP [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000238043110 443192902 /nfs/dbraw/zinc/19/29/02/443192902.db2.gz MEQWTEZDNGFUAZ-YJBOKZPZSA-N 2 2 331.460 1.653 50 0 EDAALP CN(Cc1csc(C[NH+](C)C)n1)CC(C)(C)C[NH+]1CCOCC1 ZINC000583651420 448456940 /nfs/dbraw/zinc/45/69/40/448456940.db2.gz MVTJIQOYHJXAPC-UHFFFAOYSA-N 2 2 340.537 1.995 50 0 EDAALP CC[NH+]1CCC(CNC(=O)NC[C@@H](O)c2ccccc2)([NH+](C)C)CC1 ZINC000534632198 448457959 /nfs/dbraw/zinc/45/79/59/448457959.db2.gz NHPOHNWZMNQUCY-QGZVFWFLSA-N 2 2 348.491 1.435 50 0 EDAALP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000095393978 295928924 /nfs/dbraw/zinc/92/89/24/295928924.db2.gz CPHAOWNFNZPARP-IRXDYDNUSA-N 2 2 338.496 1.367 50 0 EDAALP CC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c1 ZINC000023372841 202103199 /nfs/dbraw/zinc/10/31/99/202103199.db2.gz ZHFJTNBCTUSGLL-RTBURBONSA-N 2 2 331.460 1.072 50 0 EDAALP CC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c1 ZINC000023372841 202103203 /nfs/dbraw/zinc/10/32/03/202103203.db2.gz ZHFJTNBCTUSGLL-RTBURBONSA-N 2 2 331.460 1.072 50 0 EDAALP CCN1CCO[C@H](C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000069703076 202290504 /nfs/dbraw/zinc/29/05/04/202290504.db2.gz GNMIRJBAYMLUCC-DLBZAZTESA-N 2 2 346.475 1.324 50 0 EDAALP Cc1cc2[nH+]cn(C[C@H](O)CN3CCO[C@H](C[NH+](C)C)C3)c2cc1C ZINC000070008232 202303027 /nfs/dbraw/zinc/30/30/27/202303027.db2.gz ASRMYLOWWUZSRF-IAGOWNOFSA-N 2 2 346.475 1.276 50 0 EDAALP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1Cn1cccn1 ZINC000071876982 202352492 /nfs/dbraw/zinc/35/24/92/202352492.db2.gz DHHCVKKGILGVSN-RTBURBONSA-N 2 2 328.460 1.840 50 0 EDAALP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1Cn1cccn1 ZINC000071876982 202352494 /nfs/dbraw/zinc/35/24/94/202352494.db2.gz DHHCVKKGILGVSN-RTBURBONSA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071876982 202352498 /nfs/dbraw/zinc/35/24/98/202352498.db2.gz DHHCVKKGILGVSN-RTBURBONSA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071876982 202352502 /nfs/dbraw/zinc/35/25/02/202352502.db2.gz DHHCVKKGILGVSN-RTBURBONSA-N 2 2 328.460 1.840 50 0 EDAALP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069702746 203039703 /nfs/dbraw/zinc/03/97/03/203039703.db2.gz MIOVRHRMXMBWNI-SJORKVTESA-N 2 2 344.459 1.366 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069702746 203039706 /nfs/dbraw/zinc/03/97/06/203039706.db2.gz MIOVRHRMXMBWNI-SJORKVTESA-N 2 2 344.459 1.366 50 0 EDAALP Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000070013227 203070538 /nfs/dbraw/zinc/07/05/38/203070538.db2.gz ZIPKWGLYIPFZLN-QGZVFWFLSA-N 2 2 345.487 1.967 50 0 EDAALP Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000070013227 203070541 /nfs/dbraw/zinc/07/05/41/203070541.db2.gz ZIPKWGLYIPFZLN-QGZVFWFLSA-N 2 2 345.487 1.967 50 0 EDAALP CC(C)c1nnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000071892988 203138881 /nfs/dbraw/zinc/13/88/81/203138881.db2.gz HSPXGIZECSJUIX-UHFFFAOYSA-N 2 2 349.479 1.569 50 0 EDAALP O=C(c1cn2c(n1)C[NH2+]CC2)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000072153369 203175079 /nfs/dbraw/zinc/17/50/79/203175079.db2.gz RBJFTUVLSHBTPP-UHFFFAOYSA-N 2 2 326.404 1.098 50 0 EDAALP CN(Cc1[nH]cc[nH+]1)c1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072462739 203228543 /nfs/dbraw/zinc/22/85/43/203228543.db2.gz QFDMLKLIVBBEAV-UHFFFAOYSA-N 2 2 335.415 1.586 50 0 EDAALP Cc1c[nH+]c(N2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)nc1N ZINC000072407207 203216324 /nfs/dbraw/zinc/21/63/24/203216324.db2.gz KJQZZHJUJHUIEN-OAHLLOKOSA-N 2 2 345.422 1.580 50 0 EDAALP Cc1c[nH+]c(N2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)nc1N ZINC000072407207 203216326 /nfs/dbraw/zinc/21/63/26/203216326.db2.gz KJQZZHJUJHUIEN-OAHLLOKOSA-N 2 2 345.422 1.580 50 0 EDAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)C3CCCC3)[nH+]cn2)c1C ZINC000072436936 203224062 /nfs/dbraw/zinc/22/40/62/203224062.db2.gz GOPZRFYCSKDSMX-UHFFFAOYSA-N 2 2 328.420 1.997 50 0 EDAALP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074534807 203289923 /nfs/dbraw/zinc/28/99/23/203289923.db2.gz XVKIOHAUTTZBMF-MRXNPFEDSA-N 2 2 349.479 1.545 50 0 EDAALP COCC1(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC[NH2+]CC1 ZINC000261635045 139213124 /nfs/dbraw/zinc/21/31/24/139213124.db2.gz BOSXRBJJCVMTQI-UHFFFAOYSA-N 2 2 342.443 1.927 50 0 EDAALP Cc1[nH+]ccn1CC1(CNc2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000299798887 258102333 /nfs/dbraw/zinc/10/23/33/258102333.db2.gz RVQONVYCAWBFHP-ZDUSSCGKSA-N 2 2 328.420 1.960 50 0 EDAALP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000333662620 141352362 /nfs/dbraw/zinc/35/23/62/141352362.db2.gz WQZKMYQHYKBOSW-WMLDXEAASA-N 2 2 331.464 1.621 50 0 EDAALP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000333662620 141352363 /nfs/dbraw/zinc/35/23/63/141352363.db2.gz WQZKMYQHYKBOSW-WMLDXEAASA-N 2 2 331.464 1.621 50 0 EDAALP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1F ZINC000095367361 289273184 /nfs/dbraw/zinc/27/31/84/289273184.db2.gz PWHDUSMZNNUCME-MRXNPFEDSA-N 2 2 337.439 1.655 50 0 EDAALP Cc1ccc(C[N@H+]2CC=C(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000064817976 441393618 /nfs/dbraw/zinc/39/36/18/441393618.db2.gz PWAWWTLUZQNHMU-UHFFFAOYSA-N 2 2 343.471 1.576 50 0 EDAALP Cc1ccc(C[N@@H+]2CC=C(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000064817976 441393624 /nfs/dbraw/zinc/39/36/24/441393624.db2.gz PWAWWTLUZQNHMU-UHFFFAOYSA-N 2 2 343.471 1.576 50 0 EDAALP Cc1nn(CC[N@@H+]2CC[C@@H](CO)C2)cc1C[NH+]1CCn2cccc2C1 ZINC000065507386 441446833 /nfs/dbraw/zinc/44/68/33/441446833.db2.gz GITPDUHCODNHKB-QGZVFWFLSA-N 2 2 343.475 1.323 50 0 EDAALP Cc1nn(CC[N@H+]2CC[C@@H](CO)C2)cc1C[NH+]1CCn2cccc2C1 ZINC000065507386 441446836 /nfs/dbraw/zinc/44/68/36/441446836.db2.gz GITPDUHCODNHKB-QGZVFWFLSA-N 2 2 343.475 1.323 50 0 EDAALP Cc1nn(CC[NH+]2CC[C@@H](CO)C2)cc1C[N@@H+]1CCn2cccc2C1 ZINC000065507386 441446840 /nfs/dbraw/zinc/44/68/40/441446840.db2.gz GITPDUHCODNHKB-QGZVFWFLSA-N 2 2 343.475 1.323 50 0 EDAALP Cc1nn(CC[NH+]2CC[C@@H](CO)C2)cc1C[N@H+]1CCn2cccc2C1 ZINC000065507386 441446845 /nfs/dbraw/zinc/44/68/45/441446845.db2.gz GITPDUHCODNHKB-QGZVFWFLSA-N 2 2 343.475 1.323 50 0 EDAALP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCc1ccc2c(c1)OCO2 ZINC000065562461 441459141 /nfs/dbraw/zinc/45/91/41/441459141.db2.gz PAUICIIZNPCPGS-OAHLLOKOSA-N 2 2 342.399 1.565 50 0 EDAALP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCc1ccc2c(c1)OCO2 ZINC000065562461 441459145 /nfs/dbraw/zinc/45/91/45/441459145.db2.gz PAUICIIZNPCPGS-OAHLLOKOSA-N 2 2 342.399 1.565 50 0 EDAALP Cc1[nH+]c2ccccc2n1CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000089729982 441572910 /nfs/dbraw/zinc/57/29/10/441572910.db2.gz DXMCNHIJGNTJNQ-CQSZACIVSA-N 2 2 332.473 1.898 50 0 EDAALP Cc1[nH+]c2ccccc2n1CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000089729982 441572914 /nfs/dbraw/zinc/57/29/14/441572914.db2.gz DXMCNHIJGNTJNQ-CQSZACIVSA-N 2 2 332.473 1.898 50 0 EDAALP Cc1n[nH]c(C)c1CC(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067842798 441686404 /nfs/dbraw/zinc/68/64/04/441686404.db2.gz BLVCTTWMDPSFLK-UHFFFAOYSA-N 2 2 333.480 1.198 50 0 EDAALP Cc1n[nH]c(C)c1CC(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067842798 441686408 /nfs/dbraw/zinc/68/64/08/441686408.db2.gz BLVCTTWMDPSFLK-UHFFFAOYSA-N 2 2 333.480 1.198 50 0 EDAALP CCCCc1c(C)[nH+]c(N)nc1N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000091390854 441698507 /nfs/dbraw/zinc/69/85/07/441698507.db2.gz PHCPKXSUTFWTPX-UHFFFAOYSA-N 2 2 344.463 1.938 50 0 EDAALP C[NH+]1CCN(c2cc3c(cc2F)n(O)c2c([n+]3=O)CCCC2)CC1 ZINC000136602835 441706893 /nfs/dbraw/zinc/70/68/93/441706893.db2.gz ZZBQAEMDBSFBKE-UHFFFAOYSA-N 2 2 333.387 1.563 50 0 EDAALP Cc1c[nH]c(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095387661 441919301 /nfs/dbraw/zinc/91/93/01/441919301.db2.gz IBWVWFRWOJXQAE-HNNXBMFYSA-N 2 2 344.463 1.886 50 0 EDAALP CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000096003164 441978006 /nfs/dbraw/zinc/97/80/06/441978006.db2.gz LOMJDWKTITZKMX-FGTMMUONSA-N 2 2 336.501 1.921 50 0 EDAALP CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000096003164 441978015 /nfs/dbraw/zinc/97/80/15/441978015.db2.gz LOMJDWKTITZKMX-FGTMMUONSA-N 2 2 336.501 1.921 50 0 EDAALP CCCc1nc(N2CCC([NH2+]Cc3nc(N)n[nH]3)CC2)cc(C)[nH+]1 ZINC000095504985 441941260 /nfs/dbraw/zinc/94/12/60/441941260.db2.gz LUFUDUFSTIOQDQ-UHFFFAOYSA-N 2 2 330.440 1.196 50 0 EDAALP O=C([C@@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095511288 441944523 /nfs/dbraw/zinc/94/45/23/441944523.db2.gz DRRFCSIGKSOGKE-CQSZACIVSA-N 2 2 345.472 1.703 50 0 EDAALP O=C([C@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000096151165 442046361 /nfs/dbraw/zinc/04/63/61/442046361.db2.gz QTABQAXXLQRGGI-KRWDZBQOSA-N 2 2 339.443 1.642 50 0 EDAALP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000096437736 442131069 /nfs/dbraw/zinc/13/10/69/442131069.db2.gz JVVJOVKURLUBSZ-MRXNPFEDSA-N 2 2 342.447 1.893 50 0 EDAALP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096632 442167488 /nfs/dbraw/zinc/16/74/88/442167488.db2.gz BGEIZCRAYBUZFH-SJLPKXTDSA-N 2 2 345.491 1.782 50 0 EDAALP C[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@@H+]1C ZINC000253431018 443069935 /nfs/dbraw/zinc/06/99/35/443069935.db2.gz NFVLDOZLYYOAHB-HOCLYGCPSA-N 2 2 332.448 1.265 50 0 EDAALP C[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@H+]1C ZINC000253431018 443069941 /nfs/dbraw/zinc/06/99/41/443069941.db2.gz NFVLDOZLYYOAHB-HOCLYGCPSA-N 2 2 332.448 1.265 50 0 EDAALP Nc1nc(NCCc2[nH]c3ccc(F)cc3[nH+]2)cc(C2CC(O)C2)[nH+]1 ZINC000222912025 443082827 /nfs/dbraw/zinc/08/28/27/443082827.db2.gz QEMHNKLQDYCRSF-UHFFFAOYSA-N 2 2 342.378 1.967 50 0 EDAALP c1cc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c[nH]1 ZINC000236587415 443140226 /nfs/dbraw/zinc/14/02/26/443140226.db2.gz LLKIQZDDIVUSMQ-MRXNPFEDSA-N 2 2 342.447 1.400 50 0 EDAALP Cc1nc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c2c([nH+]1)CCCC2 ZINC000333912939 444716523 /nfs/dbraw/zinc/71/65/23/444716523.db2.gz LZOZWDWFINKGLF-CQSZACIVSA-N 2 2 329.448 1.064 50 0 EDAALP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000219299366 534563791 /nfs/dbraw/zinc/56/37/91/534563791.db2.gz RLWXBCICOJTBKP-HNNXBMFYSA-N 2 2 349.479 1.225 50 0 EDAALP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000219299366 534563796 /nfs/dbraw/zinc/56/37/96/534563796.db2.gz RLWXBCICOJTBKP-HNNXBMFYSA-N 2 2 349.479 1.225 50 0 EDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000178296939 534672007 /nfs/dbraw/zinc/67/20/07/534672007.db2.gz WQRLFDJTIBWAOS-UHFFFAOYSA-N 2 2 330.432 1.701 50 0 EDAALP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939928 539576735 /nfs/dbraw/zinc/57/67/35/539576735.db2.gz DZSYONLKKQDEML-ZBFHGGJFSA-N 2 2 332.448 1.187 50 0 EDAALP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939928 539576739 /nfs/dbraw/zinc/57/67/39/539576739.db2.gz DZSYONLKKQDEML-ZBFHGGJFSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939928 539576743 /nfs/dbraw/zinc/57/67/43/539576743.db2.gz DZSYONLKKQDEML-ZBFHGGJFSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939928 539576748 /nfs/dbraw/zinc/57/67/48/539576748.db2.gz DZSYONLKKQDEML-ZBFHGGJFSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000072128909 203165305 /nfs/dbraw/zinc/16/53/05/203165305.db2.gz DZXRIQGOUBTHPY-IBGZPJMESA-N 2 2 342.443 1.996 50 0 EDAALP COc1cc(N2CC[N@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)nc(N)[nH+]1 ZINC000072481294 203232871 /nfs/dbraw/zinc/23/28/71/203232871.db2.gz SGTQLWCFFFTKAR-ZDUSSCGKSA-N 2 2 347.419 1.042 50 0 EDAALP COc1cc(N2CC[N@@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)nc(N)[nH+]1 ZINC000072481294 203232872 /nfs/dbraw/zinc/23/28/72/203232872.db2.gz SGTQLWCFFFTKAR-ZDUSSCGKSA-N 2 2 347.419 1.042 50 0 EDAALP CSCC[C@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072432594 203223508 /nfs/dbraw/zinc/22/35/08/203223508.db2.gz FAGDLSRRWWONSA-INIZCTEOSA-N 2 2 336.505 1.585 50 0 EDAALP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000408519094 250299328 /nfs/dbraw/zinc/29/93/28/250299328.db2.gz ZDRSLFAKGQFLPQ-INIZCTEOSA-N 2 2 344.459 1.591 50 0 EDAALP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000408519094 250299330 /nfs/dbraw/zinc/29/93/30/250299330.db2.gz ZDRSLFAKGQFLPQ-INIZCTEOSA-N 2 2 344.459 1.591 50 0 EDAALP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000408519094 250299335 /nfs/dbraw/zinc/29/93/35/250299335.db2.gz ZDRSLFAKGQFLPQ-INIZCTEOSA-N 2 2 344.459 1.591 50 0 EDAALP Cc1cccn2cc(CC(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)[nH+]c12 ZINC000076051250 287280336 /nfs/dbraw/zinc/28/03/36/287280336.db2.gz IQQAOFJIBCGKIX-WBVHZDCISA-N 2 2 342.443 1.364 50 0 EDAALP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)CCC[N@@H+]1C ZINC000284505782 274226794 /nfs/dbraw/zinc/22/67/94/274226794.db2.gz KUDNBIQYHGUPNI-FUHWJXTLSA-N 2 2 341.459 1.692 50 0 EDAALP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)CCC[N@H+]1C ZINC000284505782 274226795 /nfs/dbraw/zinc/22/67/95/274226795.db2.gz KUDNBIQYHGUPNI-FUHWJXTLSA-N 2 2 341.459 1.692 50 0 EDAALP Cc1ccc[nH+]c1N1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000067983237 281413217 /nfs/dbraw/zinc/41/32/17/281413217.db2.gz MIXVDIQLEIGWDR-GOSISDBHSA-N 2 2 336.439 1.753 50 0 EDAALP Nc1nc(N2CC[NH+](Cc3cccnc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426393085 447433541 /nfs/dbraw/zinc/43/35/41/447433541.db2.gz UURKSHLMVHDXFZ-OAHLLOKOSA-N 2 2 340.431 1.280 50 0 EDAALP COc1ccc(CCN2C[C@@H]([NH2+]Cc3c[nH+]c(C)n3C)CC2=O)cc1 ZINC000012305737 441130027 /nfs/dbraw/zinc/13/00/27/441130027.db2.gz BMBGLMMCFNZMHG-INIZCTEOSA-N 2 2 342.443 1.670 50 0 EDAALP COC1CC[NH+](CCNC(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000080125746 441143956 /nfs/dbraw/zinc/14/39/56/441143956.db2.gz AKWGNLAVOZMGGQ-UHFFFAOYSA-N 2 2 345.447 1.553 50 0 EDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000072270385 441214497 /nfs/dbraw/zinc/21/44/97/441214497.db2.gz JHRGWINGGWQRRO-SJORKVTESA-N 2 2 339.443 1.764 50 0 EDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000072270385 441214500 /nfs/dbraw/zinc/21/45/00/441214500.db2.gz JHRGWINGGWQRRO-SJORKVTESA-N 2 2 339.443 1.764 50 0 EDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000072284659 441220678 /nfs/dbraw/zinc/22/06/78/441220678.db2.gz HYEUTMRFFYLDHJ-MRXNPFEDSA-N 2 2 342.447 1.310 50 0 EDAALP Cc1[nH+]cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)n1-c1ccccc1 ZINC000081292718 441249048 /nfs/dbraw/zinc/24/90/48/441249048.db2.gz CJEYMWNDTSDDHQ-UHFFFAOYSA-N 2 2 336.461 1.598 50 0 EDAALP COc1cccc(C[N@@H+]2CCN(c3cc[nH+]c(N)n3)C[C@H]2CCO)c1 ZINC000106986190 441397245 /nfs/dbraw/zinc/39/72/45/441397245.db2.gz BWBWRDAZAYEIHG-OAHLLOKOSA-N 2 2 343.431 1.141 50 0 EDAALP COc1cccc(C[N@H+]2CCN(c3cc[nH+]c(N)n3)C[C@H]2CCO)c1 ZINC000106986190 441397248 /nfs/dbraw/zinc/39/72/48/441397248.db2.gz BWBWRDAZAYEIHG-OAHLLOKOSA-N 2 2 343.431 1.141 50 0 EDAALP CN(C)c1cc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc[nH+]1 ZINC000076023343 441579612 /nfs/dbraw/zinc/57/96/12/441579612.db2.gz RWWTTXSGFBKRNQ-UHFFFAOYSA-N 2 2 331.424 1.227 50 0 EDAALP CC1(C)C[N@H+](Cc2cscn2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091269924 441690274 /nfs/dbraw/zinc/69/02/74/441690274.db2.gz FUZZKTRAQZSMEH-INIZCTEOSA-N 2 2 325.478 1.438 50 0 EDAALP CC1(C)C[N@@H+](Cc2cscn2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091269924 441690277 /nfs/dbraw/zinc/69/02/77/441690277.db2.gz FUZZKTRAQZSMEH-INIZCTEOSA-N 2 2 325.478 1.438 50 0 EDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000091475903 441704435 /nfs/dbraw/zinc/70/44/35/441704435.db2.gz IIHGGELHUVOQAK-INIZCTEOSA-N 2 2 334.464 1.768 50 0 EDAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000091966525 441758537 /nfs/dbraw/zinc/75/85/37/441758537.db2.gz QTKDZOQSHJXAEI-UHFFFAOYSA-N 2 2 340.435 1.646 50 0 EDAALP CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000092036899 441763291 /nfs/dbraw/zinc/76/32/91/441763291.db2.gz MHQPUSXDQSJGST-YYIAUSFCSA-N 2 2 336.476 1.992 50 0 EDAALP CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000092036899 441763297 /nfs/dbraw/zinc/76/32/97/441763297.db2.gz MHQPUSXDQSJGST-YYIAUSFCSA-N 2 2 336.476 1.992 50 0 EDAALP CCc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000092036899 441763303 /nfs/dbraw/zinc/76/33/03/441763303.db2.gz MHQPUSXDQSJGST-YYIAUSFCSA-N 2 2 336.476 1.992 50 0 EDAALP CCc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000092036899 441763306 /nfs/dbraw/zinc/76/33/06/441763306.db2.gz MHQPUSXDQSJGST-YYIAUSFCSA-N 2 2 336.476 1.992 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000095369176 441913809 /nfs/dbraw/zinc/91/38/09/441913809.db2.gz WIQSLRXXQMINST-DLBZAZTESA-N 3 2 347.507 1.668 50 0 EDAALP C[NH+](C)C1(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)CCC1 ZINC000095418272 441924516 /nfs/dbraw/zinc/92/45/16/441924516.db2.gz HVNGKBADJVNZOJ-ZWKOTPCHSA-N 2 2 343.471 1.583 50 0 EDAALP C[NH+](C)C1(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)CCC1 ZINC000095418272 441924520 /nfs/dbraw/zinc/92/45/20/441924520.db2.gz HVNGKBADJVNZOJ-ZWKOTPCHSA-N 2 2 343.471 1.583 50 0 EDAALP Cc1cccn2cc(CC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)[nH+]c12 ZINC000078789595 441972639 /nfs/dbraw/zinc/97/26/39/441972639.db2.gz LRTOHVYXSAHABR-DLBZAZTESA-N 2 2 342.443 1.243 50 0 EDAALP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCc2cn3ccccc3[nH+]2)C1(C)C ZINC000188052161 442705768 /nfs/dbraw/zinc/70/57/68/442705768.db2.gz YRWBDCJYDAOZED-KDOFPFPSSA-N 2 2 330.432 1.526 50 0 EDAALP COc1ccc([C@H](CNC(=O)[C@H]2CSC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000195128054 442986467 /nfs/dbraw/zinc/98/64/67/442986467.db2.gz FJJQENXJXFRAGT-CVEARBPZSA-N 2 2 335.473 1.611 50 0 EDAALP CCn1c(C[NH+]2CCC3(CCC(=O)N3C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252551041 443042553 /nfs/dbraw/zinc/04/25/53/443042553.db2.gz TVWDKLZKHOIIEH-OKILXGFUSA-N 2 2 346.479 1.090 50 0 EDAALP Cc1cc2[nH+]cn(C[C@@H](O)CN3CCO[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000229517390 443128072 /nfs/dbraw/zinc/12/80/72/443128072.db2.gz ASRMYLOWWUZSRF-IRXDYDNUSA-N 2 2 346.475 1.276 50 0 EDAALP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000237667322 443178421 /nfs/dbraw/zinc/17/84/21/443178421.db2.gz BMIZEZBNEAOXAV-AEFFLSMTSA-N 2 2 331.460 1.345 50 0 EDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237166452 443162544 /nfs/dbraw/zinc/16/25/44/443162544.db2.gz LHSVQMYAZKPTTB-NVXWUHKLSA-N 2 2 331.460 1.857 50 0 EDAALP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000301841310 444193462 /nfs/dbraw/zinc/19/34/62/444193462.db2.gz BMJVPZVRSRHVHB-CYBMUJFWSA-N 2 2 330.436 1.856 50 0 EDAALP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000301841310 444193463 /nfs/dbraw/zinc/19/34/63/444193463.db2.gz BMJVPZVRSRHVHB-CYBMUJFWSA-N 2 2 330.436 1.856 50 0 EDAALP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC000585122143 448700067 /nfs/dbraw/zinc/70/00/67/448700067.db2.gz OMSIXAOMJFUGAH-AWEZNQCLSA-N 2 2 336.480 1.135 50 0 EDAALP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC000585122143 448700073 /nfs/dbraw/zinc/70/00/73/448700073.db2.gz OMSIXAOMJFUGAH-AWEZNQCLSA-N 2 2 336.480 1.135 50 0 EDAALP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCc3cnc(C)o3)[nH+]cn2)C1 ZINC000685941299 539579955 /nfs/dbraw/zinc/57/99/55/539579955.db2.gz CCMAOANMGIVKRY-KBPBESRZSA-N 2 2 346.435 1.540 50 0 EDAALP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000183757375 235217856 /nfs/dbraw/zinc/21/78/56/235217856.db2.gz KZVDWUKZRMRQMR-OAHLLOKOSA-N 2 2 326.466 1.210 50 0 EDAALP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000183757375 235217858 /nfs/dbraw/zinc/21/78/58/235217858.db2.gz KZVDWUKZRMRQMR-OAHLLOKOSA-N 2 2 326.466 1.210 50 0 EDAALP C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023654368 202107101 /nfs/dbraw/zinc/10/71/01/202107101.db2.gz ZPLBGSNLTGOVMY-YJBOKZPZSA-N 2 2 330.432 1.216 50 0 EDAALP C[NH+](C)CCC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000072276167 202361509 /nfs/dbraw/zinc/36/15/09/202361509.db2.gz IEMLADZIPBSYLO-INIZCTEOSA-N 2 2 333.480 1.606 50 0 EDAALP C[NH+](C)CCC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000072276167 202361513 /nfs/dbraw/zinc/36/15/13/202361513.db2.gz IEMLADZIPBSYLO-INIZCTEOSA-N 2 2 333.480 1.606 50 0 EDAALP Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4[nH+]ccn4C3)CC2)[nH+]c1 ZINC000072278705 202361524 /nfs/dbraw/zinc/36/15/24/202361524.db2.gz SYPGJJSBDYYFJH-MRXNPFEDSA-N 2 2 339.443 1.934 50 0 EDAALP Cc1ccc(NC[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)[nH+]c1 ZINC000097200518 201382205 /nfs/dbraw/zinc/38/22/05/201382205.db2.gz QFEKLGTVOUOYQX-CQSZACIVSA-N 2 2 331.420 1.066 50 0 EDAALP Cc1ccc(NC[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)[nH+]c1 ZINC000097200518 201382208 /nfs/dbraw/zinc/38/22/08/201382208.db2.gz QFEKLGTVOUOYQX-CQSZACIVSA-N 2 2 331.420 1.066 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000072428712 203222780 /nfs/dbraw/zinc/22/27/80/203222780.db2.gz PVUKKWHIXYOVNX-MRXNPFEDSA-N 2 2 347.507 1.751 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000072428712 203222784 /nfs/dbraw/zinc/22/27/84/203222784.db2.gz PVUKKWHIXYOVNX-MRXNPFEDSA-N 2 2 347.507 1.751 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000072430668 203223189 /nfs/dbraw/zinc/22/31/89/203223189.db2.gz WCUFJKSKLWRKAZ-OAHLLOKOSA-N 3 2 334.512 1.718 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000072430668 203223193 /nfs/dbraw/zinc/22/31/93/203223193.db2.gz WCUFJKSKLWRKAZ-OAHLLOKOSA-N 3 2 334.512 1.718 50 0 EDAALP C[C@@H](CSc1nnnn1-c1ccccc1)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000097468311 441139189 /nfs/dbraw/zinc/13/91/89/441139189.db2.gz NFQBTRNTQPGJRS-LBPRGKRZSA-N 2 2 341.444 1.924 50 0 EDAALP C[C@@H](CSc1nnnn1-c1ccccc1)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000097468311 441139192 /nfs/dbraw/zinc/13/91/92/441139192.db2.gz NFQBTRNTQPGJRS-LBPRGKRZSA-N 2 2 341.444 1.924 50 0 EDAALP O=C(NCCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000071922287 441197987 /nfs/dbraw/zinc/19/79/87/441197987.db2.gz RSSJUDODKVLUEP-MRXNPFEDSA-N 2 2 335.452 1.170 50 0 EDAALP CC[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000065435571 441432899 /nfs/dbraw/zinc/43/28/99/441432899.db2.gz QMYZIAYESSZZPZ-INIZCTEOSA-N 2 2 332.496 1.905 50 0 EDAALP Cc1ccc(NCCCNC(=O)C2([NH+]3CCOCC3)CCCC2)[nH+]c1 ZINC000085383173 441435475 /nfs/dbraw/zinc/43/54/75/441435475.db2.gz YKWIMLJIWUNUNH-UHFFFAOYSA-N 2 2 346.475 1.953 50 0 EDAALP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000091254299 441688761 /nfs/dbraw/zinc/68/87/61/441688761.db2.gz XQVWOWXKYFGNJP-MRXNPFEDSA-N 2 2 333.480 1.185 50 0 EDAALP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000091254299 441688764 /nfs/dbraw/zinc/68/87/64/441688764.db2.gz XQVWOWXKYFGNJP-MRXNPFEDSA-N 2 2 333.480 1.185 50 0 EDAALP Cc1ccc2cc(C[N@H+]3CCOC[C@@H](C[NH+](C)C)C3)c(=O)[nH]c2c1 ZINC000067886028 441693432 /nfs/dbraw/zinc/69/34/32/441693432.db2.gz OIMJBMHEXBOQSB-HNNXBMFYSA-N 2 2 329.444 1.847 50 0 EDAALP Cc1ccc2cc(C[N@@H+]3CCOC[C@@H](C[NH+](C)C)C3)c(=O)[nH]c2c1 ZINC000067886028 441693435 /nfs/dbraw/zinc/69/34/35/441693435.db2.gz OIMJBMHEXBOQSB-HNNXBMFYSA-N 2 2 329.444 1.847 50 0 EDAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)C2CCOCC2)CC1 ZINC000091518901 441709480 /nfs/dbraw/zinc/70/94/80/441709480.db2.gz BMOQCDAHMRHWAS-UHFFFAOYSA-N 2 2 334.464 1.577 50 0 EDAALP COCC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000095361116 441912566 /nfs/dbraw/zinc/91/25/66/441912566.db2.gz UBLXNZOYVGLAEK-UHFFFAOYSA-N 2 2 345.487 1.657 50 0 EDAALP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000165544185 442210003 /nfs/dbraw/zinc/21/00/03/442210003.db2.gz SXOGEVWATXTVNL-VBQJREDUSA-N 2 2 349.500 1.575 50 0 EDAALP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000165544185 442210006 /nfs/dbraw/zinc/21/00/06/442210006.db2.gz SXOGEVWATXTVNL-VBQJREDUSA-N 2 2 349.500 1.575 50 0 EDAALP COc1ccc([C@@H](CNC(=O)[C@H]2CSC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000195128045 442986128 /nfs/dbraw/zinc/98/61/28/442986128.db2.gz FJJQENXJXFRAGT-HZPDHXFCSA-N 2 2 335.473 1.611 50 0 EDAALP Cn1c(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252540341 443043166 /nfs/dbraw/zinc/04/31/66/443043166.db2.gz PDZSTVYVYMJLNT-GASCZTMLSA-N 3 2 329.452 1.129 50 0 EDAALP Cn1c(CN2CCC(Cn3cc[nH+]c3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252540341 443043169 /nfs/dbraw/zinc/04/31/69/443043169.db2.gz PDZSTVYVYMJLNT-GASCZTMLSA-N 2 2 329.452 1.129 50 0 EDAALP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000329703302 444686221 /nfs/dbraw/zinc/68/62/21/444686221.db2.gz IFWPXGRCPPPYIC-SJORKVTESA-N 2 2 346.475 1.325 50 0 EDAALP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000359471139 446243404 /nfs/dbraw/zinc/24/34/04/446243404.db2.gz IAABZBXGMLOPIN-INIZCTEOSA-N 2 2 345.447 1.587 50 0 EDAALP Cn1cc[nH+]c1-c1cccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000426563444 447472098 /nfs/dbraw/zinc/47/20/98/447472098.db2.gz UYPVFSLWPMHSFQ-QGZVFWFLSA-N 2 2 342.443 1.664 50 0 EDAALP Cn1cc[nH+]c1-c1cccc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000426563444 447472102 /nfs/dbraw/zinc/47/21/02/447472102.db2.gz UYPVFSLWPMHSFQ-QGZVFWFLSA-N 2 2 342.443 1.664 50 0 EDAALP Cn1cc[nH+]c1-c1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000426563443 447472168 /nfs/dbraw/zinc/47/21/68/447472168.db2.gz UYPVFSLWPMHSFQ-KRWDZBQOSA-N 2 2 342.443 1.664 50 0 EDAALP Cn1cc[nH+]c1-c1cccc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000426563443 447472173 /nfs/dbraw/zinc/47/21/73/447472173.db2.gz UYPVFSLWPMHSFQ-KRWDZBQOSA-N 2 2 342.443 1.664 50 0 EDAALP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC000585116068 448697110 /nfs/dbraw/zinc/69/71/10/448697110.db2.gz GBLKOSIQKFMQCL-CRAIPNDOSA-N 2 2 325.497 1.412 50 0 EDAALP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC000585116068 448697117 /nfs/dbraw/zinc/69/71/17/448697117.db2.gz GBLKOSIQKFMQCL-CRAIPNDOSA-N 2 2 325.497 1.412 50 0 EDAALP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000848549497 595404681 /nfs/dbraw/zinc/40/46/81/595404681.db2.gz PXRQNBMLANLDBE-AXHNFQJDSA-N 2 2 348.443 1.680 50 0 EDAALP C(C[NH2+]C[C@@H]1COC2(CCCC2)O1)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000019996045 202029458 /nfs/dbraw/zinc/02/94/58/202029458.db2.gz HHAHKYISQVFGKB-HZPDHXFCSA-N 2 2 340.464 1.537 50 0 EDAALP C[C@@H](O)C1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000215750744 241142191 /nfs/dbraw/zinc/14/21/91/241142191.db2.gz YKNPEZSNBIXNRO-QGZVFWFLSA-N 2 2 348.487 1.990 50 0 EDAALP Cc1nc([C@H]2C[C@@H](O)C2)cc(N2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000244695604 243059420 /nfs/dbraw/zinc/05/94/20/243059420.db2.gz JPHSWWRYMBGAPK-IYBDPMFKSA-N 2 2 345.491 1.240 50 0 EDAALP Cc1nc([C@H]2C[C@@H](O)C2)cc(N2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000244695604 243059425 /nfs/dbraw/zinc/05/94/25/243059425.db2.gz JPHSWWRYMBGAPK-IYBDPMFKSA-N 2 2 345.491 1.240 50 0 EDAALP CCc1nn2c(nc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2=O)s1 ZINC000072162387 203178166 /nfs/dbraw/zinc/17/81/66/203178166.db2.gz YWBHCRRGECNEML-CYBMUJFWSA-N 2 2 335.477 1.630 50 0 EDAALP CCc1nn2c(nc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2=O)s1 ZINC000072162387 203178168 /nfs/dbraw/zinc/17/81/68/203178168.db2.gz YWBHCRRGECNEML-CYBMUJFWSA-N 2 2 335.477 1.630 50 0 EDAALP Nc1nc(N2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)cc[nH+]1 ZINC000072453961 203227339 /nfs/dbraw/zinc/22/73/39/203227339.db2.gz GQBZOCDCMCYQBE-AWEZNQCLSA-N 2 2 331.395 1.271 50 0 EDAALP Nc1nc(N2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)cc[nH+]1 ZINC000072453961 203227341 /nfs/dbraw/zinc/22/73/41/203227341.db2.gz GQBZOCDCMCYQBE-AWEZNQCLSA-N 2 2 331.395 1.271 50 0 EDAALP OCCOc1cccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077378988 203385062 /nfs/dbraw/zinc/38/50/62/203385062.db2.gz XEQURVOSAUWOIN-LJQANCHMSA-N 2 2 334.460 1.480 50 0 EDAALP OCCOc1cccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077378988 203385065 /nfs/dbraw/zinc/38/50/65/203385065.db2.gz XEQURVOSAUWOIN-LJQANCHMSA-N 2 2 334.460 1.480 50 0 EDAALP C[NH+]1CC23CN(C(=O)C[C@H]4CCc5ccccc54)CC2(C1)C[NH+](C)C3 ZINC000091468943 277022999 /nfs/dbraw/zinc/02/29/99/277022999.db2.gz YZEBYJDEIAHGLM-MDMXATFFSA-N 2 2 339.483 1.812 50 0 EDAALP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000044954838 440925984 /nfs/dbraw/zinc/92/59/84/440925984.db2.gz NPHCHTPGTPQUQQ-ZFWWWQNUSA-N 2 2 340.493 1.371 50 0 EDAALP Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(N)[nH+]1 ZINC000045723684 441023567 /nfs/dbraw/zinc/02/35/67/441023567.db2.gz QFBIUZPXMMEVIA-UHFFFAOYSA-N 2 2 327.388 1.418 50 0 EDAALP Cc1[nH]c(C[N@@H+]2CCC3(CCN(C(=O)C4CC4)CC3)[C@@H](CO)C2)c[nH+]1 ZINC000097572364 441142008 /nfs/dbraw/zinc/14/20/08/441142008.db2.gz HVMIXFVNJYMDFO-MRXNPFEDSA-N 2 2 346.475 1.551 50 0 EDAALP Cc1[nH]c(C[N@H+]2CCC3(CCN(C(=O)C4CC4)CC3)[C@@H](CO)C2)c[nH+]1 ZINC000097572364 441142011 /nfs/dbraw/zinc/14/20/11/441142011.db2.gz HVMIXFVNJYMDFO-MRXNPFEDSA-N 2 2 346.475 1.551 50 0 EDAALP C[NH+]1CCN(c2cc(-c3ccc4c(c3)OC(F)(F)O4)[nH+]c(N)n2)CC1 ZINC000097637841 441143038 /nfs/dbraw/zinc/14/30/38/441143038.db2.gz GVACBQFNHGXWTC-UHFFFAOYSA-N 2 2 349.341 1.799 50 0 EDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000082137559 441336589 /nfs/dbraw/zinc/33/65/89/441336589.db2.gz TUJUHYHNYMNNQR-UHFFFAOYSA-N 3 2 346.523 1.825 50 0 EDAALP Cc1cn2cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)CC3)ccc2[nH+]1 ZINC000082157036 441337728 /nfs/dbraw/zinc/33/77/28/441337728.db2.gz MKEFVCMNPNNASA-GOSISDBHSA-N 2 2 330.432 1.562 50 0 EDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000082161183 441337921 /nfs/dbraw/zinc/33/79/21/441337921.db2.gz FEZADAZTGFJYKC-UHFFFAOYSA-N 2 2 348.495 1.337 50 0 EDAALP COc1cc[nH+]c(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1OC ZINC000106995391 441396631 /nfs/dbraw/zinc/39/66/31/441396631.db2.gz ZYJSOAYUIKPOEA-OAHLLOKOSA-N 2 2 337.464 1.623 50 0 EDAALP COc1cc[nH+]c(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1OC ZINC000106995391 441396636 /nfs/dbraw/zinc/39/66/36/441396636.db2.gz ZYJSOAYUIKPOEA-OAHLLOKOSA-N 2 2 337.464 1.623 50 0 EDAALP COc1cc(C)c(C[NH+]2CCN(c3cc(N)[nH+]c(N)n3)CC2)cc1C ZINC000065394258 441424302 /nfs/dbraw/zinc/42/43/02/441424302.db2.gz KWMICKQVSXFRHR-UHFFFAOYSA-N 2 2 342.447 1.589 50 0 EDAALP Cc1ccccc1[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000065432678 441433297 /nfs/dbraw/zinc/43/32/97/441433297.db2.gz JLBIGHNPKCFJNE-LJQANCHMSA-N 2 2 345.487 1.921 50 0 EDAALP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H](C)c3[nH]cc[nH+]3)cnn2c1 ZINC000067785328 441679950 /nfs/dbraw/zinc/67/99/50/441679950.db2.gz NSKGYQONOWALJT-LBPRGKRZSA-N 2 2 341.419 1.785 50 0 EDAALP C[N@H+](CCO)C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1CO ZINC000091391302 441698698 /nfs/dbraw/zinc/69/86/98/441698698.db2.gz NZPKZDIHOZJQKV-VXGBXAGGSA-N 2 2 333.354 1.069 50 0 EDAALP C[N@@H+](CCO)C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1CO ZINC000091391302 441698699 /nfs/dbraw/zinc/69/86/99/441698699.db2.gz NZPKZDIHOZJQKV-VXGBXAGGSA-N 2 2 333.354 1.069 50 0 EDAALP CN(C)c1cccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000095967670 441962976 /nfs/dbraw/zinc/96/29/76/441962976.db2.gz VHGJSHSHKQEUHL-UHFFFAOYSA-N 2 2 346.519 1.639 50 0 EDAALP CN(C)c1cccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000095967670 441962978 /nfs/dbraw/zinc/96/29/78/441962978.db2.gz VHGJSHSHKQEUHL-UHFFFAOYSA-N 2 2 346.519 1.639 50 0 EDAALP CCn1c(C[NH+](C)C)nnc1C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000096141766 442043566 /nfs/dbraw/zinc/04/35/66/442043566.db2.gz LCRJTXCWCRGNDY-UHFFFAOYSA-N 2 2 344.467 1.424 50 0 EDAALP Cn1cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000097033920 442158336 /nfs/dbraw/zinc/15/83/36/442158336.db2.gz OMZGVEJDDDKBKO-UHFFFAOYSA-N 2 2 347.507 1.458 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000170885389 442283112 /nfs/dbraw/zinc/28/31/12/442283112.db2.gz OJYKUJLXEYOPID-KRWDZBQOSA-N 2 2 349.479 1.586 50 0 EDAALP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000170885389 442283115 /nfs/dbraw/zinc/28/31/15/442283115.db2.gz OJYKUJLXEYOPID-KRWDZBQOSA-N 2 2 349.479 1.586 50 0 EDAALP O=C1C[C@@H]([NH2+]Cc2ccccc2Cl)CN1CC[NH+]1CCOCC1 ZINC000172698090 442522518 /nfs/dbraw/zinc/52/25/18/442522518.db2.gz DCKCLKNVWCGNDU-OAHLLOKOSA-N 2 2 337.851 1.363 50 0 EDAALP COC(=O)[C@H]([N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1(OC)CCC1 ZINC000253430875 443068391 /nfs/dbraw/zinc/06/83/91/443068391.db2.gz SOJCAWWNLWEPGO-ZBFHGGJFSA-N 2 2 333.432 1.926 50 0 EDAALP COC(=O)[C@H]([N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1(OC)CCC1 ZINC000253430875 443068392 /nfs/dbraw/zinc/06/83/92/443068392.db2.gz SOJCAWWNLWEPGO-ZBFHGGJFSA-N 2 2 333.432 1.926 50 0 EDAALP O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000229653790 443130258 /nfs/dbraw/zinc/13/02/58/443130258.db2.gz GOXGJVMPLTZNPB-IRXDYDNUSA-N 2 2 339.443 1.764 50 0 EDAALP O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000229653790 443130263 /nfs/dbraw/zinc/13/02/63/443130263.db2.gz GOXGJVMPLTZNPB-IRXDYDNUSA-N 2 2 339.443 1.764 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000229653790 443130266 /nfs/dbraw/zinc/13/02/66/443130266.db2.gz GOXGJVMPLTZNPB-IRXDYDNUSA-N 2 2 339.443 1.764 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000229653790 443130269 /nfs/dbraw/zinc/13/02/69/443130269.db2.gz GOXGJVMPLTZNPB-IRXDYDNUSA-N 2 2 339.443 1.764 50 0 EDAALP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237448950 443171877 /nfs/dbraw/zinc/17/18/77/443171877.db2.gz PYRAMXXAKFTVEX-YJBOKZPZSA-N 2 2 331.460 1.861 50 0 EDAALP Cc1cc2n(n1)C[C@@H](C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)CN2 ZINC000058296090 201141857 /nfs/dbraw/zinc/14/18/57/201141857.db2.gz KCCYQMSYPCNNFF-KRWDZBQOSA-N 2 2 340.475 1.882 50 0 EDAALP c1ccc(OCC[NH+]2CCOCC2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000216394170 241188790 /nfs/dbraw/zinc/18/87/90/241188790.db2.gz WDYGCOYKKYISHT-HDICACEKSA-N 3 2 331.460 1.049 50 0 EDAALP c1ccc(OCC[NH+]2CCOCC2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000216394170 241188793 /nfs/dbraw/zinc/18/87/93/241188793.db2.gz WDYGCOYKKYISHT-HDICACEKSA-N 3 2 331.460 1.049 50 0 EDAALP O=C([C@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCCC1 ZINC000071551727 203100014 /nfs/dbraw/zinc/10/00/14/203100014.db2.gz LNBGFJXBLAMUKC-INIZCTEOSA-N 2 2 345.491 1.709 50 0 EDAALP O=C([C@H]1CCC[N@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCCC1 ZINC000071551727 203100018 /nfs/dbraw/zinc/10/00/18/203100018.db2.gz LNBGFJXBLAMUKC-INIZCTEOSA-N 2 2 345.491 1.709 50 0 EDAALP O=C([C@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCCC1 ZINC000071551727 203100022 /nfs/dbraw/zinc/10/00/22/203100022.db2.gz LNBGFJXBLAMUKC-INIZCTEOSA-N 2 2 345.491 1.709 50 0 EDAALP O=C([C@H]1CCC[N@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCCC1 ZINC000071551727 203100026 /nfs/dbraw/zinc/10/00/26/203100026.db2.gz LNBGFJXBLAMUKC-INIZCTEOSA-N 2 2 345.491 1.709 50 0 EDAALP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072138956 203167914 /nfs/dbraw/zinc/16/79/14/203167914.db2.gz GAKUJAUWWDYZKB-IBGZPJMESA-N 2 2 342.443 1.791 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072481271 203233162 /nfs/dbraw/zinc/23/31/62/203233162.db2.gz YBLIUAQSSCWWKI-OAHLLOKOSA-N 2 2 347.507 1.894 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072481271 203233164 /nfs/dbraw/zinc/23/31/64/203233164.db2.gz YBLIUAQSSCWWKI-OAHLLOKOSA-N 2 2 347.507 1.894 50 0 EDAALP CS(=O)(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000073276716 203262899 /nfs/dbraw/zinc/26/28/99/203262899.db2.gz ZUBXUSCIVAKDAT-UHFFFAOYSA-N 2 2 334.445 1.386 50 0 EDAALP O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000091872549 218081656 /nfs/dbraw/zinc/08/16/56/218081656.db2.gz XXXATYQRIRJFLD-LJQANCHMSA-N 2 2 346.475 1.767 50 0 EDAALP O=C1N(C2CCOCC2)CCC[C@]12CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000091872549 218081659 /nfs/dbraw/zinc/08/16/59/218081659.db2.gz XXXATYQRIRJFLD-LJQANCHMSA-N 2 2 346.475 1.767 50 0 EDAALP Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)CN2 ZINC000058428875 278762526 /nfs/dbraw/zinc/76/25/26/278762526.db2.gz XKKFBGBQQILOJM-MSOLQXFVSA-N 2 2 327.476 1.996 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H](C)O1 ZINC000044953771 440926160 /nfs/dbraw/zinc/92/61/60/440926160.db2.gz BROIMODZKMSGPV-ZIAGYGMSSA-N 2 2 335.452 1.056 50 0 EDAALP Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)cn1 ZINC000084318620 441392422 /nfs/dbraw/zinc/39/24/22/441392422.db2.gz MGJQWLZASHOUPZ-DZGCQCFKSA-N 2 2 328.420 1.279 50 0 EDAALP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC000065383219 441421826 /nfs/dbraw/zinc/42/18/26/441421826.db2.gz KZYLVUUQBAKTPX-QGZVFWFLSA-N 2 2 339.443 1.115 50 0 EDAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC000065383219 441421832 /nfs/dbraw/zinc/42/18/32/441421832.db2.gz KZYLVUUQBAKTPX-QGZVFWFLSA-N 2 2 339.443 1.115 50 0 EDAALP O=C(CC1=CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000065383457 441422198 /nfs/dbraw/zinc/42/21/98/441422198.db2.gz OVQYANCVGIELQJ-UHFFFAOYSA-N 2 2 329.444 1.133 50 0 EDAALP Cc1ccccc1[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000065432674 441433203 /nfs/dbraw/zinc/43/32/03/441433203.db2.gz JLBIGHNPKCFJNE-IBGZPJMESA-N 2 2 345.487 1.921 50 0 EDAALP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+]1CCOC[C@@H]1C ZINC000110700132 441523008 /nfs/dbraw/zinc/52/30/08/441523008.db2.gz NYEIRDXYJUNHIT-CABCVRRESA-N 2 2 325.497 1.865 50 0 EDAALP C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH+]1CCOC[C@@H]1C ZINC000110700132 441523010 /nfs/dbraw/zinc/52/30/10/441523010.db2.gz NYEIRDXYJUNHIT-CABCVRRESA-N 2 2 325.497 1.865 50 0 EDAALP C[C@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)[N@@H+]1CCOC[C@@H]1C ZINC000110700132 441523013 /nfs/dbraw/zinc/52/30/13/441523013.db2.gz NYEIRDXYJUNHIT-CABCVRRESA-N 2 2 325.497 1.865 50 0 EDAALP C[C@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)[N@H+]1CCOC[C@@H]1C ZINC000110700132 441523014 /nfs/dbraw/zinc/52/30/14/441523014.db2.gz NYEIRDXYJUNHIT-CABCVRRESA-N 2 2 325.497 1.865 50 0 EDAALP Cc1cc(NC(=O)C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)n(C)n1 ZINC000076019788 441579665 /nfs/dbraw/zinc/57/96/65/441579665.db2.gz TWOLOGUHHLBUDX-UHFFFAOYSA-N 2 2 342.447 1.947 50 0 EDAALP CCc1[nH]c(C[N@@H+]2CC[C@@H](CNC(=O)c3cccnc3)C2)c(C)[nH+]1 ZINC000067649540 441662950 /nfs/dbraw/zinc/66/29/50/441662950.db2.gz OJRXDFBEFQPYDF-AWEZNQCLSA-N 2 2 327.432 1.927 50 0 EDAALP CCc1[nH]c(C[N@H+]2CC[C@@H](CNC(=O)c3cccnc3)C2)c(C)[nH+]1 ZINC000067649540 441662964 /nfs/dbraw/zinc/66/29/64/441662964.db2.gz OJRXDFBEFQPYDF-AWEZNQCLSA-N 2 2 327.432 1.927 50 0 EDAALP COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000067975181 441702917 /nfs/dbraw/zinc/70/29/17/441702917.db2.gz OMSOZZRJUFSAFK-CJNGLKHVSA-N 2 2 344.415 1.118 50 0 EDAALP COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000067975181 441702921 /nfs/dbraw/zinc/70/29/21/441702921.db2.gz OMSOZZRJUFSAFK-CJNGLKHVSA-N 2 2 344.415 1.118 50 0 EDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000091493123 441707324 /nfs/dbraw/zinc/70/73/24/441707324.db2.gz FHSFPDIGMUOXET-INIZCTEOSA-N 2 2 347.850 1.277 50 0 EDAALP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000159133438 441790397 /nfs/dbraw/zinc/79/03/97/441790397.db2.gz XCXPKVBHEBXLMT-KRWDZBQOSA-N 2 2 345.491 1.641 50 0 EDAALP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000159133438 441790400 /nfs/dbraw/zinc/79/04/00/441790400.db2.gz XCXPKVBHEBXLMT-KRWDZBQOSA-N 2 2 345.491 1.641 50 0 EDAALP Cc1cccc([C@H](C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000095380753 441916450 /nfs/dbraw/zinc/91/64/50/441916450.db2.gz CHAZNBHZZKEMJB-GOSISDBHSA-N 2 2 346.519 1.740 50 0 EDAALP C[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000095414319 441924640 /nfs/dbraw/zinc/92/46/40/441924640.db2.gz DLABCRNZUWLPOR-MOPGFXCFSA-N 2 2 343.471 1.440 50 0 EDAALP C[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000095414319 441924641 /nfs/dbraw/zinc/92/46/41/441924641.db2.gz DLABCRNZUWLPOR-MOPGFXCFSA-N 2 2 343.471 1.440 50 0 EDAALP Cc1[nH+]ccn1-c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cn1 ZINC000095978324 441967282 /nfs/dbraw/zinc/96/72/82/441967282.db2.gz NBBWXAYHZCFCHU-AWEZNQCLSA-N 2 2 331.445 1.952 50 0 EDAALP Cc1[nH+]ccn1-c1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000095978324 441967288 /nfs/dbraw/zinc/96/72/88/441967288.db2.gz NBBWXAYHZCFCHU-AWEZNQCLSA-N 2 2 331.445 1.952 50 0 EDAALP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000097212735 442187506 /nfs/dbraw/zinc/18/75/06/442187506.db2.gz FEWCUIWWTWVWQC-QGZVFWFLSA-N 2 2 345.487 1.933 50 0 EDAALP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000097212735 442187511 /nfs/dbraw/zinc/18/75/11/442187511.db2.gz FEWCUIWWTWVWQC-QGZVFWFLSA-N 2 2 345.487 1.933 50 0 EDAALP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000167508443 442221432 /nfs/dbraw/zinc/22/14/32/442221432.db2.gz HVFAMHPZEJSYDJ-HKUYNNGSSA-N 2 2 345.487 1.736 50 0 EDAALP C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[NH+]1CCSCC1 ZINC000179158795 442585968 /nfs/dbraw/zinc/58/59/68/442585968.db2.gz HFPUESVDTQOVJK-HNNXBMFYSA-N 2 2 348.516 1.600 50 0 EDAALP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3ccccn3)CC2)C1 ZINC000248866429 442931751 /nfs/dbraw/zinc/93/17/51/442931751.db2.gz QDVJUMYKONDTQH-IAGOWNOFSA-N 2 2 345.491 1.954 50 0 EDAALP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3ccccn3)CC2)C1 ZINC000248866429 442931757 /nfs/dbraw/zinc/93/17/57/442931757.db2.gz QDVJUMYKONDTQH-IAGOWNOFSA-N 2 2 345.491 1.954 50 0 EDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000195135850 442988676 /nfs/dbraw/zinc/98/86/76/442988676.db2.gz ISXWUPUVLBONEH-HNNXBMFYSA-N 2 2 335.423 1.478 50 0 EDAALP O=C(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)NCC(F)F ZINC000252507926 443037728 /nfs/dbraw/zinc/03/77/28/443037728.db2.gz WXKUBIMIGNGXBP-UHFFFAOYSA-N 2 2 343.393 1.804 50 0 EDAALP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000215466250 443055174 /nfs/dbraw/zinc/05/51/74/443055174.db2.gz VOUCVEGXEWUIAE-HDICACEKSA-N 3 2 331.460 1.049 50 0 EDAALP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000215466250 443055181 /nfs/dbraw/zinc/05/51/81/443055181.db2.gz VOUCVEGXEWUIAE-HDICACEKSA-N 3 2 331.460 1.049 50 0 EDAALP C[C@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229369084 443127496 /nfs/dbraw/zinc/12/74/96/443127496.db2.gz UBABIKQPKFHGIB-QFBILLFUSA-N 2 2 328.460 1.834 50 0 EDAALP C[C@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229369084 443127499 /nfs/dbraw/zinc/12/74/99/443127499.db2.gz UBABIKQPKFHGIB-QFBILLFUSA-N 2 2 328.460 1.834 50 0 EDAALP Cc1[nH+]ccn1[C@@H](C)C(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000426595078 447478310 /nfs/dbraw/zinc/47/83/10/447478310.db2.gz SDIKQTPCURGHLR-HNNXBMFYSA-N 2 2 327.432 1.800 50 0 EDAALP Cn1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000023338967 202102060 /nfs/dbraw/zinc/10/20/60/202102060.db2.gz MVAPLNVJSJXAKM-MRXNPFEDSA-N 2 2 345.491 1.375 50 0 EDAALP Cn1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000023338967 202102062 /nfs/dbraw/zinc/10/20/62/202102062.db2.gz MVAPLNVJSJXAKM-MRXNPFEDSA-N 2 2 345.491 1.375 50 0 EDAALP Cc1ccc(NC[C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)[nH+]c1 ZINC000097200830 201381976 /nfs/dbraw/zinc/38/19/76/201381976.db2.gz OGUHQCSGFHVENM-CQSZACIVSA-N 2 2 345.447 1.454 50 0 EDAALP Cc1ccc(NC[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)[nH+]c1 ZINC000097200830 201381979 /nfs/dbraw/zinc/38/19/79/201381979.db2.gz OGUHQCSGFHVENM-CQSZACIVSA-N 2 2 345.447 1.454 50 0 EDAALP O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000230251053 242255319 /nfs/dbraw/zinc/25/53/19/242255319.db2.gz LHDHFVFDOFTWTM-IAGOWNOFSA-N 2 2 344.459 1.374 50 0 EDAALP O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000230251053 242255325 /nfs/dbraw/zinc/25/53/25/242255325.db2.gz LHDHFVFDOFTWTM-IAGOWNOFSA-N 2 2 344.459 1.374 50 0 EDAALP CCCNC(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000070703359 203080165 /nfs/dbraw/zinc/08/01/65/203080165.db2.gz PNAYDNJCQNSFNW-UHFFFAOYSA-N 2 2 341.459 1.516 50 0 EDAALP COc1cccc(OC)c1OCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072151343 203173816 /nfs/dbraw/zinc/17/38/16/203173816.db2.gz QNUYFIKMXSDMSD-GOSISDBHSA-N 2 2 338.448 1.471 50 0 EDAALP COc1cccc(OC)c1OCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072151343 203173820 /nfs/dbraw/zinc/17/38/20/203173820.db2.gz QNUYFIKMXSDMSD-GOSISDBHSA-N 2 2 338.448 1.471 50 0 EDAALP CCc1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)c(C)[nH+]1 ZINC000072462882 203227743 /nfs/dbraw/zinc/22/77/43/203227743.db2.gz XJQJGFSMYQJRFP-DOTOQJQBSA-N 2 2 348.491 1.866 50 0 EDAALP CCc1[nH]c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)c(C)[nH+]1 ZINC000072462882 203227745 /nfs/dbraw/zinc/22/77/45/203227745.db2.gz XJQJGFSMYQJRFP-DOTOQJQBSA-N 2 2 348.491 1.866 50 0 EDAALP CC(C)Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)n[nH]1 ZINC000072420191 203219014 /nfs/dbraw/zinc/21/90/14/203219014.db2.gz GBVZKMFWCSACSS-MAUKXSAKSA-N 2 2 347.507 1.770 50 0 EDAALP CC(C)Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)n[nH]1 ZINC000072420191 203219016 /nfs/dbraw/zinc/21/90/16/203219016.db2.gz GBVZKMFWCSACSS-MAUKXSAKSA-N 2 2 347.507 1.770 50 0 EDAALP c1cn(CCc2c[nH+]c3ccccn23)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072432191 203223540 /nfs/dbraw/zinc/22/35/40/203223540.db2.gz WUUAPOUWNMQOFJ-UHFFFAOYSA-N 2 2 333.399 1.740 50 0 EDAALP O[C@]1(C[N@H+](CCc2ccccc2)Cc2ccccn2)C[NH2+]CCOC1 ZINC000077357719 203383815 /nfs/dbraw/zinc/38/38/15/203383815.db2.gz LNOKJIJEZMKYFQ-FQEVSTJZSA-N 2 2 341.455 1.477 50 0 EDAALP O[C@]1(C[N@@H+](CCc2ccccc2)Cc2ccccn2)C[NH2+]CCOC1 ZINC000077357719 203383817 /nfs/dbraw/zinc/38/38/17/203383817.db2.gz LNOKJIJEZMKYFQ-FQEVSTJZSA-N 2 2 341.455 1.477 50 0 EDAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)o1 ZINC000077379639 203385314 /nfs/dbraw/zinc/38/53/14/203385314.db2.gz MJCCHACDDVTPPA-UHFFFAOYSA-N 2 2 347.463 1.520 50 0 EDAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)o1 ZINC000077379639 203385318 /nfs/dbraw/zinc/38/53/18/203385318.db2.gz MJCCHACDDVTPPA-UHFFFAOYSA-N 2 2 347.463 1.520 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000077439034 203388658 /nfs/dbraw/zinc/38/86/58/203388658.db2.gz PHPPJKUNNDSUOK-UHFFFAOYSA-N 2 2 347.507 1.894 50 0 EDAALP C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccncc2)C[C@H]1CCCO ZINC000091426684 218004500 /nfs/dbraw/zinc/00/45/00/218004500.db2.gz BEGOLUACYMSXLD-MSOLQXFVSA-N 2 2 348.491 1.065 50 0 EDAALP C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccncc2)C[C@H]1CCCO ZINC000091426684 218004503 /nfs/dbraw/zinc/00/45/03/218004503.db2.gz BEGOLUACYMSXLD-MSOLQXFVSA-N 2 2 348.491 1.065 50 0 EDAALP C[NH+]1CCC(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC000095414318 218352088 /nfs/dbraw/zinc/35/20/88/218352088.db2.gz DLABCRNZUWLPOR-RBUKOAKNSA-N 2 2 343.471 1.440 50 0 EDAALP C[NH+]1CCC(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC000095414318 218352091 /nfs/dbraw/zinc/35/20/91/218352091.db2.gz DLABCRNZUWLPOR-RBUKOAKNSA-N 2 2 343.471 1.440 50 0 EDAALP C[N@@H+](CC(N)=O)C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000282183265 257939495 /nfs/dbraw/zinc/93/94/95/257939495.db2.gz GMHKGLKPCJXMQV-ZDUSSCGKSA-N 2 2 348.834 1.511 50 0 EDAALP C[N@H+](CC(N)=O)C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000282183265 257939496 /nfs/dbraw/zinc/93/94/96/257939496.db2.gz GMHKGLKPCJXMQV-ZDUSSCGKSA-N 2 2 348.834 1.511 50 0 EDAALP C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)c1[nH]nc2c1C[N@H+](C)CC2 ZINC000299788268 258095046 /nfs/dbraw/zinc/09/50/46/258095046.db2.gz XZIVBJJADOXEOP-OAHLLOKOSA-N 2 2 339.443 1.184 50 0 EDAALP C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)c1[nH]nc2c1C[N@@H+](C)CC2 ZINC000299788268 258095047 /nfs/dbraw/zinc/09/50/47/258095047.db2.gz XZIVBJJADOXEOP-OAHLLOKOSA-N 2 2 339.443 1.184 50 0 EDAALP C[NH+]1CCc2n[nH]c(C(=O)NC[C@H]3Cc4ccccc4C[N@@H+]3C)c2C1 ZINC000299788268 258095048 /nfs/dbraw/zinc/09/50/48/258095048.db2.gz XZIVBJJADOXEOP-OAHLLOKOSA-N 2 2 339.443 1.184 50 0 EDAALP C[NH+]1CCc2n[nH]c(C(=O)NC[C@H]3Cc4ccccc4C[N@H+]3C)c2C1 ZINC000299788268 258095050 /nfs/dbraw/zinc/09/50/50/258095050.db2.gz XZIVBJJADOXEOP-OAHLLOKOSA-N 2 2 339.443 1.184 50 0 EDAALP [NH3+]CCOc1ccc(F)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000426401708 447435914 /nfs/dbraw/zinc/43/59/14/447435914.db2.gz IRKDRKXRKROWMK-LBPRGKRZSA-N 2 2 332.379 1.906 50 0 EDAALP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045426524 440983655 /nfs/dbraw/zinc/98/36/55/440983655.db2.gz UOOQOPJNYNBRJQ-JKSUJKDBSA-N 2 2 327.432 1.803 50 0 EDAALP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045426524 440983660 /nfs/dbraw/zinc/98/36/60/440983660.db2.gz UOOQOPJNYNBRJQ-JKSUJKDBSA-N 2 2 327.432 1.803 50 0 EDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000047029143 441150834 /nfs/dbraw/zinc/15/08/34/441150834.db2.gz HRMVIOULCBLMCC-CQSZACIVSA-N 2 2 333.461 1.861 50 0 EDAALP CC(C)[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153871 441328149 /nfs/dbraw/zinc/32/81/49/441328149.db2.gz HILJEMNSEXOFBA-BFYDXBDKSA-N 2 2 348.491 1.898 50 0 EDAALP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000065404011 441426220 /nfs/dbraw/zinc/42/62/20/441426220.db2.gz YMIVQUWDHXEIOS-HOCLYGCPSA-N 2 2 345.447 1.882 50 0 EDAALP COCC[N@@H+]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000065444250 441434787 /nfs/dbraw/zinc/43/47/87/441434787.db2.gz MEWRPLAQPQOGDM-UHFFFAOYSA-N 2 2 345.447 1.241 50 0 EDAALP COCC[N@H+]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000065444250 441434791 /nfs/dbraw/zinc/43/47/91/441434791.db2.gz MEWRPLAQPQOGDM-UHFFFAOYSA-N 2 2 345.447 1.241 50 0 EDAALP O[C@H]1CCN(c2cc[nH+]c(NCC[N@@H+]3CCc4ccccc4C3)n2)C1 ZINC000065463609 441439432 /nfs/dbraw/zinc/43/94/32/441439432.db2.gz ONPOKNAQCRVYRA-KRWDZBQOSA-N 2 2 339.443 1.518 50 0 EDAALP O[C@H]1CCN(c2cc[nH+]c(NCC[N@H+]3CCc4ccccc4C3)n2)C1 ZINC000065463609 441439435 /nfs/dbraw/zinc/43/94/35/441439435.db2.gz ONPOKNAQCRVYRA-KRWDZBQOSA-N 2 2 339.443 1.518 50 0 EDAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21)C(=O)N1CCOCC1 ZINC000089420180 441549414 /nfs/dbraw/zinc/54/94/14/441549414.db2.gz UYGUMQSWHUCNEG-CABCVRRESA-N 2 2 348.491 1.895 50 0 EDAALP OC[C@H]1COCC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000077564445 441806090 /nfs/dbraw/zinc/80/60/90/441806090.db2.gz WHLJYJKIFNMUCK-KRWDZBQOSA-N 2 2 331.416 1.403 50 0 EDAALP OC[C@H]1COCC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000077564445 441806099 /nfs/dbraw/zinc/80/60/99/441806099.db2.gz WHLJYJKIFNMUCK-KRWDZBQOSA-N 2 2 331.416 1.403 50 0 EDAALP CC(C)[NH+]1CCC(CC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000095368894 441914301 /nfs/dbraw/zinc/91/43/01/441914301.db2.gz OURPYQZKABEDSF-UHFFFAOYSA-N 2 2 347.507 1.575 50 0 EDAALP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 ZINC000095967685 441963261 /nfs/dbraw/zinc/96/32/61/441963261.db2.gz NNBOPTVURRHATI-PBHICJAKSA-N 2 2 339.505 1.697 50 0 EDAALP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 ZINC000095967685 441963263 /nfs/dbraw/zinc/96/32/63/441963263.db2.gz NNBOPTVURRHATI-PBHICJAKSA-N 2 2 339.505 1.697 50 0 EDAALP O=C([C@@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000096151164 442046353 /nfs/dbraw/zinc/04/63/53/442046353.db2.gz QTABQAXXLQRGGI-QGZVFWFLSA-N 2 2 339.443 1.642 50 0 EDAALP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCS(N)(=O)=O ZINC000079442986 442047730 /nfs/dbraw/zinc/04/77/30/442047730.db2.gz SREVEIPEEDBUJH-HOCLYGCPSA-N 2 2 325.478 1.117 50 0 EDAALP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCS(N)(=O)=O ZINC000079442986 442047733 /nfs/dbraw/zinc/04/77/33/442047733.db2.gz SREVEIPEEDBUJH-HOCLYGCPSA-N 2 2 325.478 1.117 50 0 EDAALP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCS(N)(=O)=O ZINC000079442986 442047736 /nfs/dbraw/zinc/04/77/36/442047736.db2.gz SREVEIPEEDBUJH-HOCLYGCPSA-N 2 2 325.478 1.117 50 0 EDAALP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCS(N)(=O)=O ZINC000079442986 442047739 /nfs/dbraw/zinc/04/77/39/442047739.db2.gz SREVEIPEEDBUJH-HOCLYGCPSA-N 2 2 325.478 1.117 50 0 EDAALP CCCCSc1nc(N2CCN3CC[N@H+](C)C[C@H]3C2)cc(N)[nH+]1 ZINC000243956945 443212746 /nfs/dbraw/zinc/21/27/46/443212746.db2.gz CEQSUFWXUFOPDW-ZDUSSCGKSA-N 2 2 336.509 1.387 50 0 EDAALP CCCCSc1nc(N2CCN3CC[N@@H+](C)C[C@H]3C2)cc(N)[nH+]1 ZINC000243956945 443212748 /nfs/dbraw/zinc/21/27/48/443212748.db2.gz CEQSUFWXUFOPDW-ZDUSSCGKSA-N 2 2 336.509 1.387 50 0 EDAALP COc1ccc2[nH]c(CCN(C)C(=O)NC[C@@H](C)C[NH+](C)C)[nH+]c2c1 ZINC000534676020 448465549 /nfs/dbraw/zinc/46/55/49/448465549.db2.gz XBJKVMOYVBUEGX-CYBMUJFWSA-N 2 2 347.463 1.953 50 0 EDAALP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CSC[NH2+]1 ZINC000170049145 486168967 /nfs/dbraw/zinc/16/89/67/486168967.db2.gz QWRMMUSFPDUFIY-CQSZACIVSA-N 2 2 327.494 1.048 50 0 EDAALP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939925 539576520 /nfs/dbraw/zinc/57/65/20/539576520.db2.gz DZSYONLKKQDEML-GDBMZVCRSA-N 2 2 332.448 1.187 50 0 EDAALP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939925 539576524 /nfs/dbraw/zinc/57/65/24/539576524.db2.gz DZSYONLKKQDEML-GDBMZVCRSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939925 539576529 /nfs/dbraw/zinc/57/65/29/539576529.db2.gz DZSYONLKKQDEML-GDBMZVCRSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939925 539576533 /nfs/dbraw/zinc/57/65/33/539576533.db2.gz DZSYONLKKQDEML-GDBMZVCRSA-N 2 2 332.448 1.187 50 0 EDAALP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000183757355 235218056 /nfs/dbraw/zinc/21/80/56/235218056.db2.gz KZVDWUKZRMRQMR-HNNXBMFYSA-N 2 2 326.466 1.210 50 0 EDAALP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000183757355 235218059 /nfs/dbraw/zinc/21/80/59/235218059.db2.gz KZVDWUKZRMRQMR-HNNXBMFYSA-N 2 2 326.466 1.210 50 0 EDAALP COc1cc(CCNc2nc(N)[nH+]c3c2CC[NH2+]CC3)cc(OC)c1 ZINC000072478379 216256699 /nfs/dbraw/zinc/25/66/99/216256699.db2.gz ZYGPKNLXVBYHSX-UHFFFAOYSA-N 2 2 343.431 1.419 50 0 EDAALP C[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCOCC1 ZINC000243901566 243032629 /nfs/dbraw/zinc/03/26/29/243032629.db2.gz BCNWURDLDOOSOR-HNNXBMFYSA-N 2 2 328.416 1.599 50 0 EDAALP O=C1OCCN1CCC[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069702241 203037753 /nfs/dbraw/zinc/03/77/53/203037753.db2.gz BGLLXSKFESDXGV-UHFFFAOYSA-N 2 2 343.431 1.917 50 0 EDAALP O=C1OCCN1CCC[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069702241 203037754 /nfs/dbraw/zinc/03/77/54/203037754.db2.gz BGLLXSKFESDXGV-UHFFFAOYSA-N 2 2 343.431 1.917 50 0 EDAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000077391148 203386344 /nfs/dbraw/zinc/38/63/44/203386344.db2.gz AOWQLLPQSRRWLW-UHFFFAOYSA-N 2 2 335.496 1.751 50 0 EDAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000077391148 203386346 /nfs/dbraw/zinc/38/63/46/203386346.db2.gz AOWQLLPQSRRWLW-UHFFFAOYSA-N 2 2 335.496 1.751 50 0 EDAALP C[C@@](O)(CNc1nc(C2CC2)[nH+]c2c1CCC2)C[NH+]1CCOCC1 ZINC000095980562 203784332 /nfs/dbraw/zinc/78/43/32/203784332.db2.gz PIJDWJIFDMRYRI-GOSISDBHSA-N 2 2 332.448 1.338 50 0 EDAALP c1nc(N2CCC[N@@H+](C3CCOCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000095442063 218386220 /nfs/dbraw/zinc/38/62/20/218386220.db2.gz CXXFOIYEBKHTRX-UHFFFAOYSA-N 2 2 331.464 1.990 50 0 EDAALP c1nc(N2CCC[N@H+](C3CCOCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000095442063 218386222 /nfs/dbraw/zinc/38/62/22/218386222.db2.gz CXXFOIYEBKHTRX-UHFFFAOYSA-N 2 2 331.464 1.990 50 0 EDAALP C[NH+]1CCN(c2nc(N3CCOCC3)[nH+]c3c2SCCC3)CC1 ZINC000009418933 277113891 /nfs/dbraw/zinc/11/38/91/277113891.db2.gz JFOXRDNUPZODBX-UHFFFAOYSA-N 2 2 335.477 1.103 50 0 EDAALP C[NH+](C)CCCNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](C)C3 ZINC000002205823 440858419 /nfs/dbraw/zinc/85/84/19/440858419.db2.gz SUXZYMFOQOLRID-UHFFFAOYSA-N 2 2 346.464 1.086 50 0 EDAALP C[NH+](C)CCCNc1nc2nnnn2c2sc3c(c21)CC[N@H+](C)C3 ZINC000002205823 440858425 /nfs/dbraw/zinc/85/84/25/440858425.db2.gz SUXZYMFOQOLRID-UHFFFAOYSA-N 2 2 346.464 1.086 50 0 EDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000058354790 441184827 /nfs/dbraw/zinc/18/48/27/441184827.db2.gz RMMWPBVPZJXRRN-MRXNPFEDSA-N 2 2 342.443 1.668 50 0 EDAALP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000072279905 441218816 /nfs/dbraw/zinc/21/88/16/441218816.db2.gz YGWAWMVYZZITBF-OALUTQOASA-N 2 2 333.476 1.058 50 0 EDAALP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000072279905 441218822 /nfs/dbraw/zinc/21/88/22/441218822.db2.gz YGWAWMVYZZITBF-OALUTQOASA-N 2 2 333.476 1.058 50 0 EDAALP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000048276406 441283569 /nfs/dbraw/zinc/28/35/69/441283569.db2.gz UJZGWGAUWGDJLR-HNNXBMFYSA-N 2 2 349.479 1.448 50 0 EDAALP Cc1nn(CC[NH+]2CCSCC2)cc1C[NH+]1CC(n2cccn2)C1 ZINC000065387375 441423504 /nfs/dbraw/zinc/42/35/04/441423504.db2.gz CWYFPQAZRRKXML-UHFFFAOYSA-N 2 2 346.504 1.494 50 0 EDAALP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108142891 441437366 /nfs/dbraw/zinc/43/73/66/441437366.db2.gz MVZOBRDLJFTRLI-ZWKOTPCHSA-N 2 2 340.427 1.855 50 0 EDAALP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108142891 441437372 /nfs/dbraw/zinc/43/73/72/441437372.db2.gz MVZOBRDLJFTRLI-ZWKOTPCHSA-N 2 2 340.427 1.855 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1C ZINC000095388126 441919350 /nfs/dbraw/zinc/91/93/50/441919350.db2.gz BALFGLUENRLLKU-AWEZNQCLSA-N 2 2 340.435 1.471 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1C ZINC000095388126 441919355 /nfs/dbraw/zinc/91/93/55/441919355.db2.gz BALFGLUENRLLKU-AWEZNQCLSA-N 2 2 340.435 1.471 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1C ZINC000095388126 441919361 /nfs/dbraw/zinc/91/93/61/441919361.db2.gz BALFGLUENRLLKU-AWEZNQCLSA-N 2 2 340.435 1.471 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1C ZINC000095388126 441919365 /nfs/dbraw/zinc/91/93/65/441919365.db2.gz BALFGLUENRLLKU-AWEZNQCLSA-N 2 2 340.435 1.471 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000095498742 441937770 /nfs/dbraw/zinc/93/77/70/441937770.db2.gz NXIXETUGRPKULO-CQSZACIVSA-N 3 2 329.452 1.591 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC000095498742 441937776 /nfs/dbraw/zinc/93/77/76/441937776.db2.gz NXIXETUGRPKULO-CQSZACIVSA-N 3 2 329.452 1.591 50 0 EDAALP CCn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000095963689 441962617 /nfs/dbraw/zinc/96/26/17/441962617.db2.gz UHRKDLYCLVADSU-MRXNPFEDSA-N 2 2 333.480 1.420 50 0 EDAALP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000222035003 443075192 /nfs/dbraw/zinc/07/51/92/443075192.db2.gz WRHHQTQURPMDSV-PMPSAXMXSA-N 2 2 339.386 1.157 50 0 EDAALP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000222035003 443075195 /nfs/dbraw/zinc/07/51/95/443075195.db2.gz WRHHQTQURPMDSV-PMPSAXMXSA-N 2 2 339.386 1.157 50 0 EDAALP Cc1cc(C)n(CCCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)n1 ZINC000222400915 443077435 /nfs/dbraw/zinc/07/74/35/443077435.db2.gz CBYOTLXXZNSVRB-UHFFFAOYSA-N 2 2 329.452 1.603 50 0 EDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1F ZINC000237300833 443167814 /nfs/dbraw/zinc/16/78/14/443167814.db2.gz VHNXUGBLIQKURL-HOTGVXAUSA-N 2 2 349.450 1.996 50 0 EDAALP C[N@@H+](CC(N)=O)C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000282183261 444108812 /nfs/dbraw/zinc/10/88/12/444108812.db2.gz GMHKGLKPCJXMQV-CYBMUJFWSA-N 2 2 348.834 1.511 50 0 EDAALP C[N@H+](CC(N)=O)C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000282183261 444108817 /nfs/dbraw/zinc/10/88/17/444108817.db2.gz GMHKGLKPCJXMQV-CYBMUJFWSA-N 2 2 348.834 1.511 50 0 EDAALP CCCn1cc[nH+]c1CNC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299774312 444137959 /nfs/dbraw/zinc/13/79/59/444137959.db2.gz GMCLZLYYRSJZJR-UHFFFAOYSA-N 2 2 334.464 1.800 50 0 EDAALP C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000289786268 444203185 /nfs/dbraw/zinc/20/31/85/444203185.db2.gz MCSPNWWRJIXJMZ-NVXWUHKLSA-N 2 2 327.432 1.562 50 0 EDAALP C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000289786268 444203186 /nfs/dbraw/zinc/20/31/86/444203186.db2.gz MCSPNWWRJIXJMZ-NVXWUHKLSA-N 2 2 327.432 1.562 50 0 EDAALP CC[NH+]1CCN(c2ccc(CNc3nc[nH+]c(N)c3Cl)cn2)CC1 ZINC000302803970 444224990 /nfs/dbraw/zinc/22/49/90/444224990.db2.gz VQXNBCSQBIAIMV-UHFFFAOYSA-N 2 2 347.854 1.861 50 0 EDAALP CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)C2)CC1 ZINC000218856480 536416078 /nfs/dbraw/zinc/41/60/78/536416078.db2.gz NZDSUNZANDKZDY-MRXNPFEDSA-N 2 2 341.459 1.434 50 0 EDAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@H+](CCOC)C2)CC1 ZINC000097694781 219048601 /nfs/dbraw/zinc/04/86/01/219048601.db2.gz PBASUUADXRUSBL-QGZVFWFLSA-N 2 2 348.491 1.967 50 0 EDAALP CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC000097694781 219048603 /nfs/dbraw/zinc/04/86/03/219048603.db2.gz PBASUUADXRUSBL-QGZVFWFLSA-N 2 2 348.491 1.967 50 0 EDAALP Cn1cc[nH+]c1CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000069348844 215383118 /nfs/dbraw/zinc/38/31/18/215383118.db2.gz WMLLDDUGOUOBAU-KRWDZBQOSA-N 2 2 344.484 1.869 50 0 EDAALP O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000072409633 216200972 /nfs/dbraw/zinc/20/09/72/216200972.db2.gz HDXDOVIUYRPBQJ-UHFFFAOYSA-N 2 2 336.399 1.948 50 0 EDAALP CC(C)[C@H](NC(=O)CCc1cc2n(n1)CC[NH2+]C2)c1[nH+]ccn1C ZINC000072424142 216212827 /nfs/dbraw/zinc/21/28/27/216212827.db2.gz MYSQVYBZHWXMFE-INIZCTEOSA-N 2 2 330.436 1.166 50 0 EDAALP C[C@@H](CO)[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074385669 216481916 /nfs/dbraw/zinc/48/19/16/216481916.db2.gz FROMHAKMAYATTM-HOTGVXAUSA-N 2 2 340.512 1.253 50 0 EDAALP [NH3+]Cc1cn(C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)nn1 ZINC000023339127 212369492 /nfs/dbraw/zinc/36/94/92/212369492.db2.gz CASNBKSPUUYAPI-UHFFFAOYSA-N 2 2 339.403 1.624 50 0 EDAALP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000216448693 241192616 /nfs/dbraw/zinc/19/26/16/241192616.db2.gz ZUGSXIGTSRPGOR-OYRHEFFESA-N 3 2 342.531 1.702 50 0 EDAALP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000216448693 241192623 /nfs/dbraw/zinc/19/26/23/241192623.db2.gz ZUGSXIGTSRPGOR-OYRHEFFESA-N 3 2 342.531 1.702 50 0 EDAALP Cc1c[nH+]ccc1N1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)CC1 ZINC000244692006 243061529 /nfs/dbraw/zinc/06/15/29/243061529.db2.gz JMWBVPFFWKPDNG-UHFFFAOYSA-N 2 2 339.443 1.566 50 0 EDAALP Cc1c[nH+]ccc1N1CCN(C(=O)C[N@H+](C)Cc2cccnc2)CC1 ZINC000244692006 243061535 /nfs/dbraw/zinc/06/15/35/243061535.db2.gz JMWBVPFFWKPDNG-UHFFFAOYSA-N 2 2 339.443 1.566 50 0 EDAALP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078604783 217085094 /nfs/dbraw/zinc/08/50/94/217085094.db2.gz GWNZZYRONHYXNQ-OAHLLOKOSA-N 2 2 331.464 1.964 50 0 EDAALP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000078604783 217085097 /nfs/dbraw/zinc/08/50/97/217085097.db2.gz GWNZZYRONHYXNQ-OAHLLOKOSA-N 2 2 331.464 1.964 50 0 EDAALP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000091872464 218082519 /nfs/dbraw/zinc/08/25/19/218082519.db2.gz ATAJNVFCWNQNHH-KRWDZBQOSA-N 2 2 338.415 1.837 50 0 EDAALP CC(C)c1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cn1 ZINC000095352210 218286177 /nfs/dbraw/zinc/28/61/77/218286177.db2.gz DGPSUXLYRFSRPA-IAGOWNOFSA-N 2 2 348.491 1.097 50 0 EDAALP CC(C)c1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cn1 ZINC000095352210 218286179 /nfs/dbraw/zinc/28/61/79/218286179.db2.gz DGPSUXLYRFSRPA-IAGOWNOFSA-N 2 2 348.491 1.097 50 0 EDAALP CCc1c[nH+]c(N)nc1N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000095367426 218300695 /nfs/dbraw/zinc/30/06/95/218300695.db2.gz QLUXSKNIGLWNRA-UHFFFAOYSA-N 3 2 332.496 1.619 50 0 EDAALP CCc1c[nH+]c(N)nc1N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000095367426 218300696 /nfs/dbraw/zinc/30/06/96/218300696.db2.gz QLUXSKNIGLWNRA-UHFFFAOYSA-N 3 2 332.496 1.619 50 0 EDAALP Cn1cc[nH+]c1CN1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000095385858 218318325 /nfs/dbraw/zinc/31/83/25/218318325.db2.gz VCLRGOLGLMIABD-MRXNPFEDSA-N 2 2 333.480 1.329 50 0 EDAALP Cn1cc[nH+]c1CN1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000095385858 218318327 /nfs/dbraw/zinc/31/83/27/218318327.db2.gz VCLRGOLGLMIABD-MRXNPFEDSA-N 2 2 333.480 1.329 50 0 EDAALP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1COCC[NH2+]1 ZINC000165475866 226125707 /nfs/dbraw/zinc/12/57/07/226125707.db2.gz KRMHZIGDCWCODO-MRXNPFEDSA-N 2 2 339.386 1.034 50 0 EDAALP Cc1cc(N(C)C)nc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)[nH+]1 ZINC000069952167 441096987 /nfs/dbraw/zinc/09/69/87/441096987.db2.gz SEGIDQODZJIDPO-KRWDZBQOSA-N 2 2 341.459 1.707 50 0 EDAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)CCc2cn[nH]c2)c(C)[nH+]1 ZINC000071751341 441150949 /nfs/dbraw/zinc/15/09/49/441150949.db2.gz ATBRYWQMEPMOOL-GJZGRUSLSA-N 2 2 344.463 1.350 50 0 EDAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)CCc2cn[nH]c2)c(C)[nH+]1 ZINC000071751341 441150951 /nfs/dbraw/zinc/15/09/51/441150951.db2.gz ATBRYWQMEPMOOL-GJZGRUSLSA-N 2 2 344.463 1.350 50 0 EDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072294650 441224291 /nfs/dbraw/zinc/22/42/91/441224291.db2.gz APOPXUQZADLRDQ-IAGOWNOFSA-N 2 2 340.427 1.215 50 0 EDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072294650 441224293 /nfs/dbraw/zinc/22/42/93/441224293.db2.gz APOPXUQZADLRDQ-IAGOWNOFSA-N 2 2 340.427 1.215 50 0 EDAALP Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCc3ccccc3C2)cn1 ZINC000106844039 441378035 /nfs/dbraw/zinc/37/80/35/441378035.db2.gz PQPPEEOSDITJBL-VQTJNVASSA-N 2 2 340.471 1.976 50 0 EDAALP Cn1cc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCc3ccccc3C2)cn1 ZINC000106844039 441378039 /nfs/dbraw/zinc/37/80/39/441378039.db2.gz PQPPEEOSDITJBL-VQTJNVASSA-N 2 2 340.471 1.976 50 0 EDAALP Cn1cc([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000106844039 441378051 /nfs/dbraw/zinc/37/80/51/441378051.db2.gz PQPPEEOSDITJBL-VQTJNVASSA-N 2 2 340.471 1.976 50 0 EDAALP Cc1nn(CC[NH+]2CCCCC2)cc1C[NH2+][C@H]1C=CS(=O)(=O)C1 ZINC000065395497 441423877 /nfs/dbraw/zinc/42/38/77/441423877.db2.gz UIZKHOTYDJYMMM-INIZCTEOSA-N 2 2 338.477 1.078 50 0 EDAALP O=C(CC[N@H+](CC1CC1)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065622062 441472693 /nfs/dbraw/zinc/47/26/93/441472693.db2.gz MKAWNVFPDOKTML-UHFFFAOYSA-N 2 2 328.460 1.995 50 0 EDAALP O=C(CC[N@@H+](CC1CC1)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065622062 441472696 /nfs/dbraw/zinc/47/26/96/441472696.db2.gz MKAWNVFPDOKTML-UHFFFAOYSA-N 2 2 328.460 1.995 50 0 EDAALP C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000089939133 441600415 /nfs/dbraw/zinc/60/04/15/441600415.db2.gz MSEOLGZMBJCSSW-ZDUSSCGKSA-N 2 2 337.493 1.313 50 0 EDAALP C[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000089939133 441600419 /nfs/dbraw/zinc/60/04/19/441600419.db2.gz MSEOLGZMBJCSSW-ZDUSSCGKSA-N 2 2 337.493 1.313 50 0 EDAALP C[NH+](C)C1(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000095418271 441924570 /nfs/dbraw/zinc/92/45/70/441924570.db2.gz HVNGKBADJVNZOJ-QZTJIDSGSA-N 2 2 343.471 1.583 50 0 EDAALP C[NH+](C)C1(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000095418271 441924572 /nfs/dbraw/zinc/92/45/72/441924572.db2.gz HVNGKBADJVNZOJ-QZTJIDSGSA-N 2 2 343.471 1.583 50 0 EDAALP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)NC(C)C ZINC000095965016 441963887 /nfs/dbraw/zinc/96/38/87/441963887.db2.gz YLEBARYDKTUNMY-QGZVFWFLSA-N 2 2 348.491 1.252 50 0 EDAALP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)NC(C)C ZINC000095965016 441963891 /nfs/dbraw/zinc/96/38/91/441963891.db2.gz YLEBARYDKTUNMY-QGZVFWFLSA-N 2 2 348.491 1.252 50 0 EDAALP O=S(=O)([C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1)N1CCCC1 ZINC000161640295 442019043 /nfs/dbraw/zinc/01/90/43/442019043.db2.gz XLEMSBQWHSSDIX-INIZCTEOSA-N 2 2 329.510 1.362 50 0 EDAALP O=S(=O)([C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1)N1CCCC1 ZINC000161640295 442019051 /nfs/dbraw/zinc/01/90/51/442019051.db2.gz XLEMSBQWHSSDIX-INIZCTEOSA-N 2 2 329.510 1.362 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096420663 442122306 /nfs/dbraw/zinc/12/23/06/442122306.db2.gz QSRHEVOXAZYCGC-DOTOQJQBSA-N 2 2 328.416 1.289 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096420663 442122309 /nfs/dbraw/zinc/12/23/09/442122309.db2.gz QSRHEVOXAZYCGC-DOTOQJQBSA-N 2 2 328.416 1.289 50 0 EDAALP C[C@H]1C[NH+](CCC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000096455931 442136787 /nfs/dbraw/zinc/13/67/87/442136787.db2.gz ZBTBFNUUIVHOPU-GJZGRUSLSA-N 2 2 332.510 1.242 50 0 EDAALP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCOC2(CCC2)C1)c1ccccc1 ZINC000097163471 442178068 /nfs/dbraw/zinc/17/80/68/442178068.db2.gz FXDMMYYQYJNPPZ-QGZVFWFLSA-N 2 2 331.460 1.660 50 0 EDAALP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCOC2(CCC2)C1)c1ccccc1 ZINC000097163471 442178072 /nfs/dbraw/zinc/17/80/72/442178072.db2.gz FXDMMYYQYJNPPZ-QGZVFWFLSA-N 2 2 331.460 1.660 50 0 EDAALP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccncc1 ZINC000097370697 442191837 /nfs/dbraw/zinc/19/18/37/442191837.db2.gz GDTXNPYHWGBUBO-HNNXBMFYSA-N 2 2 328.416 1.670 50 0 EDAALP C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000156957236 442537138 /nfs/dbraw/zinc/53/71/38/442537138.db2.gz CXBMKDSBCLFHIJ-QAPCUYQASA-N 2 2 331.460 1.718 50 0 EDAALP COc1nc(C)cc(C)c1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222917551 443083579 /nfs/dbraw/zinc/08/35/79/443083579.db2.gz XUGHKIONOZURNB-UHFFFAOYSA-N 2 2 328.420 1.896 50 0 EDAALP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1COCC[NH2+]1 ZINC000237772339 443182121 /nfs/dbraw/zinc/18/21/21/443182121.db2.gz CZWRAHVMXVBUHS-WBMJQRKESA-N 2 2 339.386 1.034 50 0 EDAALP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1COCC[NH2+]1 ZINC000237772339 443182125 /nfs/dbraw/zinc/18/21/25/443182125.db2.gz CZWRAHVMXVBUHS-WBMJQRKESA-N 2 2 339.386 1.034 50 0 EDAALP CN1CC[NH+](CC2(C)CC[NH+](Cc3cn(C(C)(C)C)nn3)CC2)CC1 ZINC000241161281 443206444 /nfs/dbraw/zinc/20/64/44/443206444.db2.gz JZQNIIDRKXVWGI-UHFFFAOYSA-N 2 2 348.539 1.883 50 0 EDAALP CC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000426582884 447475108 /nfs/dbraw/zinc/47/51/08/447475108.db2.gz UGRKCDRBYNBSAC-HNNXBMFYSA-N 2 2 332.448 1.976 50 0 EDAALP CC[N@H+]1CC[C@@H](CNC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000426582884 447475114 /nfs/dbraw/zinc/47/51/14/447475114.db2.gz UGRKCDRBYNBSAC-HNNXBMFYSA-N 2 2 332.448 1.976 50 0 EDAALP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653161501 453354312 /nfs/dbraw/zinc/35/43/12/453354312.db2.gz QGFXGUMATHTNGO-OAGGEKHMSA-N 2 2 329.448 1.040 50 0 EDAALP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653161501 453354320 /nfs/dbraw/zinc/35/43/20/453354320.db2.gz QGFXGUMATHTNGO-OAGGEKHMSA-N 2 2 329.448 1.040 50 0 EDAALP CC(C)Nc1nc(N)[nH+]c2c1CCN(C(=O)C1(C)CC[NH2+]CC1)CC2 ZINC000072422271 216211798 /nfs/dbraw/zinc/21/17/98/216211798.db2.gz SJUDPQOEGLCHON-UHFFFAOYSA-N 2 2 346.479 1.196 50 0 EDAALP Nc1nc(N2CC[N@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc[nH+]1 ZINC000072477453 216255811 /nfs/dbraw/zinc/25/58/11/216255811.db2.gz LAWDRPBYWZYCNU-ZDUSSCGKSA-N 2 2 349.385 1.410 50 0 EDAALP Nc1nc(N2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc[nH+]1 ZINC000072477453 216255815 /nfs/dbraw/zinc/25/58/15/216255815.db2.gz LAWDRPBYWZYCNU-ZDUSSCGKSA-N 2 2 349.385 1.410 50 0 EDAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OC ZINC000022076096 212276849 /nfs/dbraw/zinc/27/68/49/212276849.db2.gz PAMCJFJGBHEZJB-UHFFFAOYSA-N 2 2 333.226 1.138 50 0 EDAALP CCCc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)nc(C)[nH+]1 ZINC000230164011 242242026 /nfs/dbraw/zinc/24/20/26/242242026.db2.gz QMQZTTHWTUVKPD-LJQANCHMSA-N 2 2 345.491 1.870 50 0 EDAALP Nc1nc(N2CCC(Cn3cccn3)CC2)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244723901 243070495 /nfs/dbraw/zinc/07/04/95/243070495.db2.gz MJQBRIIWLRCCJF-HDJSIYSDSA-N 2 2 327.436 1.377 50 0 EDAALP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccccc1F ZINC000095369591 218303100 /nfs/dbraw/zinc/30/31/00/218303100.db2.gz UYPJSAQJPBRZSV-SFHVURJKSA-N 2 2 349.450 1.752 50 0 EDAALP O[C@@]1(C[N@H+](CCc2ccccc2)Cc2ccccn2)C[NH2+]CCOC1 ZINC000077357718 285344137 /nfs/dbraw/zinc/34/41/37/285344137.db2.gz LNOKJIJEZMKYFQ-HXUWFJFHSA-N 2 2 341.455 1.477 50 0 EDAALP O[C@@]1(C[N@@H+](CCc2ccccc2)Cc2ccccn2)C[NH2+]CCOC1 ZINC000077357718 285344143 /nfs/dbraw/zinc/34/41/43/285344143.db2.gz LNOKJIJEZMKYFQ-HXUWFJFHSA-N 2 2 341.455 1.477 50 0 EDAALP Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cn21 ZINC000333468113 141322146 /nfs/dbraw/zinc/32/21/46/141322146.db2.gz ADIODYBMKTUWQD-GOSISDBHSA-N 2 2 327.432 1.928 50 0 EDAALP O=C(C[C@H]1COCC[NH2+]1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000286160612 287949542 /nfs/dbraw/zinc/94/95/42/287949542.db2.gz QHGWUNZUBHWISK-INIZCTEOSA-N 2 2 328.416 1.121 50 0 EDAALP CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[NH+]1CCCC1 ZINC000063854585 441358718 /nfs/dbraw/zinc/35/87/18/441358718.db2.gz DSNHFNUMEPCBIO-GOSISDBHSA-N 2 2 330.476 1.846 50 0 EDAALP CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+](C)C)C2)nc[nH+]1 ZINC000065245038 441409516 /nfs/dbraw/zinc/40/95/16/441409516.db2.gz BFOXJGVTVYSZDT-OAHLLOKOSA-N 2 2 348.495 1.583 50 0 EDAALP CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+](C)C)C2)[nH+]cn1 ZINC000065245038 441409520 /nfs/dbraw/zinc/40/95/20/441409520.db2.gz BFOXJGVTVYSZDT-OAHLLOKOSA-N 2 2 348.495 1.583 50 0 EDAALP CC[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000084736102 441416977 /nfs/dbraw/zinc/41/69/77/441416977.db2.gz RHKNGYQDPGABIA-ZBFHGGJFSA-N 2 2 328.416 1.517 50 0 EDAALP COc1ccc(C[N@H+](C)C[C@]2(O)C[NH2+]CCOC2)c2cccnc12 ZINC000077522176 441797121 /nfs/dbraw/zinc/79/71/21/441797121.db2.gz YQAKLWDGAQCYGT-GOSISDBHSA-N 2 2 331.416 1.026 50 0 EDAALP COc1ccc(C[N@@H+](C)C[C@]2(O)C[NH2+]CCOC2)c2cccnc12 ZINC000077522176 441797125 /nfs/dbraw/zinc/79/71/25/441797125.db2.gz YQAKLWDGAQCYGT-GOSISDBHSA-N 2 2 331.416 1.026 50 0 EDAALP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc[nH+]c(C)c2)CC1=O ZINC000195530215 443029628 /nfs/dbraw/zinc/02/96/28/443029628.db2.gz DUPXHTQKKDPCOK-HOCLYGCPSA-N 2 2 330.432 1.661 50 0 EDAALP CN1CC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000225322194 443099708 /nfs/dbraw/zinc/09/97/08/443099708.db2.gz HTOYQGBMRWATFN-IBGZPJMESA-N 2 2 347.503 1.660 50 0 EDAALP CN1CC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000225322194 443099710 /nfs/dbraw/zinc/09/97/10/443099710.db2.gz HTOYQGBMRWATFN-IBGZPJMESA-N 2 2 347.503 1.660 50 0 EDAALP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC000253390732 443053207 /nfs/dbraw/zinc/05/32/07/443053207.db2.gz KMQWZAOXTDTRCE-BRWVUGGUSA-N 2 2 347.507 1.984 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC000253390732 443053210 /nfs/dbraw/zinc/05/32/10/443053210.db2.gz KMQWZAOXTDTRCE-BRWVUGGUSA-N 2 2 347.507 1.984 50 0 EDAALP Cn1ncc2c1nc(NCCc1[nH+]ccn1Cc1ccccc1)[nH+]c2N ZINC000225510858 443108852 /nfs/dbraw/zinc/10/88/52/443108852.db2.gz GTZTTYCSGGVOLM-UHFFFAOYSA-N 2 2 348.414 1.845 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000229750891 443129923 /nfs/dbraw/zinc/12/99/23/443129923.db2.gz APOPXUQZADLRDQ-DLBZAZTESA-N 2 2 340.427 1.215 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000229750891 443129929 /nfs/dbraw/zinc/12/99/29/443129929.db2.gz APOPXUQZADLRDQ-DLBZAZTESA-N 2 2 340.427 1.215 50 0 EDAALP O=C(Cc1c[nH+]c2ccccn12)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000299764408 444137725 /nfs/dbraw/zinc/13/77/25/444137725.db2.gz VQDNYDHQJXTZIU-UHFFFAOYSA-N 2 2 342.443 1.326 50 0 EDAALP CCn1c[nH+]cc1CNC(=O)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000534646686 448460318 /nfs/dbraw/zinc/46/03/18/448460318.db2.gz DJPHAOAFQPXNHK-MRXNPFEDSA-N 2 2 349.479 1.689 50 0 EDAALP C[NH+]1CCC(CNCc2nnn(C(C)(C)C)n2)([NH+]2CCCCC2)CC1 ZINC000657378690 453778122 /nfs/dbraw/zinc/77/81/22/453778122.db2.gz XQKHJRZLLZBPLL-UHFFFAOYSA-N 2 2 349.527 1.468 50 0 EDAALP C[NH+]1CCC(C[NH2+]Cc2nnn(C(C)(C)C)n2)(N2CCCCC2)CC1 ZINC000657378690 453778123 /nfs/dbraw/zinc/77/81/23/453778123.db2.gz XQKHJRZLLZBPLL-UHFFFAOYSA-N 2 2 349.527 1.468 50 0 EDAALP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072141725 216027848 /nfs/dbraw/zinc/02/78/48/216027848.db2.gz QYNXMSFEPTXNKW-GOSISDBHSA-N 3 2 342.487 1.063 50 0 EDAALP Cc1ccc([C@@H](CNc2nc(N)[nH+]c3c2CC[NH2+]CC3)[NH+](C)C)cc1 ZINC000072481194 216261561 /nfs/dbraw/zinc/26/15/61/216261561.db2.gz VWAWRDLCNKQIAI-QGZVFWFLSA-N 3 2 340.475 1.770 50 0 EDAALP C[C@H](c1ccc(-c2cc(NCCO)nc(N)[nH+]2)cc1)[NH+]1CCOCC1 ZINC000215564856 241131303 /nfs/dbraw/zinc/13/13/03/241131303.db2.gz VSJBTMCTVZXVSJ-CYBMUJFWSA-N 2 2 343.431 1.523 50 0 EDAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccon3)C[C@@H]2CCO)CC1 ZINC000020208394 212112556 /nfs/dbraw/zinc/11/25/56/212112556.db2.gz BHFHYXWYIPPSTF-SFHVURJKSA-N 2 2 336.480 1.416 50 0 EDAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccon3)C[C@@H]2CCO)CC1 ZINC000020208394 212112557 /nfs/dbraw/zinc/11/25/57/212112557.db2.gz BHFHYXWYIPPSTF-SFHVURJKSA-N 2 2 336.480 1.416 50 0 EDAALP CCc1c(C)[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[N@H+](C)CCOC)C1 ZINC000091604937 218031887 /nfs/dbraw/zinc/03/18/87/218031887.db2.gz LREINUYYOAKPDX-HZPDHXFCSA-N 2 2 336.480 1.279 50 0 EDAALP CCc1c(C)[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[N@@H+](C)CCOC)C1 ZINC000091604937 218031889 /nfs/dbraw/zinc/03/18/89/218031889.db2.gz LREINUYYOAKPDX-HZPDHXFCSA-N 2 2 336.480 1.279 50 0 EDAALP COc1cccc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000011842455 211256574 /nfs/dbraw/zinc/25/65/74/211256574.db2.gz KNBSGCGTLDOUHW-INIZCTEOSA-N 2 2 331.460 1.984 50 0 EDAALP COc1cccc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000011842455 211256578 /nfs/dbraw/zinc/25/65/78/211256578.db2.gz KNBSGCGTLDOUHW-INIZCTEOSA-N 2 2 331.460 1.984 50 0 EDAALP COc1cccc([C@H]2CN(C(=O)C(C)(C)[NH+]3CCOCC3)C[C@@H]2[NH3+])c1 ZINC000091907826 218087129 /nfs/dbraw/zinc/08/71/29/218087129.db2.gz YYQHHBNZWJIRNE-SJORKVTESA-N 2 2 347.459 1.059 50 0 EDAALP Cc1[nH+]cn(CCNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)c1C ZINC000299755984 258073988 /nfs/dbraw/zinc/07/39/88/258073988.db2.gz GUEGLGTUOGQJFB-AWEZNQCLSA-N 2 2 346.435 1.310 50 0 EDAALP Cc1cc2n(n1)C[C@@H](C[NH2+]C1CC[NH+](Cc3ccccn3)CC1)CN2 ZINC000058291774 441173581 /nfs/dbraw/zinc/17/35/81/441173581.db2.gz YRXPCYYIXLJNFX-INIZCTEOSA-N 2 2 340.475 1.882 50 0 EDAALP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000058406114 441192208 /nfs/dbraw/zinc/19/22/08/441192208.db2.gz HFDCMVVRYDZTJS-UHFFFAOYSA-N 2 2 339.447 1.973 50 0 EDAALP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000048342014 441295716 /nfs/dbraw/zinc/29/57/16/441295716.db2.gz YXGFUBNEWCVIPA-INIZCTEOSA-N 2 2 345.447 1.023 50 0 EDAALP C[C@@H](O)[C@H]([NH3+])C(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082121058 441336045 /nfs/dbraw/zinc/33/60/45/441336045.db2.gz OCBCQQKKRAUOMK-PBHICJAKSA-N 2 2 342.443 1.346 50 0 EDAALP Cc1nn(CC[NH+]2CCCCC2)cc1C[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC000065395498 441424560 /nfs/dbraw/zinc/42/45/60/441424560.db2.gz UIZKHOTYDJYMMM-MRXNPFEDSA-N 2 2 338.477 1.078 50 0 EDAALP COc1cccc([C@@H](CNC(=O)N[C@H](C)Cn2cc[nH+]c2)[NH+](C)C)c1 ZINC000065458049 441438338 /nfs/dbraw/zinc/43/83/38/441438338.db2.gz VYHZTZKHCGHQGB-RHSMWYFYSA-N 2 2 345.447 1.882 50 0 EDAALP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)CC1 ZINC000066568289 441544601 /nfs/dbraw/zinc/54/46/01/441544601.db2.gz YDYYUOIRFSJJMW-CQSZACIVSA-N 2 2 349.479 1.705 50 0 EDAALP c1cc(N2CCCC2)nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000095961981 441962012 /nfs/dbraw/zinc/96/20/12/441962012.db2.gz KFNRLSGGURAJKK-INIZCTEOSA-N 2 2 331.464 1.625 50 0 EDAALP O=[S@](CC[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000069848714 442056057 /nfs/dbraw/zinc/05/60/57/442056057.db2.gz XXLPGRAYZGDXNX-QHCPKHFHSA-N 2 2 335.517 1.508 50 0 EDAALP Cc1cc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000096967975 442152686 /nfs/dbraw/zinc/15/26/86/442152686.db2.gz WVVPVGPPSAXHRH-INIZCTEOSA-N 2 2 336.480 1.816 50 0 EDAALP COCCn1c[nH+]cc1CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000426584638 447476852 /nfs/dbraw/zinc/47/68/52/447476852.db2.gz GWXLXMMQEIZSCQ-HNNXBMFYSA-N 2 2 342.443 1.593 50 0 EDAALP COCCn1c[nH+]cc1CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000426584638 447476859 /nfs/dbraw/zinc/47/68/59/447476859.db2.gz GWXLXMMQEIZSCQ-HNNXBMFYSA-N 2 2 342.443 1.593 50 0 EDAALP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000076019209 491016612 /nfs/dbraw/zinc/01/66/12/491016612.db2.gz JCXGBBPIAKCXAC-QGZVFWFLSA-N 2 2 343.431 1.999 50 0 EDAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)NC[C@@H](C)n2cc[nH+]c2)[nH]n1 ZINC000067846895 215228625 /nfs/dbraw/zinc/22/86/25/215228625.db2.gz RURYEXWAXVQLDI-CYBMUJFWSA-N 2 2 341.419 1.965 50 0 EDAALP COc1ccc(C(=O)NCC(C)(C)[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000068500021 215314262 /nfs/dbraw/zinc/31/42/62/215314262.db2.gz VBQHIUOTYASXEB-UHFFFAOYSA-N 2 2 334.464 1.625 50 0 EDAALP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000072133551 216022195 /nfs/dbraw/zinc/02/21/95/216022195.db2.gz MWDDSQDZHYYNMV-OAHLLOKOSA-N 2 2 325.478 1.511 50 0 EDAALP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000072133551 216022199 /nfs/dbraw/zinc/02/21/99/216022199.db2.gz MWDDSQDZHYYNMV-OAHLLOKOSA-N 2 2 325.478 1.511 50 0 EDAALP COc1ccc(-n2cccn2)c(C[N@@H+]2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072154574 216043627 /nfs/dbraw/zinc/04/36/27/216043627.db2.gz MAWKDEMQGPGYGQ-INIZCTEOSA-N 2 2 344.459 1.891 50 0 EDAALP COc1ccc(-n2cccn2)c(C[N@H+]2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072154574 216043629 /nfs/dbraw/zinc/04/36/29/216043629.db2.gz MAWKDEMQGPGYGQ-INIZCTEOSA-N 2 2 344.459 1.891 50 0 EDAALP CC[N@@H+]1CCCn2nc(C[NH+]3CCC(N4CCOC4=O)CC3)cc2C1 ZINC000072154031 216043863 /nfs/dbraw/zinc/04/38/63/216043863.db2.gz KPBMMZQGGGIHRS-UHFFFAOYSA-N 2 2 347.463 1.525 50 0 EDAALP CC[N@H+]1CCCn2nc(C[NH+]3CCC(N4CCOC4=O)CC3)cc2C1 ZINC000072154031 216043867 /nfs/dbraw/zinc/04/38/67/216043867.db2.gz KPBMMZQGGGIHRS-UHFFFAOYSA-N 2 2 347.463 1.525 50 0 EDAALP C(C[NH2+]C[C@H]1COC2(CCCC2)O1)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000022924810 212335964 /nfs/dbraw/zinc/33/59/64/212335964.db2.gz HHAHKYISQVFGKB-IYBDPMFKSA-N 2 2 340.464 1.537 50 0 EDAALP CN1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CCC1=O ZINC000216137155 241168838 /nfs/dbraw/zinc/16/88/38/241168838.db2.gz KTMCXTASXOMPGD-UHFFFAOYSA-N 2 2 328.416 1.626 50 0 EDAALP CN1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CCC1=O ZINC000216137155 241168845 /nfs/dbraw/zinc/16/88/45/241168845.db2.gz KTMCXTASXOMPGD-UHFFFAOYSA-N 2 2 328.416 1.626 50 0 EDAALP CCc1c[nH+]c(N)nc1NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000095354658 218288392 /nfs/dbraw/zinc/28/83/92/218288392.db2.gz WLKVIPYCYHVTDJ-UHFFFAOYSA-N 2 2 332.496 1.983 50 0 EDAALP CCc1c[nH+]c(N)nc1NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000095354658 218288394 /nfs/dbraw/zinc/28/83/94/218288394.db2.gz WLKVIPYCYHVTDJ-UHFFFAOYSA-N 2 2 332.496 1.983 50 0 EDAALP C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000328597473 258041890 /nfs/dbraw/zinc/04/18/90/258041890.db2.gz HQSBNALXNFAAFD-YJBOKZPZSA-N 2 2 331.460 1.637 50 0 EDAALP Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NCC[NH+]2CCCC2)CC1 ZINC000034684192 132388158 /nfs/dbraw/zinc/38/81/58/132388158.db2.gz HKEGVNFNJHWECQ-SFHVURJKSA-N 2 2 344.503 1.718 50 0 EDAALP C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000044954741 440925725 /nfs/dbraw/zinc/92/57/25/440925725.db2.gz CUSXAZAEFJGMLZ-RRFJBIMHSA-N 2 2 349.479 1.445 50 0 EDAALP Cc1[nH+]ccn1[C@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000071278828 441143140 /nfs/dbraw/zinc/14/31/40/441143140.db2.gz ZXDFDNIRKWOCBV-CQSZACIVSA-N 2 2 342.447 1.216 50 0 EDAALP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)n1cc[nH+]c1 ZINC000058217954 441160653 /nfs/dbraw/zinc/16/06/53/441160653.db2.gz ZAPIEPGYRHZGPT-HNNXBMFYSA-N 2 2 328.416 1.958 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)C ZINC000072166942 441206288 /nfs/dbraw/zinc/20/62/88/441206288.db2.gz HGICWWAJPMMCSO-OAHLLOKOSA-N 2 2 349.479 1.005 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)C ZINC000072166942 441206291 /nfs/dbraw/zinc/20/62/91/441206291.db2.gz HGICWWAJPMMCSO-OAHLLOKOSA-N 2 2 349.479 1.005 50 0 EDAALP CC(C)[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153818 441328132 /nfs/dbraw/zinc/32/81/32/441328132.db2.gz YKBPURASNFLMAS-RVKKMQEKSA-N 2 2 348.491 1.898 50 0 EDAALP CC(C)[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153818 441328134 /nfs/dbraw/zinc/32/81/34/441328134.db2.gz YKBPURASNFLMAS-RVKKMQEKSA-N 2 2 348.491 1.898 50 0 EDAALP CC1(C)CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000106772651 441367817 /nfs/dbraw/zinc/36/78/17/441367817.db2.gz PLFHJIKVQKEFSL-IBGZPJMESA-N 2 2 347.503 1.276 50 0 EDAALP CCNc1cc(N2CCC(CCC(=O)NCC[NH+](C)C)CC2)nc[nH+]1 ZINC000065274257 441413773 /nfs/dbraw/zinc/41/37/73/441413773.db2.gz GLCAHMUYVGAUQA-UHFFFAOYSA-N 2 2 348.495 1.583 50 0 EDAALP CCNc1cc(N2CCC(CCC(=O)NCC[NH+](C)C)CC2)[nH+]cn1 ZINC000065274257 441413777 /nfs/dbraw/zinc/41/37/77/441413777.db2.gz GLCAHMUYVGAUQA-UHFFFAOYSA-N 2 2 348.495 1.583 50 0 EDAALP C[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107414537 441415611 /nfs/dbraw/zinc/41/56/11/441415611.db2.gz HGEAWMUBOSUHHE-GOSISDBHSA-N 2 2 331.464 1.318 50 0 EDAALP CC(C)Oc1ccc(C[N@@H+]2CCN3CC[NH+](C)C[C@@H]3C2)cc1CO ZINC000065382234 441422283 /nfs/dbraw/zinc/42/22/83/441422283.db2.gz ZYUMPLSMVHMPJP-GOSISDBHSA-N 2 2 333.476 1.398 50 0 EDAALP CC(C)Oc1ccc(C[N@H+]2CCN3CC[NH+](C)C[C@@H]3C2)cc1CO ZINC000065382234 441422288 /nfs/dbraw/zinc/42/22/88/441422288.db2.gz ZYUMPLSMVHMPJP-GOSISDBHSA-N 2 2 333.476 1.398 50 0 EDAALP CC(C)Oc1ccc(C[NH+]2CCN3CC[N@H+](C)C[C@@H]3C2)cc1CO ZINC000065382234 441422293 /nfs/dbraw/zinc/42/22/93/441422293.db2.gz ZYUMPLSMVHMPJP-GOSISDBHSA-N 2 2 333.476 1.398 50 0 EDAALP CC(C)Oc1ccc(C[NH+]2CCN3CC[N@@H+](C)C[C@@H]3C2)cc1CO ZINC000065382234 441422297 /nfs/dbraw/zinc/42/22/97/441422297.db2.gz ZYUMPLSMVHMPJP-GOSISDBHSA-N 2 2 333.476 1.398 50 0 EDAALP C[N@@H+]1CCN2CC[NH+](Cc3ccccc3Cn3cccn3)C[C@@H]2C1 ZINC000065393625 441423233 /nfs/dbraw/zinc/42/32/33/441423233.db2.gz MDXWOZCIIUVFKZ-IBGZPJMESA-N 2 2 325.460 1.363 50 0 EDAALP C[N@H+]1CCN2CC[NH+](Cc3ccccc3Cn3cccn3)C[C@@H]2C1 ZINC000065393625 441423234 /nfs/dbraw/zinc/42/32/34/441423234.db2.gz MDXWOZCIIUVFKZ-IBGZPJMESA-N 2 2 325.460 1.363 50 0 EDAALP C[NH+]1CCN2CC[N@H+](Cc3ccccc3Cn3cccn3)C[C@@H]2C1 ZINC000065393625 441423238 /nfs/dbraw/zinc/42/32/38/441423238.db2.gz MDXWOZCIIUVFKZ-IBGZPJMESA-N 2 2 325.460 1.363 50 0 EDAALP C[NH+]1CCN2CC[N@@H+](Cc3ccccc3Cn3cccn3)C[C@@H]2C1 ZINC000065393625 441423241 /nfs/dbraw/zinc/42/32/41/441423241.db2.gz MDXWOZCIIUVFKZ-IBGZPJMESA-N 2 2 325.460 1.363 50 0 EDAALP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000065502543 441447251 /nfs/dbraw/zinc/44/72/51/441447251.db2.gz HVHBRXMYLLXWMG-CQSZACIVSA-N 2 2 345.447 1.536 50 0 EDAALP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000065502543 441447255 /nfs/dbraw/zinc/44/72/55/441447255.db2.gz HVHBRXMYLLXWMG-CQSZACIVSA-N 2 2 345.447 1.536 50 0 EDAALP C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)C[C@H]1[NH+]1CCOCC1 ZINC000076056955 441589552 /nfs/dbraw/zinc/58/95/52/441589552.db2.gz BVNMLPXPCJUPMJ-GOEBONIOSA-N 2 2 344.415 1.317 50 0 EDAALP c1nn(-c2ccccn2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000041531909 441658595 /nfs/dbraw/zinc/65/85/95/441658595.db2.gz GZKUYRQJHWOPOQ-UHFFFAOYSA-N 2 2 339.403 1.345 50 0 EDAALP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077378584 441767797 /nfs/dbraw/zinc/76/77/97/441767797.db2.gz GVZRWZFBYWUKHS-UHFFFAOYSA-N 2 2 327.432 1.793 50 0 EDAALP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077378584 441767805 /nfs/dbraw/zinc/76/78/05/441767805.db2.gz GVZRWZFBYWUKHS-UHFFFAOYSA-N 2 2 327.432 1.793 50 0 EDAALP O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095530626 441951689 /nfs/dbraw/zinc/95/16/89/441951689.db2.gz YJCOEIVRZKNFJW-INIZCTEOSA-N 2 2 332.448 1.378 50 0 EDAALP CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cc[nH+]cc1C(N)=O ZINC000095941129 441954802 /nfs/dbraw/zinc/95/48/02/441954802.db2.gz DNUZXUUUPSZACR-UHFFFAOYSA-N 2 2 339.443 1.439 50 0 EDAALP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)cn1 ZINC000069597439 441985416 /nfs/dbraw/zinc/98/54/16/441985416.db2.gz FTIVGPVDHWPIJB-SFHVURJKSA-N 2 2 347.507 1.812 50 0 EDAALP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)cn1 ZINC000069597439 441985423 /nfs/dbraw/zinc/98/54/23/441985423.db2.gz FTIVGPVDHWPIJB-SFHVURJKSA-N 2 2 347.507 1.812 50 0 EDAALP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000069597439 441985429 /nfs/dbraw/zinc/98/54/29/441985429.db2.gz FTIVGPVDHWPIJB-SFHVURJKSA-N 2 2 347.507 1.812 50 0 EDAALP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)cn1 ZINC000069597439 441985434 /nfs/dbraw/zinc/98/54/34/441985434.db2.gz FTIVGPVDHWPIJB-SFHVURJKSA-N 2 2 347.507 1.812 50 0 EDAALP Cc1nn(C)c2nc(N3CCC4(CC3)C[N@H+](C)CCC[NH+]4C)sc12 ZINC000096166772 442053551 /nfs/dbraw/zinc/05/35/51/442053551.db2.gz OUWASTZCSJKTGY-UHFFFAOYSA-N 2 2 348.520 1.945 50 0 EDAALP Cc1nn(C)c2nc(N3CCC4(CC3)C[N@@H+](C)CCC[NH+]4C)sc12 ZINC000096166772 442053556 /nfs/dbraw/zinc/05/35/56/442053556.db2.gz OUWASTZCSJKTGY-UHFFFAOYSA-N 2 2 348.520 1.945 50 0 EDAALP Cc1nn(C)c2nc(N3CCC4(CC3)C[NH+](C)CCC[N@@H+]4C)sc12 ZINC000096166772 442053562 /nfs/dbraw/zinc/05/35/62/442053562.db2.gz OUWASTZCSJKTGY-UHFFFAOYSA-N 2 2 348.520 1.945 50 0 EDAALP Cc1nn(C)c2nc(N3CCC4(CC3)C[NH+](C)CCC[N@H+]4C)sc12 ZINC000096166772 442053565 /nfs/dbraw/zinc/05/35/65/442053565.db2.gz OUWASTZCSJKTGY-UHFFFAOYSA-N 2 2 348.520 1.945 50 0 EDAALP Cc1nc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000097136627 442173058 /nfs/dbraw/zinc/17/30/58/442173058.db2.gz FVZDDZHSWLMQIE-HNNXBMFYSA-N 2 2 344.463 1.101 50 0 EDAALP Cc1nc(N2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000097136627 442173062 /nfs/dbraw/zinc/17/30/62/442173062.db2.gz FVZDDZHSWLMQIE-HNNXBMFYSA-N 2 2 344.463 1.101 50 0 EDAALP CCCS(=O)(=O)NC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC000670471116 486562944 /nfs/dbraw/zinc/56/29/44/486562944.db2.gz OQBMLMGTALQITH-AWEZNQCLSA-N 2 2 341.477 1.643 50 0 EDAALP C[NH+]1CCC([N@@H+]2CCO[C@@H](CCNC(=O)C3CCCCC3)C2)CC1 ZINC000067713345 215190701 /nfs/dbraw/zinc/19/07/01/215190701.db2.gz GPBUYFXRNWSGHV-SFHVURJKSA-N 2 2 337.508 1.868 50 0 EDAALP C[NH+]1CCC([N@H+]2CCO[C@@H](CCNC(=O)C3CCCCC3)C2)CC1 ZINC000067713345 215190704 /nfs/dbraw/zinc/19/07/04/215190704.db2.gz GPBUYFXRNWSGHV-SFHVURJKSA-N 2 2 337.508 1.868 50 0 EDAALP CN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1nccs1 ZINC000069028465 215353778 /nfs/dbraw/zinc/35/37/78/215353778.db2.gz WCVCZABWTHQOON-UHFFFAOYSA-N 2 2 338.477 1.150 50 0 EDAALP COCCC[C@@H]1CCCN(c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)C1 ZINC000096141337 237029802 /nfs/dbraw/zinc/02/98/02/237029802.db2.gz ZLITWFKHAAJVDI-HNNXBMFYSA-N 2 2 348.495 1.454 50 0 EDAALP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072141723 216027592 /nfs/dbraw/zinc/02/75/92/216027592.db2.gz QYNXMSFEPTXNKW-SFHVURJKSA-N 3 2 342.487 1.063 50 0 EDAALP O=C(c1cccnc1)[C@H]1CCC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072162162 216050632 /nfs/dbraw/zinc/05/06/32/216050632.db2.gz GJXBPUHALURRBB-INIZCTEOSA-N 2 2 339.443 1.866 50 0 EDAALP O=C(c1cccnc1)[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072162162 216050635 /nfs/dbraw/zinc/05/06/35/216050635.db2.gz GJXBPUHALURRBB-INIZCTEOSA-N 2 2 339.443 1.866 50 0 EDAALP C[N@H+](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000072276176 216101581 /nfs/dbraw/zinc/10/15/81/216101581.db2.gz PGGQZOAODFGIJL-QGZVFWFLSA-N 2 2 341.459 1.982 50 0 EDAALP C[N@@H+](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000072276176 216101584 /nfs/dbraw/zinc/10/15/84/216101584.db2.gz PGGQZOAODFGIJL-QGZVFWFLSA-N 2 2 341.459 1.982 50 0 EDAALP O=C1CC[C@H]2C[N@H+](Cc3ncc[nH]3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072429959 216221845 /nfs/dbraw/zinc/22/18/45/216221845.db2.gz CKIQWPMTCIXFEZ-JKSUJKDBSA-N 2 2 342.447 1.509 50 0 EDAALP O=C1CC[C@H]2C[N@@H+](Cc3ncc[nH]3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072429959 216221848 /nfs/dbraw/zinc/22/18/48/216221848.db2.gz CKIQWPMTCIXFEZ-JKSUJKDBSA-N 2 2 342.447 1.509 50 0 EDAALP O=C(Cn1cc[nH+]c1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072432460 216226412 /nfs/dbraw/zinc/22/64/12/216226412.db2.gz ILFFEBLKEXJYFI-UHFFFAOYSA-N 2 2 328.460 1.996 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000072477192 216255150 /nfs/dbraw/zinc/25/51/50/216255150.db2.gz AXOWBOBTAJLSDI-ZDUSSCGKSA-N 2 2 342.451 1.167 50 0 EDAALP Cn1cc[nH+]c1CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000216143686 241167293 /nfs/dbraw/zinc/16/72/93/241167293.db2.gz AVCSZUWMJAJOSI-UHFFFAOYSA-N 2 2 326.404 1.721 50 0 EDAALP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc(C)c1O ZINC000020908735 212186938 /nfs/dbraw/zinc/18/69/38/212186938.db2.gz GBCBLSXVEVJRJT-QZTJIDSGSA-N 2 2 333.476 1.192 50 0 EDAALP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc(C)c1O ZINC000020908735 212186942 /nfs/dbraw/zinc/18/69/42/212186942.db2.gz GBCBLSXVEVJRJT-QZTJIDSGSA-N 2 2 333.476 1.192 50 0 EDAALP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078604785 217085951 /nfs/dbraw/zinc/08/59/51/217085951.db2.gz GWNZZYRONHYXNQ-HNNXBMFYSA-N 2 2 331.464 1.964 50 0 EDAALP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000078604785 217085952 /nfs/dbraw/zinc/08/59/52/217085952.db2.gz GWNZZYRONHYXNQ-HNNXBMFYSA-N 2 2 331.464 1.964 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cc(N)[nH+]c(N)n2)CC1 ZINC000095352286 218285437 /nfs/dbraw/zinc/28/54/37/218285437.db2.gz HNFIEBNZQFDCDS-UHFFFAOYSA-N 3 2 344.467 1.173 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cc(N)nc(N)[nH+]2)CC1 ZINC000095352286 218285440 /nfs/dbraw/zinc/28/54/40/218285440.db2.gz HNFIEBNZQFDCDS-UHFFFAOYSA-N 3 2 344.467 1.173 50 0 EDAALP COc1ccc2c(c1)CCN(C(=O)C[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000095360603 218293447 /nfs/dbraw/zinc/29/34/47/218293447.db2.gz YVOWUOGSZNKVEZ-UHFFFAOYSA-N 2 2 345.487 1.648 50 0 EDAALP COc1ccc2c(c1)CCN(C(=O)C[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000095360603 218293451 /nfs/dbraw/zinc/29/34/51/218293451.db2.gz YVOWUOGSZNKVEZ-UHFFFAOYSA-N 2 2 345.487 1.648 50 0 EDAALP C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc2c1C[N@H+](C)CC2 ZINC000299788262 258094818 /nfs/dbraw/zinc/09/48/18/258094818.db2.gz XZIVBJJADOXEOP-HNNXBMFYSA-N 2 2 339.443 1.184 50 0 EDAALP C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc2c1C[N@@H+](C)CC2 ZINC000299788262 258094820 /nfs/dbraw/zinc/09/48/20/258094820.db2.gz XZIVBJJADOXEOP-HNNXBMFYSA-N 2 2 339.443 1.184 50 0 EDAALP C[NH+]1CCc2n[nH]c(C(=O)NC[C@@H]3Cc4ccccc4C[N@@H+]3C)c2C1 ZINC000299788262 258094822 /nfs/dbraw/zinc/09/48/22/258094822.db2.gz XZIVBJJADOXEOP-HNNXBMFYSA-N 2 2 339.443 1.184 50 0 EDAALP C[NH+]1CCc2n[nH]c(C(=O)NC[C@@H]3Cc4ccccc4C[N@H+]3C)c2C1 ZINC000299788262 258094824 /nfs/dbraw/zinc/09/48/24/258094824.db2.gz XZIVBJJADOXEOP-HNNXBMFYSA-N 2 2 339.443 1.184 50 0 EDAALP CCS(=O)(=O)N[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000058283508 441172098 /nfs/dbraw/zinc/17/20/98/441172098.db2.gz JKTASLMQEIWYAX-QGZVFWFLSA-N 2 2 339.505 1.693 50 0 EDAALP CCS(=O)(=O)N[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000058283508 441172103 /nfs/dbraw/zinc/17/21/03/441172103.db2.gz JKTASLMQEIWYAX-QGZVFWFLSA-N 2 2 339.505 1.693 50 0 EDAALP C[NH+]1CCN(c2cc(C(=O)NCCCCn3cc[nH+]c3)ccn2)CC1 ZINC000072281245 441219747 /nfs/dbraw/zinc/21/97/47/441219747.db2.gz QYTWYAHBTVOVHX-UHFFFAOYSA-N 2 2 342.447 1.240 50 0 EDAALP O=C(C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1)N1CCOCC1 ZINC000082127108 441335903 /nfs/dbraw/zinc/33/59/03/441335903.db2.gz RVAIXCIGBHEFIG-INIZCTEOSA-N 2 2 332.448 1.331 50 0 EDAALP O=C(C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1)N1CCOCC1 ZINC000082127108 441335907 /nfs/dbraw/zinc/33/59/07/441335907.db2.gz RVAIXCIGBHEFIG-INIZCTEOSA-N 2 2 332.448 1.331 50 0 EDAALP O=C(CCc1cn2ccccc2[nH+]1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082121073 441335969 /nfs/dbraw/zinc/33/59/69/441335969.db2.gz GXJUVZOOCMFLGB-UHFFFAOYSA-N 2 2 338.415 1.273 50 0 EDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000082134448 441336953 /nfs/dbraw/zinc/33/69/53/441336953.db2.gz SLSAARCJPHMWGX-UHFFFAOYSA-N 2 2 348.495 1.161 50 0 EDAALP Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000065465651 441440622 /nfs/dbraw/zinc/44/06/22/441440622.db2.gz HDQDGKMWTJOBHL-UHFFFAOYSA-N 2 2 348.882 1.819 50 0 EDAALP C[C@](O)(CNc1nc(C2CC2)[nH+]c2c1CCC2)C[NH+]1CCOCC1 ZINC000095980563 441968362 /nfs/dbraw/zinc/96/83/62/441968362.db2.gz PIJDWJIFDMRYRI-SFHVURJKSA-N 2 2 332.448 1.338 50 0 EDAALP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000069919135 442073311 /nfs/dbraw/zinc/07/33/11/442073311.db2.gz YLBYKBOUZVFVQQ-INIZCTEOSA-N 2 2 333.480 1.329 50 0 EDAALP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000069919135 442073317 /nfs/dbraw/zinc/07/33/17/442073317.db2.gz YLBYKBOUZVFVQQ-INIZCTEOSA-N 2 2 333.480 1.329 50 0 EDAALP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000182893263 442842340 /nfs/dbraw/zinc/84/23/40/442842340.db2.gz RTFNKHPEXIVICN-GOSISDBHSA-N 2 2 327.476 1.936 50 0 EDAALP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000182893263 442842343 /nfs/dbraw/zinc/84/23/43/442842343.db2.gz RTFNKHPEXIVICN-GOSISDBHSA-N 2 2 327.476 1.936 50 0 EDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1F ZINC000237300802 443167752 /nfs/dbraw/zinc/16/77/52/443167752.db2.gz VHNXUGBLIQKURL-JKSUJKDBSA-N 2 2 349.450 1.996 50 0 EDAALP Cn1cc([C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)[NH+](C)C)cn1 ZINC000302905610 444231084 /nfs/dbraw/zinc/23/10/84/444231084.db2.gz SQLZRWVYLYBTRW-CQSZACIVSA-N 2 2 347.492 1.478 50 0 EDAALP C[NH+](C)C[C@]1(O)CCN(C(=O)c2cccc(-c3ccc[nH+]c3N)c2)C1 ZINC000584887495 448665622 /nfs/dbraw/zinc/66/56/22/448665622.db2.gz OUYAQWBDBKSFPH-LJQANCHMSA-N 2 2 340.427 1.469 50 0 EDAALP CC(=O)N1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051154555 214081021 /nfs/dbraw/zinc/08/10/21/214081021.db2.gz PHOPGWHOBDNJAP-QGZVFWFLSA-N 2 2 344.459 1.568 50 0 EDAALP CC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051154555 214081022 /nfs/dbraw/zinc/08/10/22/214081022.db2.gz PHOPGWHOBDNJAP-QGZVFWFLSA-N 2 2 344.459 1.568 50 0 EDAALP Cc1noc([C@]23C[NH+](CCc4c(C)noc4C)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685941063 539579440 /nfs/dbraw/zinc/57/94/40/539579440.db2.gz PIXPANIMDBRYAD-CRAIPNDOSA-N 2 2 345.447 1.731 50 0 EDAALP Cc1noc([C@]23C[NH+](CCc4c(C)noc4C)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685941063 539579445 /nfs/dbraw/zinc/57/94/45/539579445.db2.gz PIXPANIMDBRYAD-CRAIPNDOSA-N 2 2 345.447 1.731 50 0 EDAALP Cc1noc([C@]23C[N@H+](CCc4c(C)noc4C)C[C@H]2C[NH+](C)CC3)n1 ZINC000685941063 539579447 /nfs/dbraw/zinc/57/94/47/539579447.db2.gz PIXPANIMDBRYAD-CRAIPNDOSA-N 2 2 345.447 1.731 50 0 EDAALP Cc1noc([C@]23C[N@@H+](CCc4c(C)noc4C)C[C@H]2C[NH+](C)CC3)n1 ZINC000685941063 539579451 /nfs/dbraw/zinc/57/94/51/539579451.db2.gz PIXPANIMDBRYAD-CRAIPNDOSA-N 2 2 345.447 1.731 50 0 EDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067947988 215257377 /nfs/dbraw/zinc/25/73/77/215257377.db2.gz DQKWFQIGKNYPKO-UHFFFAOYSA-N 3 2 347.507 1.464 50 0 EDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067947988 215257379 /nfs/dbraw/zinc/25/73/79/215257379.db2.gz DQKWFQIGKNYPKO-UHFFFAOYSA-N 3 2 347.507 1.464 50 0 EDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067947988 215257383 /nfs/dbraw/zinc/25/73/83/215257383.db2.gz DQKWFQIGKNYPKO-UHFFFAOYSA-N 2 2 347.507 1.464 50 0 EDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067947988 215257385 /nfs/dbraw/zinc/25/73/85/215257385.db2.gz DQKWFQIGKNYPKO-UHFFFAOYSA-N 2 2 347.507 1.464 50 0 EDAALP Cc1ncc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)s1 ZINC000039468553 213238542 /nfs/dbraw/zinc/23/85/42/213238542.db2.gz VVWUHMHBOXTPJY-MRXNPFEDSA-N 2 2 338.521 1.414 50 0 EDAALP Cc1ncc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)s1 ZINC000039468553 213238545 /nfs/dbraw/zinc/23/85/45/213238545.db2.gz VVWUHMHBOXTPJY-MRXNPFEDSA-N 2 2 338.521 1.414 50 0 EDAALP C[N@H+](CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000072274021 216097353 /nfs/dbraw/zinc/09/73/53/216097353.db2.gz QTEUDVJSSRMUDX-UHFFFAOYSA-N 2 2 326.485 1.271 50 0 EDAALP C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000072274021 216097354 /nfs/dbraw/zinc/09/73/54/216097354.db2.gz QTEUDVJSSRMUDX-UHFFFAOYSA-N 2 2 326.485 1.271 50 0 EDAALP COCCn1c(Cn2c[nH+]c(C(C)(C)C)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244774033 243078288 /nfs/dbraw/zinc/07/82/88/243078288.db2.gz PMVFMXLSKVXLCI-BETUJISGSA-N 2 2 332.452 1.672 50 0 EDAALP CSc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc1 ZINC000020454394 212131562 /nfs/dbraw/zinc/13/15/62/212131562.db2.gz BCBCLUGTYIDYTA-QZTJIDSGSA-N 2 2 335.517 1.591 50 0 EDAALP CSc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc1 ZINC000020454394 212131563 /nfs/dbraw/zinc/13/15/63/212131563.db2.gz BCBCLUGTYIDYTA-QZTJIDSGSA-N 2 2 335.517 1.591 50 0 EDAALP C[C@H](O)CN1CC2(CCC1=O)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000092020916 299465690 /nfs/dbraw/zinc/46/56/90/299465690.db2.gz CSAHNDPAPGJDHM-INIZCTEOSA-N 2 2 334.464 1.359 50 0 EDAALP Cc1ccccc1[C@@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000095352014 218286264 /nfs/dbraw/zinc/28/62/64/218286264.db2.gz JMJXSCJNMQGSDI-IBGZPJMESA-N 2 2 345.487 1.921 50 0 EDAALP CN1CC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC000216020610 258072249 /nfs/dbraw/zinc/07/22/49/258072249.db2.gz HTOYQGBMRWATFN-LJQANCHMSA-N 2 2 347.503 1.660 50 0 EDAALP CN1CC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC000216020610 258072251 /nfs/dbraw/zinc/07/22/51/258072251.db2.gz HTOYQGBMRWATFN-LJQANCHMSA-N 2 2 347.503 1.660 50 0 EDAALP C[NH+]1CC23CN(C(=O)C[C@@H]4CCc5ccccc54)CC2(C1)C[NH+](C)C3 ZINC000091468944 277022964 /nfs/dbraw/zinc/02/29/64/277022964.db2.gz YZEBYJDEIAHGLM-RPCJCACASA-N 2 2 339.483 1.812 50 0 EDAALP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000071875841 278293548 /nfs/dbraw/zinc/29/35/48/278293548.db2.gz MYZOZYSLZRDLOX-WMZOPIPTSA-N 2 2 331.460 1.349 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@@H](C)O1 ZINC000044949323 440920241 /nfs/dbraw/zinc/92/02/41/440920241.db2.gz DKKQNGKTJBBERR-KFWWJZLASA-N 2 2 338.452 1.291 50 0 EDAALP CC(C)(CNC(=O)NCCc1cn2ccccc2[nH+]1)[NH+]1CCOCC1 ZINC000045857685 441049545 /nfs/dbraw/zinc/04/95/45/441049545.db2.gz FXGIIXQXDPLCMV-UHFFFAOYSA-N 2 2 345.447 1.287 50 0 EDAALP COc1c(C[NH2+]Cc2cccnc2-n2cc[nH+]c2C)c(C)nn1C ZINC000058299773 441176618 /nfs/dbraw/zinc/17/66/18/441176618.db2.gz ALLZIJNZAFFRRU-UHFFFAOYSA-N 2 2 326.404 1.916 50 0 EDAALP COc1c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)nn1C ZINC000058404205 441191107 /nfs/dbraw/zinc/19/11/07/441191107.db2.gz DJDUUXANCUOLSI-UHFFFAOYSA-N 2 2 344.459 1.859 50 0 EDAALP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)c2cnn(C)c2)n1-c1ccccc1 ZINC000084046956 441382313 /nfs/dbraw/zinc/38/23/13/441382313.db2.gz BUQZYDFMISALEU-SFHVURJKSA-N 2 2 325.416 1.912 50 0 EDAALP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccccc1F ZINC000089761364 441576385 /nfs/dbraw/zinc/57/63/85/441576385.db2.gz WJMOUXMYVUXELU-MRXNPFEDSA-N 2 2 345.422 1.996 50 0 EDAALP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000089761364 441576388 /nfs/dbraw/zinc/57/63/88/441576388.db2.gz WJMOUXMYVUXELU-MRXNPFEDSA-N 2 2 345.422 1.996 50 0 EDAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccco3)CC2)[nH+]cn1 ZINC000067622726 441659643 /nfs/dbraw/zinc/65/96/43/441659643.db2.gz RYLAGRBYQOYFHK-UHFFFAOYSA-N 2 2 338.371 1.526 50 0 EDAALP O=C([C@@H]1CCC[NH2+]1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091270183 441691284 /nfs/dbraw/zinc/69/12/84/441691284.db2.gz AYYVENDDMYYEBM-KRWDZBQOSA-N 2 2 339.443 1.784 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000077390787 441771284 /nfs/dbraw/zinc/77/12/84/441771284.db2.gz URZLPSRESVYYIR-UHFFFAOYSA-N 2 2 343.479 1.904 50 0 EDAALP Cc1nonc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095438366 441926469 /nfs/dbraw/zinc/92/64/69/441926469.db2.gz YPUVAFYNKBFEHC-HZPDHXFCSA-N 2 2 349.479 1.787 50 0 EDAALP Cc1nonc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095438366 441926473 /nfs/dbraw/zinc/92/64/73/441926473.db2.gz YPUVAFYNKBFEHC-HZPDHXFCSA-N 2 2 349.479 1.787 50 0 EDAALP CNC(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000095529454 441951700 /nfs/dbraw/zinc/95/17/00/441951700.db2.gz YGOFMCTUESCXIZ-UHFFFAOYSA-N 2 2 331.460 1.984 50 0 EDAALP CCCc1cc(N2CCC([N@@H+]3CC[C@@](O)(CO)C3)CC2)nc(C)[nH+]1 ZINC000096138197 442042261 /nfs/dbraw/zinc/04/22/61/442042261.db2.gz ZEBQOAQZYKKBFW-SFHVURJKSA-N 2 2 334.464 1.135 50 0 EDAALP CCCc1cc(N2CCC([N@H+]3CC[C@@](O)(CO)C3)CC2)nc(C)[nH+]1 ZINC000096138197 442042266 /nfs/dbraw/zinc/04/22/66/442042266.db2.gz ZEBQOAQZYKKBFW-SFHVURJKSA-N 2 2 334.464 1.135 50 0 EDAALP C[C@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000096414937 442119701 /nfs/dbraw/zinc/11/97/01/442119701.db2.gz XOMJIRFCRRGFOH-DOTOQJQBSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000096414937 442119704 /nfs/dbraw/zinc/11/97/04/442119704.db2.gz XOMJIRFCRRGFOH-DOTOQJQBSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@H]1C[C@H]([N@H+](C)CCNS(C)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000096414937 442119707 /nfs/dbraw/zinc/11/97/07/442119707.db2.gz XOMJIRFCRRGFOH-DOTOQJQBSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@H]1C[C@H]([N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000096414937 442119711 /nfs/dbraw/zinc/11/97/11/442119711.db2.gz XOMJIRFCRRGFOH-DOTOQJQBSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096420661 442121724 /nfs/dbraw/zinc/12/17/24/442121724.db2.gz QSRHEVOXAZYCGC-RDJZCZTQSA-N 2 2 328.416 1.289 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096420661 442121728 /nfs/dbraw/zinc/12/17/28/442121728.db2.gz QSRHEVOXAZYCGC-RDJZCZTQSA-N 2 2 328.416 1.289 50 0 EDAALP Cc1nc(C2=CC[NH+](CC(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000230156501 443133395 /nfs/dbraw/zinc/13/33/95/443133395.db2.gz RIFXJTGTMRMFRZ-CQSZACIVSA-N 2 2 347.463 1.458 50 0 EDAALP Cc1nc(C2=CC[N@H+](CC(=O)NCC[NH+]3CCCC[C@H]3C)CC2)no1 ZINC000230156501 443133403 /nfs/dbraw/zinc/13/34/03/443133403.db2.gz RIFXJTGTMRMFRZ-CQSZACIVSA-N 2 2 347.463 1.458 50 0 EDAALP Cc1nc(C2=CC[N@@H+](CC(=O)NCC[NH+]3CCCC[C@H]3C)CC2)no1 ZINC000230156501 443133409 /nfs/dbraw/zinc/13/34/09/443133409.db2.gz RIFXJTGTMRMFRZ-CQSZACIVSA-N 2 2 347.463 1.458 50 0 EDAALP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1Cn1cncn1 ZINC000257365390 443158091 /nfs/dbraw/zinc/15/80/91/443158091.db2.gz WZMSVXJUALYVCH-ROUUACIJSA-N 2 2 329.448 1.235 50 0 EDAALP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1Cn1cncn1 ZINC000257365390 443158092 /nfs/dbraw/zinc/15/80/92/443158092.db2.gz WZMSVXJUALYVCH-ROUUACIJSA-N 2 2 329.448 1.235 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000257365390 443158095 /nfs/dbraw/zinc/15/80/95/443158095.db2.gz WZMSVXJUALYVCH-ROUUACIJSA-N 2 2 329.448 1.235 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000257365390 443158097 /nfs/dbraw/zinc/15/80/97/443158097.db2.gz WZMSVXJUALYVCH-ROUUACIJSA-N 2 2 329.448 1.235 50 0 EDAALP CN1CC[NH+](CCOc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000222982912 485801917 /nfs/dbraw/zinc/80/19/17/485801917.db2.gz ZLIOTQDOAZJGBI-UHFFFAOYSA-N 2 2 333.476 1.270 50 0 EDAALP OCCOc1ccccc1C[N@@H+]1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000097619418 219041953 /nfs/dbraw/zinc/04/19/53/219041953.db2.gz YBJTYKYRGVARDG-GOSISDBHSA-N 2 2 334.460 1.744 50 0 EDAALP OCCOc1ccccc1C[N@H+]1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000097619418 219041955 /nfs/dbraw/zinc/04/19/55/219041955.db2.gz YBJTYKYRGVARDG-GOSISDBHSA-N 2 2 334.460 1.744 50 0 EDAALP COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000067605776 215168308 /nfs/dbraw/zinc/16/83/08/215168308.db2.gz ZCMBDWXSALYGOQ-CQSZACIVSA-N 2 2 347.459 1.547 50 0 EDAALP COc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000067605776 215168310 /nfs/dbraw/zinc/16/83/10/215168310.db2.gz ZCMBDWXSALYGOQ-CQSZACIVSA-N 2 2 347.459 1.547 50 0 EDAALP COCCNc1[nH+]c2cc(C(=O)N3CCC[C@H]([NH3+])CC3)ccc2n1C ZINC000072146147 216032186 /nfs/dbraw/zinc/03/21/86/216032186.db2.gz SWRVDJYMBFBUIX-AWEZNQCLSA-N 2 2 345.447 1.585 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072434248 216229270 /nfs/dbraw/zinc/22/92/70/216229270.db2.gz IQMLWILQMSWRAM-HNNXBMFYSA-N 3 2 332.496 1.342 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072434248 216229273 /nfs/dbraw/zinc/22/92/73/216229273.db2.gz IQMLWILQMSWRAM-HNNXBMFYSA-N 3 2 332.496 1.342 50 0 EDAALP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C)CC[NH+](C)CC2 ZINC000072463247 216244760 /nfs/dbraw/zinc/24/47/60/216244760.db2.gz MJVXYXWZRNPRBZ-INIZCTEOSA-N 3 2 347.507 1.575 50 0 EDAALP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C)CC[NH+](C)CC2 ZINC000072463247 216244762 /nfs/dbraw/zinc/24/47/62/216244762.db2.gz MJVXYXWZRNPRBZ-INIZCTEOSA-N 3 2 347.507 1.575 50 0 EDAALP Cc1cccn2c(CNC(=O)CCc3cc4n(n3)CC[NH2+]C4)c[nH+]c12 ZINC000072476650 216254466 /nfs/dbraw/zinc/25/44/66/216254466.db2.gz HFUFBMRKTYORFD-UHFFFAOYSA-N 2 2 338.415 1.191 50 0 EDAALP CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000215755605 241144690 /nfs/dbraw/zinc/14/46/90/241144690.db2.gz XRXQCAFBTWNBOE-CYBMUJFWSA-N 2 2 330.432 1.962 50 0 EDAALP C[C@H]([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)n1cccn1 ZINC000229570544 242181280 /nfs/dbraw/zinc/18/12/80/242181280.db2.gz SYMGGIRTUUNZCJ-FRQCXROJSA-N 2 2 328.460 1.841 50 0 EDAALP C[C@H]([C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)n1cccn1 ZINC000229570544 242181284 /nfs/dbraw/zinc/18/12/84/242181284.db2.gz SYMGGIRTUUNZCJ-FRQCXROJSA-N 2 2 328.460 1.841 50 0 EDAALP Nc1nc(N2CCC(O)(c3ccccn3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000243919587 243034168 /nfs/dbraw/zinc/03/41/68/243034168.db2.gz BPHCRMLMKRRRQX-BETUJISGSA-N 2 2 340.431 1.147 50 0 EDAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](CCn2c(=O)cc(C)[nH]c2=O)C1 ZINC000253536605 244014349 /nfs/dbraw/zinc/01/43/49/244014349.db2.gz XVNRYGXCLFXPBJ-AWEZNQCLSA-N 2 2 331.420 1.353 50 0 EDAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCn2c(=O)cc(C)[nH]c2=O)C1 ZINC000253536605 244014354 /nfs/dbraw/zinc/01/43/54/244014354.db2.gz XVNRYGXCLFXPBJ-AWEZNQCLSA-N 2 2 331.420 1.353 50 0 EDAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@H+](CCCc2ccccc2)C1 ZINC000091848728 218077644 /nfs/dbraw/zinc/07/76/44/218077644.db2.gz RWXVWIATDPGTDV-WOJBJXKFSA-N 2 2 332.488 1.882 50 0 EDAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@@H+](CCCc2ccccc2)C1 ZINC000091848728 218077647 /nfs/dbraw/zinc/07/76/47/218077647.db2.gz RWXVWIATDPGTDV-WOJBJXKFSA-N 2 2 332.488 1.882 50 0 EDAALP O=C1NCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408524821 250303841 /nfs/dbraw/zinc/30/38/41/250303841.db2.gz ZOTKYCBVNZVQOO-HZPDHXFCSA-N 2 2 344.459 1.661 50 0 EDAALP O=C1NCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408524821 250303844 /nfs/dbraw/zinc/30/38/44/250303844.db2.gz ZOTKYCBVNZVQOO-HZPDHXFCSA-N 2 2 344.459 1.661 50 0 EDAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2nc(CO)cs2)C1 ZINC000095392252 218323305 /nfs/dbraw/zinc/32/33/05/218323305.db2.gz KZFLNXSAMHLMEA-CYBMUJFWSA-N 2 2 335.477 1.778 50 0 EDAALP CCCCc1[nH]c(C[N@@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c[nH+]1 ZINC000299794207 258099231 /nfs/dbraw/zinc/09/92/31/258099231.db2.gz IIWXVWNSANUDTC-RUENVJTFSA-N 2 2 349.475 1.741 50 0 EDAALP CCCCc1[nH]c(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c[nH+]1 ZINC000299794207 258099232 /nfs/dbraw/zinc/09/92/32/258099232.db2.gz IIWXVWNSANUDTC-RUENVJTFSA-N 2 2 349.475 1.741 50 0 EDAALP CNc1nc(NCc2c[nH+]cn2CCOC)cc([C@H]2CCOC2)[nH+]1 ZINC000299766095 258080837 /nfs/dbraw/zinc/08/08/37/258080837.db2.gz CFCXQHKCYKKRQX-LBPRGKRZSA-N 2 2 332.408 1.477 50 0 EDAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cnc(N3CCCC3)s2)C[C@@H]1CO ZINC000091546991 276073945 /nfs/dbraw/zinc/07/39/45/276073945.db2.gz XVHMIEXNVOOGRL-HUUCEWRRSA-N 2 2 338.521 1.735 50 0 EDAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cnc(N3CCCC3)s2)C[C@@H]1CO ZINC000091546991 276073947 /nfs/dbraw/zinc/07/39/47/276073947.db2.gz XVHMIEXNVOOGRL-HUUCEWRRSA-N 2 2 338.521 1.735 50 0 EDAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cnc(N3CCCC3)s2)C[C@@H]1CO ZINC000091546991 276073949 /nfs/dbraw/zinc/07/39/49/276073949.db2.gz XVHMIEXNVOOGRL-HUUCEWRRSA-N 2 2 338.521 1.735 50 0 EDAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cnc(N3CCCC3)s2)C[C@@H]1CO ZINC000091546991 276073950 /nfs/dbraw/zinc/07/39/50/276073950.db2.gz XVHMIEXNVOOGRL-HUUCEWRRSA-N 2 2 338.521 1.735 50 0 EDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583647 441136645 /nfs/dbraw/zinc/13/66/45/441136645.db2.gz ZLWPGZQQAYONAZ-KRWDZBQOSA-N 3 2 336.524 1.537 50 0 EDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583647 441136647 /nfs/dbraw/zinc/13/66/47/441136647.db2.gz ZLWPGZQQAYONAZ-KRWDZBQOSA-N 3 2 336.524 1.537 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000047029142 441149513 /nfs/dbraw/zinc/14/95/13/441149513.db2.gz HRMVIOULCBLMCC-AWEZNQCLSA-N 2 2 333.461 1.861 50 0 EDAALP O=C(OCc1ccccc1)N1CCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000072454832 441232096 /nfs/dbraw/zinc/23/20/96/441232096.db2.gz OGYWZQUJJRSHSN-LJQANCHMSA-N 2 2 347.459 1.445 50 0 EDAALP O=C(OCc1ccccc1)N1CCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000072454832 441232099 /nfs/dbraw/zinc/23/20/99/441232099.db2.gz OGYWZQUJJRSHSN-LJQANCHMSA-N 2 2 347.459 1.445 50 0 EDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000072277912 441217271 /nfs/dbraw/zinc/21/72/71/441217271.db2.gz GOXGJVMPLTZNPB-IAGOWNOFSA-N 2 2 339.443 1.764 50 0 EDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000072277912 441217275 /nfs/dbraw/zinc/21/72/75/441217275.db2.gz GOXGJVMPLTZNPB-IAGOWNOFSA-N 2 2 339.443 1.764 50 0 EDAALP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000072278667 441217823 /nfs/dbraw/zinc/21/78/23/441217823.db2.gz IJQIMZIUCVYFDV-CQSZACIVSA-N 2 2 328.416 1.568 50 0 EDAALP COc1cc(N2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000107014050 441396811 /nfs/dbraw/zinc/39/68/11/441396811.db2.gz SGTQLWCFFFTKAR-CYBMUJFWSA-N 2 2 347.419 1.042 50 0 EDAALP COc1cc(N2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000107014050 441396814 /nfs/dbraw/zinc/39/68/14/441396814.db2.gz SGTQLWCFFFTKAR-CYBMUJFWSA-N 2 2 347.419 1.042 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)n1 ZINC000107009404 441397016 /nfs/dbraw/zinc/39/70/16/441397016.db2.gz BQGYUDVMTMVJBS-QGZVFWFLSA-N 2 2 341.459 1.565 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)n1 ZINC000107009404 441397018 /nfs/dbraw/zinc/39/70/18/441397018.db2.gz BQGYUDVMTMVJBS-QGZVFWFLSA-N 2 2 341.459 1.565 50 0 EDAALP Cc1c[nH+]ccc1N1CC[NH+](C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063857097 441358693 /nfs/dbraw/zinc/35/86/93/441358693.db2.gz CBSMJRPAIOHHES-WOJBJXKFSA-N 3 2 344.503 1.891 50 0 EDAALP Cc1c[nH+]ccc1N1CC[NH+](C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063857097 441358696 /nfs/dbraw/zinc/35/86/96/441358696.db2.gz CBSMJRPAIOHHES-WOJBJXKFSA-N 3 2 344.503 1.891 50 0 EDAALP COCC[N@H+](Cc1cnn(C)c1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063871555 441360188 /nfs/dbraw/zinc/36/01/88/441360188.db2.gz IHZYLGQLHWSAOI-QZTJIDSGSA-N 2 2 336.480 1.248 50 0 EDAALP COCC[N@@H+](Cc1cnn(C)c1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063871555 441360192 /nfs/dbraw/zinc/36/01/92/441360192.db2.gz IHZYLGQLHWSAOI-QZTJIDSGSA-N 2 2 336.480 1.248 50 0 EDAALP COCC[NH+](Cc1cnn(C)c1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063871555 441360196 /nfs/dbraw/zinc/36/01/96/441360196.db2.gz IHZYLGQLHWSAOI-QZTJIDSGSA-N 2 2 336.480 1.248 50 0 EDAALP COCC[NH+](Cc1cnn(C)c1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063871555 441360201 /nfs/dbraw/zinc/36/02/01/441360201.db2.gz IHZYLGQLHWSAOI-QZTJIDSGSA-N 2 2 336.480 1.248 50 0 EDAALP Cc1cc(N(C)CCCc2[nH+]ccn2C)nc(N2CCOCC2)[nH+]1 ZINC000065435097 441433407 /nfs/dbraw/zinc/43/34/07/441433407.db2.gz ZQEXCWDWBXZDFF-UHFFFAOYSA-N 2 2 330.436 1.424 50 0 EDAALP Cc1cccn2cc(CC(=O)NCC[NH+]3C[C@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000065626528 441473749 /nfs/dbraw/zinc/47/37/49/441473749.db2.gz XLTVUOZACAKAKA-GJZGRUSLSA-N 2 2 330.432 1.411 50 0 EDAALP CN(c1ccccc1C[NH2+]Cc1ncnn1C)C1CC[NH+](C)CC1 ZINC000089741175 441574273 /nfs/dbraw/zinc/57/42/73/441574273.db2.gz NZSSAUQDOLTFMS-UHFFFAOYSA-N 2 2 328.464 1.635 50 0 EDAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000090003519 441611282 /nfs/dbraw/zinc/61/12/82/441611282.db2.gz WKAJFDXPTVITKH-HNNXBMFYSA-N 2 2 340.431 1.184 50 0 EDAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000090003519 441611287 /nfs/dbraw/zinc/61/12/87/441611287.db2.gz WKAJFDXPTVITKH-HNNXBMFYSA-N 2 2 340.431 1.184 50 0 EDAALP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)no1 ZINC000090004054 441611741 /nfs/dbraw/zinc/61/17/41/441611741.db2.gz MTCQPRYUQCFWJQ-CQSZACIVSA-N 2 2 331.420 2.000 50 0 EDAALP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)no1 ZINC000090004054 441611745 /nfs/dbraw/zinc/61/17/45/441611745.db2.gz MTCQPRYUQCFWJQ-CQSZACIVSA-N 2 2 331.420 2.000 50 0 EDAALP Cc1cccn2cc(CC(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)[nH+]c12 ZINC000076051232 441586956 /nfs/dbraw/zinc/58/69/56/441586956.db2.gz IQQAOFJIBCGKIX-DOTOQJQBSA-N 2 2 342.443 1.364 50 0 EDAALP C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000076056942 441589431 /nfs/dbraw/zinc/58/94/31/441589431.db2.gz BVNMLPXPCJUPMJ-HOCLYGCPSA-N 2 2 344.415 1.317 50 0 EDAALP Cc1n[nH]c(C)c1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000097159530 442177150 /nfs/dbraw/zinc/17/71/50/442177150.db2.gz ABDZHSKTGNPEDU-UHFFFAOYSA-N 2 2 329.452 1.118 50 0 EDAALP Cc1[nH+]ccn1CCNC(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000252483268 443028286 /nfs/dbraw/zinc/02/82/86/443028286.db2.gz DYEJGLCFBUROOI-INIZCTEOSA-N 2 2 330.388 1.339 50 0 EDAALP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000252486289 443029487 /nfs/dbraw/zinc/02/94/87/443029487.db2.gz HTIUAYQXTSAXAE-YYIAUSFCSA-N 2 2 337.508 1.722 50 0 EDAALP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000252486289 443029491 /nfs/dbraw/zinc/02/94/91/443029491.db2.gz HTIUAYQXTSAXAE-YYIAUSFCSA-N 2 2 337.508 1.722 50 0 EDAALP Cc1cc[nH+]c(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000195539191 443030915 /nfs/dbraw/zinc/03/09/15/443030915.db2.gz IUGWPTNMVSSWQF-UHFFFAOYSA-N 2 2 340.431 1.343 50 0 EDAALP Cc1cc[nH+]c(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000195539191 443030921 /nfs/dbraw/zinc/03/09/21/443030921.db2.gz IUGWPTNMVSSWQF-UHFFFAOYSA-N 2 2 340.431 1.343 50 0 EDAALP COc1cccc(OCCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000223270470 443087291 /nfs/dbraw/zinc/08/72/91/443087291.db2.gz SIUUQXVGADRTEX-UHFFFAOYSA-N 2 2 343.431 1.787 50 0 EDAALP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000225398373 443101285 /nfs/dbraw/zinc/10/12/85/443101285.db2.gz WYRAIHNFGBDAQY-UHFFFAOYSA-N 2 2 327.432 1.980 50 0 EDAALP Cn1cc[nH+]c1CN(CCO)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584896814 448669671 /nfs/dbraw/zinc/66/96/71/448669671.db2.gz WHYFOQFGXYAOCJ-AWEZNQCLSA-N 2 2 337.468 1.044 50 0 EDAALP Cn1cc[nH+]c1CN(CCO)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000584896814 448669672 /nfs/dbraw/zinc/66/96/72/448669672.db2.gz WHYFOQFGXYAOCJ-AWEZNQCLSA-N 2 2 337.468 1.044 50 0 EDAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N(C)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000071776377 491166779 /nfs/dbraw/zinc/16/67/79/491166779.db2.gz HNDOGPAWTCDMPE-INIZCTEOSA-N 3 2 347.507 1.953 50 0 EDAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N(C)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000071776377 491166783 /nfs/dbraw/zinc/16/67/83/491166783.db2.gz HNDOGPAWTCDMPE-INIZCTEOSA-N 3 2 347.507 1.953 50 0 EDAALP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](O)Cc3ccccc3)CC2)CC1 ZINC000331399552 536339816 /nfs/dbraw/zinc/33/98/16/536339816.db2.gz GMFVJQQPXOXXEP-IBGZPJMESA-N 2 2 345.487 1.265 50 0 EDAALP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000848549499 595404752 /nfs/dbraw/zinc/40/47/52/595404752.db2.gz PXRQNBMLANLDBE-CRFBAAHOSA-N 2 2 348.443 1.680 50 0 EDAALP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939927 539576887 /nfs/dbraw/zinc/57/68/87/539576887.db2.gz DZSYONLKKQDEML-HOCLYGCPSA-N 2 2 332.448 1.187 50 0 EDAALP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939927 539576890 /nfs/dbraw/zinc/57/68/90/539576890.db2.gz DZSYONLKKQDEML-HOCLYGCPSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939927 539576896 /nfs/dbraw/zinc/57/68/96/539576896.db2.gz DZSYONLKKQDEML-HOCLYGCPSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939927 539576900 /nfs/dbraw/zinc/57/69/00/539576900.db2.gz DZSYONLKKQDEML-HOCLYGCPSA-N 2 2 332.448 1.187 50 0 EDAALP CC[NH+](CC)Cc1cnc2c(C(=O)NCCc3[nH]cc[nH+]3)cnn2c1 ZINC000067458894 215147992 /nfs/dbraw/zinc/14/79/92/215147992.db2.gz UMAIJLIKVTWHDV-UHFFFAOYSA-N 2 2 341.419 1.267 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccnc(Cl)c1)CCC[N@@H+]2C ZINC000067805532 215218044 /nfs/dbraw/zinc/21/80/44/215218044.db2.gz CIFCTFZKTIGRDK-UHFFFAOYSA-N 2 2 336.867 1.977 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccnc(Cl)c1)CCC[N@H+]2C ZINC000067805532 215218048 /nfs/dbraw/zinc/21/80/48/215218048.db2.gz CIFCTFZKTIGRDK-UHFFFAOYSA-N 2 2 336.867 1.977 50 0 EDAALP CCCn1cc(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000067919811 215250579 /nfs/dbraw/zinc/25/05/79/215250579.db2.gz SUUJAAXSAKXBBW-UHFFFAOYSA-N 2 2 347.507 1.844 50 0 EDAALP CCCn1cc(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000067919811 215250580 /nfs/dbraw/zinc/25/05/80/215250580.db2.gz SUUJAAXSAKXBBW-UHFFFAOYSA-N 2 2 347.507 1.844 50 0 EDAALP OC[C@@H]1CCCN1c1cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC000072276017 216102534 /nfs/dbraw/zinc/10/25/34/216102534.db2.gz QPGSQMSFLDUKOP-INIZCTEOSA-N 2 2 340.431 1.159 50 0 EDAALP OC[C@@H]1CCCN1c1cc(N2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000072276017 216102536 /nfs/dbraw/zinc/10/25/36/216102536.db2.gz QPGSQMSFLDUKOP-INIZCTEOSA-N 2 2 340.431 1.159 50 0 EDAALP C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023654365 212389338 /nfs/dbraw/zinc/38/93/38/212389338.db2.gz ZPLBGSNLTGOVMY-QAPCUYQASA-N 2 2 330.432 1.216 50 0 EDAALP C[N@@H+](Cc1ccc(OCCn2cc[nH+]c2)cc1)C[C@H]1COCCO1 ZINC000216292833 241180318 /nfs/dbraw/zinc/18/03/18/241180318.db2.gz QNCYBBRDPGUUJI-SFHVURJKSA-N 2 2 331.416 1.809 50 0 EDAALP C[N@H+](Cc1ccc(OCCn2cc[nH+]c2)cc1)C[C@H]1COCCO1 ZINC000216292833 241180321 /nfs/dbraw/zinc/18/03/21/241180321.db2.gz QNCYBBRDPGUUJI-SFHVURJKSA-N 2 2 331.416 1.809 50 0 EDAALP CC(C)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000242389279 243018995 /nfs/dbraw/zinc/01/89/95/243018995.db2.gz ZVVCDYZJFDMFOO-OAHLLOKOSA-N 2 2 332.448 1.660 50 0 EDAALP CC(C)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000242389279 243019001 /nfs/dbraw/zinc/01/90/01/243019001.db2.gz ZVVCDYZJFDMFOO-OAHLLOKOSA-N 2 2 332.448 1.660 50 0 EDAALP CCNc1cc[nH+]c(N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000091468749 218011144 /nfs/dbraw/zinc/01/11/44/218011144.db2.gz JRYRVFLVAQFBMH-QKPAOTATSA-N 2 2 349.479 1.062 50 0 EDAALP CCNc1cc[nH+]c(N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000091468749 218011147 /nfs/dbraw/zinc/01/11/47/218011147.db2.gz JRYRVFLVAQFBMH-QKPAOTATSA-N 2 2 349.479 1.062 50 0 EDAALP O=C(c1ccc2[nH+]ccn2c1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000092096944 218118749 /nfs/dbraw/zinc/11/87/49/218118749.db2.gz AFNPENOXZGDDLT-KRWDZBQOSA-N 2 2 339.443 1.186 50 0 EDAALP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045426521 440983890 /nfs/dbraw/zinc/98/38/90/440983890.db2.gz UOOQOPJNYNBRJQ-HZPDHXFCSA-N 2 2 327.432 1.803 50 0 EDAALP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045426521 440983896 /nfs/dbraw/zinc/98/38/96/440983896.db2.gz UOOQOPJNYNBRJQ-HZPDHXFCSA-N 2 2 327.432 1.803 50 0 EDAALP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000071875839 441178906 /nfs/dbraw/zinc/17/89/06/441178906.db2.gz MYZOZYSLZRDLOX-FUHWJXTLSA-N 2 2 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EDAALP Cc1cc(NC(=O)CC[N@H+]2CCN(Cc3[nH+]ccn3C)[C@H](C)C2)no1 ZINC000069510985 441958840 /nfs/dbraw/zinc/95/88/40/441958840.db2.gz YEJGPGHJNXTTLF-CYBMUJFWSA-N 2 2 346.435 1.251 50 0 EDAALP C[C@@H]1CC[C@@H](CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000095962527 441961831 /nfs/dbraw/zinc/96/18/31/441961831.db2.gz CAUNMEWVEDNHKZ-NXHRZFHOSA-N 2 2 337.508 1.961 50 0 EDAALP C[C@@H]1CC[C@@H](CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000095962527 441961837 /nfs/dbraw/zinc/96/18/37/441961837.db2.gz CAUNMEWVEDNHKZ-NXHRZFHOSA-N 2 2 337.508 1.961 50 0 EDAALP CCn1cc[nH+]c1CN1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000069624688 441994794 /nfs/dbraw/zinc/99/47/94/441994794.db2.gz CKYFGSSPAGOYCX-IBGZPJMESA-N 2 2 328.460 1.928 50 0 EDAALP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000096444681 442133173 /nfs/dbraw/zinc/13/31/73/442133173.db2.gz OYMBQNFHBIWUBQ-GOSISDBHSA-N 2 2 349.450 1.581 50 0 EDAALP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000096444681 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342.451 1.016 50 0 EDAALP CN(C)c1nc(N)nc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000083206645 486154642 /nfs/dbraw/zinc/15/46/42/486154642.db2.gz YKEJQVNMZSCDMZ-UHFFFAOYSA-N 2 2 342.451 1.016 50 0 EDAALP Cc1cc(C)cc(OCCCN(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC000055393423 214317142 /nfs/dbraw/zinc/31/71/42/214317142.db2.gz URCJNTSXBIXKDQ-KRWDZBQOSA-N 2 2 330.432 1.824 50 0 EDAALP C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CC2)C1 ZINC000072148878 216036411 /nfs/dbraw/zinc/03/64/11/216036411.db2.gz KKWQUUWECUSHGY-IBGZPJMESA-N 2 2 342.443 1.439 50 0 EDAALP Cc1ncc2c(c1CNC(=O)C[NH+]1Cc3ccccc3C1)CC[NH2+]C2 ZINC000072408540 216200308 /nfs/dbraw/zinc/20/03/08/216200308.db2.gz RXRKWUGWLISSLT-UHFFFAOYSA-N 2 2 336.439 1.668 50 0 EDAALP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000237907073 139063461 /nfs/dbraw/zinc/06/34/61/139063461.db2.gz PIOQFOGRNNQQBD-CVEARBPZSA-N 2 2 341.459 1.496 50 0 EDAALP CCn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000011695747 211238132 /nfs/dbraw/zinc/23/81/32/211238132.db2.gz TZSFAWHATFLLQD-UHFFFAOYSA-N 2 2 345.422 1.481 50 0 EDAALP Cc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)n1 ZINC000093562704 218232780 /nfs/dbraw/zinc/23/27/80/218232780.db2.gz TVJLOSGPBVHUEO-UHFFFAOYSA-N 2 2 328.420 1.274 50 0 EDAALP COc1ccc2[nH]c(CCn3cc([C@H]4CCC[NH2+]C4)nn3)[nH+]c2c1 ZINC000095379240 218311571 /nfs/dbraw/zinc/31/15/71/218311571.db2.gz WELIPPCAAIAXTM-LBPRGKRZSA-N 2 2 326.404 1.873 50 0 EDAALP Cc1ccccc1[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000095380229 218312793 /nfs/dbraw/zinc/31/27/93/218312793.db2.gz WOMNZHBFBKHGEM-KRWDZBQOSA-N 2 2 333.476 1.825 50 0 EDAALP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072477868 258064620 /nfs/dbraw/zinc/06/46/20/258064620.db2.gz YIWYKIPODWCKIY-IBGZPJMESA-N 2 2 349.475 1.042 50 0 EDAALP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072477868 258064622 /nfs/dbraw/zinc/06/46/22/258064622.db2.gz YIWYKIPODWCKIY-IBGZPJMESA-N 2 2 349.475 1.042 50 0 EDAALP COc1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)nn1C ZINC000058297535 441175306 /nfs/dbraw/zinc/17/53/06/441175306.db2.gz IGUBNTJKDQSWCW-UHFFFAOYSA-N 2 2 344.459 1.859 50 0 EDAALP Cc1cn2cc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc2[nH+]1 ZINC000082139065 441337047 /nfs/dbraw/zinc/33/70/47/441337047.db2.gz XXTGLCOKXFWAAT-MRXNPFEDSA-N 2 2 330.432 1.826 50 0 EDAALP O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1cn2ccccc2[nH+]1 ZINC000426420113 447440427 /nfs/dbraw/zinc/44/04/27/447440427.db2.gz ZQOVQUCQJGWMTG-CQSZACIVSA-N 2 2 338.415 1.314 50 0 EDAALP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065473332 441441514 /nfs/dbraw/zinc/44/15/14/441441514.db2.gz XTOZTDQDNSNXSA-OAHLLOKOSA-N 2 2 342.447 1.804 50 0 EDAALP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000065473332 441441518 /nfs/dbraw/zinc/44/15/18/441441518.db2.gz XTOZTDQDNSNXSA-OAHLLOKOSA-N 2 2 342.447 1.804 50 0 EDAALP COCCNC(=O)C[NH+]1CCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000089689027 441570240 /nfs/dbraw/zinc/57/02/40/441570240.db2.gz ZLOPDJKZGLZINY-UHFFFAOYSA-N 2 2 342.443 1.428 50 0 EDAALP Cn1c(C[N@H+](C)CCO)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000077355481 441762651 /nfs/dbraw/zinc/76/26/51/441762651.db2.gz UPTGARJCKCDMTE-UHFFFAOYSA-N 2 2 330.436 1.018 50 0 EDAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000077355481 441762656 /nfs/dbraw/zinc/76/26/56/441762656.db2.gz UPTGARJCKCDMTE-UHFFFAOYSA-N 2 2 330.436 1.018 50 0 EDAALP CC(C)c1cc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)nc(N)[nH+]1 ZINC000095376422 441915496 /nfs/dbraw/zinc/91/54/96/441915496.db2.gz FEWWIQGSPAHLKV-HNNXBMFYSA-N 2 2 332.496 1.646 50 0 EDAALP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000095987416 441972143 /nfs/dbraw/zinc/97/21/43/441972143.db2.gz UTNYWYXZWJMHLL-IZBJGVDFSA-N 2 2 347.503 1.445 50 0 EDAALP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000095987416 441972151 /nfs/dbraw/zinc/97/21/51/441972151.db2.gz UTNYWYXZWJMHLL-IZBJGVDFSA-N 2 2 347.503 1.445 50 0 EDAALP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000078933070 441995568 /nfs/dbraw/zinc/99/55/68/441995568.db2.gz UUGGNQHONDGVDM-MRXNPFEDSA-N 2 2 338.496 1.415 50 0 EDAALP Cc1nc(N2CCC([NH+]3CCOCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426439089 447445286 /nfs/dbraw/zinc/44/52/86/447445286.db2.gz WUIIMNYQADAHNX-OAHLLOKOSA-N 2 2 332.448 1.590 50 0 EDAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000096426628 442126326 /nfs/dbraw/zinc/12/63/26/442126326.db2.gz NZXBSUMJLYSQEU-INIZCTEOSA-N 2 2 340.427 1.667 50 0 EDAALP COC(=O)c1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000097140816 442173466 /nfs/dbraw/zinc/17/34/66/442173466.db2.gz JLIVFAWRCYBPLG-XYPWUTKMSA-N 2 2 344.459 1.615 50 0 EDAALP COC(=O)c1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000097140816 442173467 /nfs/dbraw/zinc/17/34/67/442173467.db2.gz JLIVFAWRCYBPLG-XYPWUTKMSA-N 2 2 344.459 1.615 50 0 EDAALP C[C@@H]1C[NH+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H](C)O1 ZINC000097159025 442176566 /nfs/dbraw/zinc/17/65/66/442176566.db2.gz IPKWBFMMJHGVKF-CHWSQXEVSA-N 2 2 330.436 1.441 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CSC[NH2+]2)C[C@@H](C)O1 ZINC000165544450 442209903 /nfs/dbraw/zinc/20/99/03/442209903.db2.gz SXOGEVWATXTVNL-CPUCHLNUSA-N 2 2 349.500 1.575 50 0 EDAALP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187963451 442700624 /nfs/dbraw/zinc/70/06/24/442700624.db2.gz AMBIZOYPSMTPPR-DLBZAZTESA-N 2 2 346.475 1.523 50 0 EDAALP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000188959752 442849746 /nfs/dbraw/zinc/84/97/46/442849746.db2.gz LFTUKZPWIHAQHE-UHFFFAOYSA-N 2 2 341.459 1.568 50 0 EDAALP Nc1nc(N2CCN(c3ccc(F)cc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219840002 443061135 /nfs/dbraw/zinc/06/11/35/443061135.db2.gz ITMBMQFSBCCQII-UHFFFAOYSA-N 2 2 342.422 1.729 50 0 EDAALP C[C@@H]1C[N@H+](C2(C(=O)NCC[NH+](C)C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000072162230 216050370 /nfs/dbraw/zinc/05/03/70/216050370.db2.gz ZKFIDCFOSBIPPP-IYBDPMFKSA-N 2 2 345.487 1.311 50 0 EDAALP C[C@@H]1C[N@@H+](C2(C(=O)NCC[NH+](C)C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000072162230 216050373 /nfs/dbraw/zinc/05/03/73/216050373.db2.gz ZKFIDCFOSBIPPP-IYBDPMFKSA-N 2 2 345.487 1.311 50 0 EDAALP CCc1[nH+]c(C)ccc1OCC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082120204 217470011 /nfs/dbraw/zinc/47/00/11/217470011.db2.gz IEIJPGRKGUTNJK-UHFFFAOYSA-N 2 2 343.431 1.337 50 0 EDAALP O=c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)[nH]c2ccc(F)cc12 ZINC000091518660 218016832 /nfs/dbraw/zinc/01/68/32/218016832.db2.gz VGIUECRZVLLPOD-OAHLLOKOSA-N 2 2 330.407 1.147 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000095360965 218294216 /nfs/dbraw/zinc/29/42/16/218294216.db2.gz MHOMEEJHPYWMBS-UHFFFAOYSA-N 3 2 329.452 1.591 50 0 EDAALP O=C(N[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000299780862 258089513 /nfs/dbraw/zinc/08/95/13/258089513.db2.gz DQFJZEMHIIZNAW-KRWDZBQOSA-N 2 2 339.443 1.839 50 0 EDAALP O=C(N[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000299780862 258089515 /nfs/dbraw/zinc/08/95/15/258089515.db2.gz DQFJZEMHIIZNAW-KRWDZBQOSA-N 2 2 339.443 1.839 50 0 EDAALP C[N@H+](CC(=O)Nc1ccccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000002643585 440870603 /nfs/dbraw/zinc/87/06/03/440870603.db2.gz QFRXJFWZZRUGHU-UHFFFAOYSA-N 2 2 346.475 1.488 50 0 EDAALP C[N@@H+](CC(=O)Nc1ccccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000002643585 440870608 /nfs/dbraw/zinc/87/06/08/440870608.db2.gz QFRXJFWZZRUGHU-UHFFFAOYSA-N 2 2 346.475 1.488 50 0 EDAALP CN(C)c1[nH+]cccc1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044969348 440931247 /nfs/dbraw/zinc/93/12/47/440931247.db2.gz COZLNUTWIIEUMT-UHFFFAOYSA-N 2 2 340.431 1.574 50 0 EDAALP CC1CCN(C(=O)C[N@H+](C)C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000072664285 441247471 /nfs/dbraw/zinc/24/74/71/441247471.db2.gz PMTQHYFNKKMGAV-QGZVFWFLSA-N 2 2 337.508 1.678 50 0 EDAALP CC1CCN(C(=O)C[N@@H+](C)C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000072664285 441247474 /nfs/dbraw/zinc/24/74/74/441247474.db2.gz PMTQHYFNKKMGAV-QGZVFWFLSA-N 2 2 337.508 1.678 50 0 EDAALP COc1cccc([C@H](CNC(=O)N[C@H](C)Cn2cc[nH+]c2)[NH+](C)C)c1 ZINC000065458038 441437868 /nfs/dbraw/zinc/43/78/68/441437868.db2.gz VYHZTZKHCGHQGB-PBHICJAKSA-N 2 2 345.447 1.882 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000065575122 441462006 /nfs/dbraw/zinc/46/20/06/441462006.db2.gz YKLOXOHUTZJLPU-INIZCTEOSA-N 2 2 349.479 1.606 50 0 EDAALP COc1ccc([C@@H](CNC(=O)N[C@H](C)Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000089904427 441593746 /nfs/dbraw/zinc/59/37/46/441593746.db2.gz PARARYBIACJMDT-RHSMWYFYSA-N 2 2 345.447 1.882 50 0 EDAALP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000069413723 441928449 /nfs/dbraw/zinc/92/84/49/441928449.db2.gz AWFGVKAOWCRJRG-HNNXBMFYSA-N 2 2 347.488 1.267 50 0 EDAALP C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069702749 442014551 /nfs/dbraw/zinc/01/45/51/442014551.db2.gz MIOVRHRMXMBWNI-IRXDYDNUSA-N 2 2 344.459 1.366 50 0 EDAALP C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069702749 442014556 /nfs/dbraw/zinc/01/45/56/442014556.db2.gz MIOVRHRMXMBWNI-IRXDYDNUSA-N 2 2 344.459 1.366 50 0 EDAALP O=C(CC[NH2+]Cc1cccc(O)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000069874518 442063648 /nfs/dbraw/zinc/06/36/48/442063648.db2.gz WRWONUBJJORUKV-UHFFFAOYSA-N 2 2 340.427 1.616 50 0 EDAALP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096628 442167515 /nfs/dbraw/zinc/16/75/15/442167515.db2.gz BGEIZCRAYBUZFH-FUHWJXTLSA-N 2 2 345.491 1.782 50 0 EDAALP Cc1nc(NCCCOC2CC[NH+](C)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252522847 443041199 /nfs/dbraw/zinc/04/11/99/443041199.db2.gz BHJHENXQNSKRLN-GASCZTMLSA-N 2 2 334.464 1.936 50 0 EDAALP C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000223452856 443090348 /nfs/dbraw/zinc/09/03/48/443090348.db2.gz WVDLYOPDMIFJEI-IYWMVGAKSA-N 2 2 329.488 1.958 50 0 EDAALP [NH3+][C@@H]1CC[C@H](C(=O)N(CCCn2cc[nH+]c2)Cc2cccnc2)C1 ZINC000534577694 448454392 /nfs/dbraw/zinc/45/43/92/448454392.db2.gz DPZXMDPVYOYKJZ-DLBZAZTESA-N 2 2 327.432 1.824 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)CCc1cccnc1)CCC[N@@H+]2C ZINC000067674846 215180115 /nfs/dbraw/zinc/18/01/15/215180115.db2.gz XEEDXKXBZMPBJG-UHFFFAOYSA-N 2 2 330.476 1.643 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)CCc1cccnc1)CCC[N@H+]2C ZINC000067674846 215180120 /nfs/dbraw/zinc/18/01/20/215180120.db2.gz XEEDXKXBZMPBJG-UHFFFAOYSA-N 2 2 330.476 1.643 50 0 EDAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000067947002 215256426 /nfs/dbraw/zinc/25/64/26/215256426.db2.gz CVADAOTYQQXAFF-KRWDZBQOSA-N 2 2 340.427 1.323 50 0 EDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(F)cc1 ZINC000040554999 213349214 /nfs/dbraw/zinc/34/92/14/213349214.db2.gz JYPSGJVAPUERLA-UHFFFAOYSA-N 2 2 336.455 1.993 50 0 EDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(F)cc1 ZINC000040554999 213349218 /nfs/dbraw/zinc/34/92/18/213349218.db2.gz JYPSGJVAPUERLA-UHFFFAOYSA-N 2 2 336.455 1.993 50 0 EDAALP O[C@@H](c1ccccn1)C1CC[NH+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072133607 216022373 /nfs/dbraw/zinc/02/23/73/216022373.db2.gz LWSXKSSSOILBCK-GOSISDBHSA-N 2 2 327.432 1.327 50 0 EDAALP CC[NH+](CC)[C@H](CNc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1ccco1 ZINC000072421654 216210243 /nfs/dbraw/zinc/21/02/43/216210243.db2.gz CTWNHLFATABZQR-OAHLLOKOSA-N 3 2 344.463 1.835 50 0 EDAALP CSc1ccc(C[NH+]2CCN(C[C@@]3(O)CCC[NH2+]C3)CC2)cc1 ZINC000072424931 216214748 /nfs/dbraw/zinc/21/47/48/216214748.db2.gz QMCWCRNPWRSTHE-GOSISDBHSA-N 2 2 335.517 1.641 50 0 EDAALP CSc1ccc(CN2CC[NH+](C[C@@]3(O)CCC[NH2+]C3)CC2)cc1 ZINC000072424931 216214751 /nfs/dbraw/zinc/21/47/51/216214751.db2.gz QMCWCRNPWRSTHE-GOSISDBHSA-N 2 2 335.517 1.641 50 0 EDAALP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1)CC[NH+](C)CC2 ZINC000072469676 216248544 /nfs/dbraw/zinc/24/85/44/216248544.db2.gz RBMRQPKGWLPCPZ-HNNXBMFYSA-N 3 2 333.480 1.564 50 0 EDAALP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1)CC[NH+](C)CC2 ZINC000072469676 216248548 /nfs/dbraw/zinc/24/85/48/216248548.db2.gz RBMRQPKGWLPCPZ-HNNXBMFYSA-N 3 2 333.480 1.564 50 0 EDAALP O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000230251057 242255587 /nfs/dbraw/zinc/25/55/87/242255587.db2.gz LHDHFVFDOFTWTM-SJORKVTESA-N 2 2 344.459 1.374 50 0 EDAALP O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000230251057 242255591 /nfs/dbraw/zinc/25/55/91/242255591.db2.gz LHDHFVFDOFTWTM-SJORKVTESA-N 2 2 344.459 1.374 50 0 EDAALP Nc1nc(NCCC(=O)Nc2ccccc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244715822 243064153 /nfs/dbraw/zinc/06/41/53/243064153.db2.gz LDBXTHRPHDRAMH-TXEJJXNPSA-N 2 2 326.404 1.704 50 0 EDAALP [NH3+][C@H]1C[C@@H](c2nnc(C[NH+]3CCC(n4cnnc4)CC3)n2C2CC2)C1 ZINC000243932286 243032742 /nfs/dbraw/zinc/03/27/42/243032742.db2.gz BUHCSRRNOHYWJB-BETUJISGSA-N 2 2 342.451 1.246 50 0 EDAALP CCn1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091444661 218006735 /nfs/dbraw/zinc/00/67/35/218006735.db2.gz XFHBUUJBMDYPQI-GOSISDBHSA-N 2 2 336.480 1.198 50 0 EDAALP CCn1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000091444661 218006737 /nfs/dbraw/zinc/00/67/37/218006737.db2.gz XFHBUUJBMDYPQI-GOSISDBHSA-N 2 2 336.480 1.198 50 0 EDAALP CN(C)c1nc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)cc[nH+]1 ZINC000093562746 218232387 /nfs/dbraw/zinc/23/23/87/218232387.db2.gz BDXVFZCJUPISKL-UHFFFAOYSA-N 2 2 337.431 1.741 50 0 EDAALP CCCCSc1nc(N)cc(N2CC[C@](O)(C[NH+](C)C)C2)[nH+]1 ZINC000095353971 218287720 /nfs/dbraw/zinc/28/77/20/218287720.db2.gz SQJVBCNZKKDNPA-HNNXBMFYSA-N 2 2 325.482 1.454 50 0 EDAALP O=C(NCC1(C[NH+]2CCOCC2)CC1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000299797833 258101661 /nfs/dbraw/zinc/10/16/61/258101661.db2.gz CPQXBPWTLYBYTB-UHFFFAOYSA-N 2 2 340.427 1.919 50 0 EDAALP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072477867 258064849 /nfs/dbraw/zinc/06/48/49/258064849.db2.gz YIWYKIPODWCKIY-LJQANCHMSA-N 2 2 349.475 1.042 50 0 EDAALP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072477867 258064851 /nfs/dbraw/zinc/06/48/51/258064851.db2.gz YIWYKIPODWCKIY-LJQANCHMSA-N 2 2 349.475 1.042 50 0 EDAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccccc3)CC2)[nH+]cn1 ZINC000035598078 132389960 /nfs/dbraw/zinc/38/99/60/132389960.db2.gz RBTXMHUPCMQTLA-UHFFFAOYSA-N 2 2 348.410 1.933 50 0 EDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045086083 440949524 /nfs/dbraw/zinc/94/95/24/440949524.db2.gz HNGQAALGVVJBIJ-UHFFFAOYSA-N 2 2 325.416 1.968 50 0 EDAALP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@@H]1Cn1cncn1 ZINC000071877014 441180065 /nfs/dbraw/zinc/18/00/65/441180065.db2.gz PDBKCNDPMGAUCO-MOPGFXCFSA-N 2 2 343.475 1.626 50 0 EDAALP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@@H]1Cn1cncn1 ZINC000071877014 441180070 /nfs/dbraw/zinc/18/00/70/441180070.db2.gz PDBKCNDPMGAUCO-MOPGFXCFSA-N 2 2 343.475 1.626 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071877014 441180073 /nfs/dbraw/zinc/18/00/73/441180073.db2.gz PDBKCNDPMGAUCO-MOPGFXCFSA-N 2 2 343.475 1.626 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071877014 441180076 /nfs/dbraw/zinc/18/00/76/441180076.db2.gz PDBKCNDPMGAUCO-MOPGFXCFSA-N 2 2 343.475 1.626 50 0 EDAALP CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000058356915 441185060 /nfs/dbraw/zinc/18/50/60/441185060.db2.gz IHDKDUAWRRIMLO-UHFFFAOYSA-N 2 2 338.496 1.807 50 0 EDAALP CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000058356915 441185061 /nfs/dbraw/zinc/18/50/61/441185061.db2.gz IHDKDUAWRRIMLO-UHFFFAOYSA-N 2 2 338.496 1.807 50 0 EDAALP O=C1C[C@]2(CC[N@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)Oc2ccccc21 ZINC000072134689 441204679 /nfs/dbraw/zinc/20/46/79/441204679.db2.gz PVFRDOCNEAMMLI-IBGZPJMESA-N 2 2 338.411 1.596 50 0 EDAALP O=C1C[C@]2(CC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)Oc2ccccc21 ZINC000072134689 441204684 /nfs/dbraw/zinc/20/46/84/441204684.db2.gz PVFRDOCNEAMMLI-IBGZPJMESA-N 2 2 338.411 1.596 50 0 EDAALP Cc1ccc(N2CCN(C(=O)C[N@H+](C)C3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC000082106894 441333123 /nfs/dbraw/zinc/33/31/23/441333123.db2.gz MTFPXNVNPIBLLU-QGZVFWFLSA-N 2 2 344.503 1.716 50 0 EDAALP Cc1ccc(N2CCN(C(=O)C[N@@H+](C)C3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC000082106894 441333127 /nfs/dbraw/zinc/33/31/27/441333127.db2.gz MTFPXNVNPIBLLU-QGZVFWFLSA-N 2 2 344.503 1.716 50 0 EDAALP Cc1cccc(N2CC[NH+](CC(=O)NC[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000067833863 441684873 /nfs/dbraw/zinc/68/48/73/441684873.db2.gz LBAIRUBQSHQYSB-SFHVURJKSA-N 2 2 344.503 1.575 50 0 EDAALP Cc1cccc(N2CC[NH+](CC(=O)NC[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000067833863 441684876 /nfs/dbraw/zinc/68/48/76/441684876.db2.gz LBAIRUBQSHQYSB-SFHVURJKSA-N 2 2 344.503 1.575 50 0 EDAALP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121580181 441736125 /nfs/dbraw/zinc/73/61/25/441736125.db2.gz NQAVKQAAPBEIDN-OTWHNJEPSA-N 2 2 349.519 1.330 50 0 EDAALP C(C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1)N1CCOCC1 ZINC000121580181 441736131 /nfs/dbraw/zinc/73/61/31/441736131.db2.gz NQAVKQAAPBEIDN-OTWHNJEPSA-N 2 2 349.519 1.330 50 0 EDAALP Cc1cc2n(n1)C[C@@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)CN2 ZINC000069453182 441939642 /nfs/dbraw/zinc/93/96/42/441939642.db2.gz HSZOHKDANOKTQJ-HNNXBMFYSA-N 2 2 326.448 1.887 50 0 EDAALP O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CC[NH+](CCO)CC1 ZINC000095525352 441949162 /nfs/dbraw/zinc/94/91/62/441949162.db2.gz LMTLQJFDSNUHDH-UHFFFAOYSA-N 2 2 346.475 1.814 50 0 EDAALP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 ZINC000095967686 441963156 /nfs/dbraw/zinc/96/31/56/441963156.db2.gz NNBOPTVURRHATI-YOEHRIQHSA-N 2 2 339.505 1.697 50 0 EDAALP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 ZINC000095967686 441963160 /nfs/dbraw/zinc/96/31/60/441963160.db2.gz NNBOPTVURRHATI-YOEHRIQHSA-N 2 2 339.505 1.697 50 0 EDAALP Cc1cnn(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000069901752 442071347 /nfs/dbraw/zinc/07/13/47/442071347.db2.gz XUNCQRKFOVJLFC-INIZCTEOSA-N 2 2 327.432 1.809 50 0 EDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096420662 442122010 /nfs/dbraw/zinc/12/20/10/442122010.db2.gz QSRHEVOXAZYCGC-WBVHZDCISA-N 2 2 328.416 1.289 50 0 EDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096420662 442122013 /nfs/dbraw/zinc/12/20/13/442122013.db2.gz QSRHEVOXAZYCGC-WBVHZDCISA-N 2 2 328.416 1.289 50 0 EDAALP O=S(=O)(N[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC000096493103 442143699 /nfs/dbraw/zinc/14/36/99/442143699.db2.gz XOZJRQOTHZSCKL-INIZCTEOSA-N 2 2 348.472 1.716 50 0 EDAALP O=S(=O)(N[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC000096493103 442143701 /nfs/dbraw/zinc/14/37/01/442143701.db2.gz XOZJRQOTHZSCKL-INIZCTEOSA-N 2 2 348.472 1.716 50 0 EDAALP C[C@@H](c1ccncc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097113681 442171103 /nfs/dbraw/zinc/17/11/03/442171103.db2.gz HJOVMZMPBODSNK-HNNXBMFYSA-N 2 2 326.448 1.816 50 0 EDAALP C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097113681 442171106 /nfs/dbraw/zinc/17/11/06/442171106.db2.gz HJOVMZMPBODSNK-HNNXBMFYSA-N 2 2 326.448 1.816 50 0 EDAALP Nc1nc(N2CCN(c3ccccc3F)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222636642 443080631 /nfs/dbraw/zinc/08/06/31/443080631.db2.gz SGLKWDXLXGJLGD-UHFFFAOYSA-N 2 2 342.422 1.729 50 0 EDAALP C[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721156 536455271 /nfs/dbraw/zinc/45/52/71/536455271.db2.gz WCGVJUVBPOECAZ-HZPDHXFCSA-N 2 2 349.385 1.906 50 0 EDAALP C[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721156 536455274 /nfs/dbraw/zinc/45/52/74/536455274.db2.gz WCGVJUVBPOECAZ-HZPDHXFCSA-N 2 2 349.385 1.906 50 0 EDAALP O=C(C[NH+]1CCCCC1)OCCCOC(=O)C[NH+]1CCCCC1 ZINC000004151611 210133986 /nfs/dbraw/zinc/13/39/86/210133986.db2.gz XBNBPYFDNVIMOS-UHFFFAOYSA-N 2 2 326.437 1.435 50 0 EDAALP Nc1nc(N2CCC(Oc3cccnc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000218981570 241357508 /nfs/dbraw/zinc/35/75/08/241357508.db2.gz PVZSLQAPGNRKTL-UHFFFAOYSA-N 2 2 340.431 1.706 50 0 EDAALP c1nn(-c2ccccc2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020149645 212106335 /nfs/dbraw/zinc/10/63/35/212106335.db2.gz HQMLWERCNASPRE-UHFFFAOYSA-N 2 2 338.415 1.950 50 0 EDAALP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000071875840 296184670 /nfs/dbraw/zinc/18/46/70/296184670.db2.gz MYZOZYSLZRDLOX-SJLPKXTDSA-N 2 2 331.460 1.349 50 0 EDAALP Cc1cc(C)c2[nH]c(C[N@@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)cc(=O)c2c1 ZINC000091504994 218015246 /nfs/dbraw/zinc/01/52/46/218015246.db2.gz GXYLRBGDDPRDQA-YWZLYKJASA-N 2 2 341.455 1.691 50 0 EDAALP Cc1cc(C)c2[nH]c(C[N@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)cc(=O)c2c1 ZINC000091504994 218015248 /nfs/dbraw/zinc/01/52/48/218015248.db2.gz GXYLRBGDDPRDQA-YWZLYKJASA-N 2 2 341.455 1.691 50 0 EDAALP CCNc1cc[nH+]c(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)n1 ZINC000091950577 218093573 /nfs/dbraw/zinc/09/35/73/218093573.db2.gz BHQANHZESIBRMH-CVEARBPZSA-N 2 2 349.479 1.208 50 0 EDAALP CSCCC[N@@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000092064761 218113109 /nfs/dbraw/zinc/11/31/09/218113109.db2.gz JORUTWIGAJKPGE-AWEZNQCLSA-N 2 2 334.493 1.992 50 0 EDAALP CSCCC[N@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000092064761 218113111 /nfs/dbraw/zinc/11/31/11/218113111.db2.gz JORUTWIGAJKPGE-AWEZNQCLSA-N 2 2 334.493 1.992 50 0 EDAALP OCCC[C@@H]1C[N@H+](Cc2ccc(CO)o2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095373824 218306657 /nfs/dbraw/zinc/30/66/57/218306657.db2.gz WIUGRVAIKCNVDE-QAPCUYQASA-N 2 2 338.448 1.067 50 0 EDAALP OCCC[C@@H]1C[N@@H+](Cc2ccc(CO)o2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095373824 218306661 /nfs/dbraw/zinc/30/66/61/218306661.db2.gz WIUGRVAIKCNVDE-QAPCUYQASA-N 2 2 338.448 1.067 50 0 EDAALP Cc1nonc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095438365 218382347 /nfs/dbraw/zinc/38/23/47/218382347.db2.gz YPUVAFYNKBFEHC-HOTGVXAUSA-N 2 2 349.479 1.787 50 0 EDAALP Cc1nonc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095438365 218382349 /nfs/dbraw/zinc/38/23/49/218382349.db2.gz YPUVAFYNKBFEHC-HOTGVXAUSA-N 2 2 349.479 1.787 50 0 EDAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000097378829 219019718 /nfs/dbraw/zinc/01/97/18/219019718.db2.gz UVPVOKKYKKTDAE-NXHRZFHOSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000097378829 219019720 /nfs/dbraw/zinc/01/97/20/219019720.db2.gz UVPVOKKYKKTDAE-NXHRZFHOSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000097378829 219019722 /nfs/dbraw/zinc/01/97/22/219019722.db2.gz UVPVOKKYKKTDAE-NXHRZFHOSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000097378829 219019725 /nfs/dbraw/zinc/01/97/25/219019725.db2.gz UVPVOKKYKKTDAE-NXHRZFHOSA-N 2 2 346.475 1.137 50 0 EDAALP COc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc2c1OCCO2 ZINC000332594161 141210968 /nfs/dbraw/zinc/21/09/68/141210968.db2.gz LMMOUGGJQMPXCM-UHFFFAOYSA-N 2 2 336.432 1.403 50 0 EDAALP CN(C)c1cncc(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095498758 276794228 /nfs/dbraw/zinc/79/42/28/276794228.db2.gz PMSKCKOFUQQPCP-OAHLLOKOSA-N 2 2 343.479 1.685 50 0 EDAALP COc1ccccc1[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000061189919 278062091 /nfs/dbraw/zinc/06/20/91/278062091.db2.gz YMIVQUWDHXEIOS-ZBFHGGJFSA-N 2 2 345.447 1.882 50 0 EDAALP O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCCC1 ZINC000071551728 441147336 /nfs/dbraw/zinc/14/73/36/441147336.db2.gz LNBGFJXBLAMUKC-MRXNPFEDSA-N 2 2 345.491 1.709 50 0 EDAALP O=C([C@@H]1CCC[N@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1)N1CCCC1 ZINC000071551728 441147341 /nfs/dbraw/zinc/14/73/41/441147341.db2.gz LNBGFJXBLAMUKC-MRXNPFEDSA-N 2 2 345.491 1.709 50 0 EDAALP O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCCC1 ZINC000071551728 441147345 /nfs/dbraw/zinc/14/73/45/441147345.db2.gz LNBGFJXBLAMUKC-MRXNPFEDSA-N 2 2 345.491 1.709 50 0 EDAALP O=C([C@@H]1CCC[N@H+](C2CCN(Cc3c[nH]c[nH+]3)CC2)C1)N1CCCC1 ZINC000071551728 441147349 /nfs/dbraw/zinc/14/73/49/441147349.db2.gz LNBGFJXBLAMUKC-MRXNPFEDSA-N 2 2 345.491 1.709 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2nc(C)cc2C)CC1 ZINC000071876045 441179060 /nfs/dbraw/zinc/17/90/60/441179060.db2.gz MHWZGCCHRCMYBL-ZWKOTPCHSA-N 2 2 347.507 1.517 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2nc(C)cc2C)CC1 ZINC000071876045 441179063 /nfs/dbraw/zinc/17/90/63/441179063.db2.gz MHWZGCCHRCMYBL-ZWKOTPCHSA-N 2 2 347.507 1.517 50 0 EDAALP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000058413990 441192925 /nfs/dbraw/zinc/19/29/25/441192925.db2.gz HEIDFPMUSWTCTA-UHFFFAOYSA-N 2 2 325.420 1.665 50 0 EDAALP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000072279906 441218259 /nfs/dbraw/zinc/21/82/59/441218259.db2.gz YGWAWMVYZZITBF-MOPGFXCFSA-N 2 2 333.476 1.058 50 0 EDAALP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000072279906 441218264 /nfs/dbraw/zinc/21/82/64/441218264.db2.gz YGWAWMVYZZITBF-MOPGFXCFSA-N 2 2 333.476 1.058 50 0 EDAALP Cc1cccc(N2CC[NH+](CC(=O)NC[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000067833864 441684966 /nfs/dbraw/zinc/68/49/66/441684966.db2.gz LBAIRUBQSHQYSB-GOSISDBHSA-N 2 2 344.503 1.575 50 0 EDAALP Cc1cccc(N2CC[NH+](CC(=O)NC[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000067833864 441684970 /nfs/dbraw/zinc/68/49/70/441684970.db2.gz LBAIRUBQSHQYSB-GOSISDBHSA-N 2 2 344.503 1.575 50 0 EDAALP CCN1CCO[C@@H](C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000069703078 442016255 /nfs/dbraw/zinc/01/62/55/442016255.db2.gz GNMIRJBAYMLUCC-IRXDYDNUSA-N 2 2 346.475 1.324 50 0 EDAALP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000097378511 442192296 /nfs/dbraw/zinc/19/22/96/442192296.db2.gz QDVJUMYKONDTQH-IRXDYDNUSA-N 2 2 345.491 1.954 50 0 EDAALP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000097378511 442192300 /nfs/dbraw/zinc/19/23/00/442192300.db2.gz QDVJUMYKONDTQH-IRXDYDNUSA-N 2 2 345.491 1.954 50 0 EDAALP O=C(c1ccc2[nH+]ccn2c1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000221173411 443069285 /nfs/dbraw/zinc/06/92/85/443069285.db2.gz FRHXEXYLIIYITH-MRXNPFEDSA-N 2 2 328.416 1.661 50 0 EDAALP O=C(c1ccc2[nH+]ccn2c1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000221173463 443069362 /nfs/dbraw/zinc/06/93/62/443069362.db2.gz FRHXEXYLIIYITH-INIZCTEOSA-N 2 2 328.416 1.661 50 0 EDAALP Nc1nc(NCc2nncn2C2CCCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223144170 443085471 /nfs/dbraw/zinc/08/54/71/443085471.db2.gz AKULEGFSVKCXQC-UHFFFAOYSA-N 2 2 342.451 1.972 50 0 EDAALP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237564681 443176178 /nfs/dbraw/zinc/17/61/78/443176178.db2.gz PYRAMXXAKFTVEX-MAUKXSAKSA-N 2 2 331.460 1.861 50 0 EDAALP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)C2)CC1 ZINC000670434619 486510866 /nfs/dbraw/zinc/51/08/66/486510866.db2.gz CFJKZERFNNTGNQ-INIZCTEOSA-N 2 2 332.448 1.227 50 0 EDAALP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000670434619 486510871 /nfs/dbraw/zinc/51/08/71/486510871.db2.gz CFJKZERFNNTGNQ-INIZCTEOSA-N 2 2 332.448 1.227 50 0 EDAALP [NH3+]CC[C@@H]1C[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 ZINC000067804686 215217078 /nfs/dbraw/zinc/21/70/78/215217078.db2.gz CLELEDWLAMBSAQ-QGZVFWFLSA-N 2 2 337.427 1.946 50 0 EDAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 ZINC000067804686 215217080 /nfs/dbraw/zinc/21/70/80/215217080.db2.gz CLELEDWLAMBSAQ-QGZVFWFLSA-N 2 2 337.427 1.946 50 0 EDAALP CNc1cc(N2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000072421331 216208717 /nfs/dbraw/zinc/20/87/17/216208717.db2.gz FIXLTRFXWCRRCP-GFCCVEGCSA-N 2 2 348.476 1.235 50 0 EDAALP CNc1cc(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000072421331 216208720 /nfs/dbraw/zinc/20/87/20/216208720.db2.gz FIXLTRFXWCRRCP-GFCCVEGCSA-N 2 2 348.476 1.235 50 0 EDAALP COCCn1cc[nH+]c1C1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000091562724 218022856 /nfs/dbraw/zinc/02/28/56/218022856.db2.gz LYFFCUBJDCCAFM-UHFFFAOYSA-N 2 2 335.452 1.076 50 0 EDAALP Cc1[nH+]ccn1CC1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000299797845 258101950 /nfs/dbraw/zinc/10/19/50/258101950.db2.gz OYYZMVAHYHMSOW-HNNXBMFYSA-N 2 2 342.447 1.984 50 0 EDAALP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1COCC[NH2+]1 ZINC000165475743 226124995 /nfs/dbraw/zinc/12/49/95/226124995.db2.gz KRMHZIGDCWCODO-INIZCTEOSA-N 2 2 339.386 1.034 50 0 EDAALP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@]2(C)c2ccccc2)CC1 ZINC000408519015 290010846 /nfs/dbraw/zinc/01/08/46/290010846.db2.gz RZDLJDYMWQAFRA-IBGZPJMESA-N 2 2 331.460 1.398 50 0 EDAALP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@]2(C)c2ccccc2)CC1 ZINC000408519015 290010847 /nfs/dbraw/zinc/01/08/47/290010847.db2.gz RZDLJDYMWQAFRA-IBGZPJMESA-N 2 2 331.460 1.398 50 0 EDAALP COc1cccc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)c1OC ZINC000244605534 295299713 /nfs/dbraw/zinc/29/97/13/295299713.db2.gz FAHHCEMBMMXXRA-TXEJJXNPSA-N 2 2 329.404 1.893 50 0 EDAALP CN(C)c1cc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000044915991 440910213 /nfs/dbraw/zinc/91/02/13/440910213.db2.gz JBTJQQYREUXZQB-UHFFFAOYSA-N 2 2 340.431 1.574 50 0 EDAALP CC(C)[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058290280 441172801 /nfs/dbraw/zinc/17/28/01/441172801.db2.gz HILJEMNSEXOFBA-INMHGKMJSA-N 2 2 348.491 1.898 50 0 EDAALP Cc1cc2n(n1)C[C@H](C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)CN2 ZINC000058296088 441174144 /nfs/dbraw/zinc/17/41/44/441174144.db2.gz KCCYQMSYPCNNFF-QGZVFWFLSA-N 2 2 340.475 1.882 50 0 EDAALP COc1ccc(F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c1 ZINC000023361098 441294351 /nfs/dbraw/zinc/29/43/51/441294351.db2.gz QXKFYVBZOUSEKQ-QZTJIDSGSA-N 2 2 337.439 1.017 50 0 EDAALP COc1ccc(F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c1 ZINC000023361098 441294356 /nfs/dbraw/zinc/29/43/56/441294356.db2.gz QXKFYVBZOUSEKQ-QZTJIDSGSA-N 2 2 337.439 1.017 50 0 EDAALP Cc1[nH+]c2ccccc2n1CCC(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082121260 441335426 /nfs/dbraw/zinc/33/54/26/441335426.db2.gz ODWOBDSWMIAJBP-UHFFFAOYSA-N 2 2 338.415 1.351 50 0 EDAALP Cc1cccc(OCC[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000106908095 441387539 /nfs/dbraw/zinc/38/75/39/441387539.db2.gz TWXGDFMSHURFGY-UYAOXDASSA-N 2 2 347.503 1.711 50 0 EDAALP Cc1cccc(OCC[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000106908095 441387543 /nfs/dbraw/zinc/38/75/43/441387543.db2.gz TWXGDFMSHURFGY-UYAOXDASSA-N 2 2 347.503 1.711 50 0 EDAALP Cc1cccc(OCC[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000106908095 441387547 /nfs/dbraw/zinc/38/75/47/441387547.db2.gz TWXGDFMSHURFGY-UYAOXDASSA-N 2 2 347.503 1.711 50 0 EDAALP Cc1cccc(OCC[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000106908095 441387550 /nfs/dbraw/zinc/38/75/50/441387550.db2.gz TWXGDFMSHURFGY-UYAOXDASSA-N 2 2 347.503 1.711 50 0 EDAALP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000065476906 441442802 /nfs/dbraw/zinc/44/28/02/441442802.db2.gz VVPMKLZMQUFEDH-UHFFFAOYSA-N 2 2 349.523 1.918 50 0 EDAALP C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000065604433 441467118 /nfs/dbraw/zinc/46/71/18/441467118.db2.gz CMMGOCJDAYECQM-OAGGEKHMSA-N 2 2 346.475 1.796 50 0 EDAALP Cc1c[nH+]c(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)nc1N(C)C ZINC000095380014 441916330 /nfs/dbraw/zinc/91/63/30/441916330.db2.gz UWPVYGCTQHHTDB-HNNXBMFYSA-N 2 2 333.480 1.788 50 0 EDAALP CCn1cc[nH+]c1CN1CC[NH+](CCC(=O)NC2CCCCC2)CC1 ZINC000069443073 441938043 /nfs/dbraw/zinc/93/80/43/441938043.db2.gz UYJGQVJKWXUPRM-UHFFFAOYSA-N 2 2 347.507 1.860 50 0 EDAALP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000096404194 442114041 /nfs/dbraw/zinc/11/40/41/442114041.db2.gz SBQFUVOZGKAUCK-KRWDZBQOSA-N 2 2 343.475 1.930 50 0 EDAALP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000096404194 442114044 /nfs/dbraw/zinc/11/40/44/442114044.db2.gz SBQFUVOZGKAUCK-KRWDZBQOSA-N 2 2 343.475 1.930 50 0 EDAALP O=S(=O)(N[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC000096493102 442143773 /nfs/dbraw/zinc/14/37/73/442143773.db2.gz XOZJRQOTHZSCKL-MRXNPFEDSA-N 2 2 348.472 1.716 50 0 EDAALP O=S(=O)(N[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC000096493102 442143775 /nfs/dbraw/zinc/14/37/75/442143775.db2.gz XOZJRQOTHZSCKL-MRXNPFEDSA-N 2 2 348.472 1.716 50 0 EDAALP Cc1ccc(NCCCNc2[nH+]cnc3c2cnn3CCO)[nH+]c1 ZINC000097200224 442183087 /nfs/dbraw/zinc/18/30/87/442183087.db2.gz AFHPDFAZFAZGSA-UHFFFAOYSA-N 2 2 327.392 1.436 50 0 EDAALP Cc1ccc(F)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000178906802 442521268 /nfs/dbraw/zinc/52/12/68/442521268.db2.gz JFQHUGYWMPTMDN-INIZCTEOSA-N 2 2 335.423 1.157 50 0 EDAALP O=C1C[C@H]([NH2+]Cc2ccccc2Cl)CN1CC[NH+]1CCOCC1 ZINC000172698094 442522538 /nfs/dbraw/zinc/52/25/38/442522538.db2.gz DCKCLKNVWCGNDU-HNNXBMFYSA-N 2 2 337.851 1.363 50 0 EDAALP COc1ccc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1O ZINC000223232216 443086538 /nfs/dbraw/zinc/08/65/38/443086538.db2.gz RPVSZDSWYNVYSL-UHFFFAOYSA-N 2 2 329.404 1.614 50 0 EDAALP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000329703301 444686231 /nfs/dbraw/zinc/68/62/31/444686231.db2.gz IFWPXGRCPPPYIC-IAGOWNOFSA-N 2 2 346.475 1.325 50 0 EDAALP CC[C@H](CNC(=O)N(CCO)Cc1[nH+]ccn1C)[NH+]1CCCCC1 ZINC000534580376 448454725 /nfs/dbraw/zinc/45/47/25/448454725.db2.gz UDJPWNQNIXABNE-OAHLLOKOSA-N 2 2 337.468 1.189 50 0 EDAALP CN(Cc1c[nH]nc1-c1ccccc1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000534584150 448455527 /nfs/dbraw/zinc/45/55/27/448455527.db2.gz BPYONHISEMIUKQ-UHFFFAOYSA-N 2 2 341.459 1.719 50 0 EDAALP CN(Cc1c[nH]nc1-c1ccccc1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000534584150 448455534 /nfs/dbraw/zinc/45/55/34/448455534.db2.gz BPYONHISEMIUKQ-UHFFFAOYSA-N 2 2 341.459 1.719 50 0 EDAALP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657918451 452611344 /nfs/dbraw/zinc/61/13/44/452611344.db2.gz CTWBNULCNYPLTN-DFGXFYAUSA-N 2 2 335.492 1.334 50 0 EDAALP O=C(C[N@@H+]1CCc2ccccc2C1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082098588 486020355 /nfs/dbraw/zinc/02/03/55/486020355.db2.gz FVQJQUPKGWGWLL-UHFFFAOYSA-N 2 2 339.443 1.051 50 0 EDAALP O=C(C[N@H+]1CCc2ccccc2C1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082098588 486020362 /nfs/dbraw/zinc/02/03/62/486020362.db2.gz FVQJQUPKGWGWLL-UHFFFAOYSA-N 2 2 339.443 1.051 50 0 EDAALP Cc1cc(N2CCC(Cn3cc[nH+]c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000670463490 486556305 /nfs/dbraw/zinc/55/63/05/486556305.db2.gz PCDPKGQRHGQZFP-UHFFFAOYSA-N 2 2 342.447 1.735 50 0 EDAALP CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCC(c3[nH+]ccn3C)CC2)C1 ZINC000097766321 219056034 /nfs/dbraw/zinc/05/60/34/219056034.db2.gz ZNZTVMITXOCDSO-MRXNPFEDSA-N 2 2 334.464 1.625 50 0 EDAALP CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC(c3[nH+]ccn3C)CC2)C1 ZINC000097766321 219056036 /nfs/dbraw/zinc/05/60/36/219056036.db2.gz ZNZTVMITXOCDSO-MRXNPFEDSA-N 2 2 334.464 1.625 50 0 EDAALP C[NH+](C)[C@@H](Cc1ccccc1)c1nc(CN2CC[NH+](C)CC2)no1 ZINC000067772568 215209904 /nfs/dbraw/zinc/20/99/04/215209904.db2.gz DFUACKPSYJGQNO-INIZCTEOSA-N 2 2 329.448 1.662 50 0 EDAALP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067894257 215242490 /nfs/dbraw/zinc/24/24/90/215242490.db2.gz DMQKDCUPNCXGTE-MRXNPFEDSA-N 2 2 333.476 1.667 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072409386 216200720 /nfs/dbraw/zinc/20/07/20/216200720.db2.gz OYGFOBREOAOWNJ-OAHLLOKOSA-N 2 2 343.479 1.904 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072409386 216200723 /nfs/dbraw/zinc/20/07/23/216200723.db2.gz OYGFOBREOAOWNJ-OAHLLOKOSA-N 2 2 343.479 1.904 50 0 EDAALP NC(=O)[C@@H]1C[N@H+](Cc2ccccc2OCCCn2cc[nH+]c2)CCO1 ZINC000215233114 241114029 /nfs/dbraw/zinc/11/40/29/241114029.db2.gz XKUPOZAJAPEVNO-KRWDZBQOSA-N 2 2 344.415 1.038 50 0 EDAALP NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2OCCCn2cc[nH+]c2)CCO1 ZINC000215233114 241114034 /nfs/dbraw/zinc/11/40/34/241114034.db2.gz XKUPOZAJAPEVNO-KRWDZBQOSA-N 2 2 344.415 1.038 50 0 EDAALP CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230233908 242253669 /nfs/dbraw/zinc/25/36/69/242253669.db2.gz LOMJDWKTITZKMX-RCCFBDPRSA-N 2 2 336.501 1.921 50 0 EDAALP CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230233908 242253673 /nfs/dbraw/zinc/25/36/73/242253673.db2.gz LOMJDWKTITZKMX-RCCFBDPRSA-N 2 2 336.501 1.921 50 0 EDAALP CNC(=O)C[NH+]1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695791 211238540 /nfs/dbraw/zinc/23/85/40/211238540.db2.gz DUDBKFJWMAPOAG-UHFFFAOYSA-N 2 2 333.823 1.394 50 0 EDAALP C[N@@H+]1CCCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095372383 218305351 /nfs/dbraw/zinc/30/53/51/218305351.db2.gz LGSSPEJTBWESRO-LJQANCHMSA-N 2 2 345.487 1.698 50 0 EDAALP C[N@H+]1CCCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095372383 218305353 /nfs/dbraw/zinc/30/53/53/218305353.db2.gz LGSSPEJTBWESRO-LJQANCHMSA-N 2 2 345.487 1.698 50 0 EDAALP C[NH+]1CCC(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000095414317 218352511 /nfs/dbraw/zinc/35/25/11/218352511.db2.gz DLABCRNZUWLPOR-RTBURBONSA-N 2 2 343.471 1.440 50 0 EDAALP C[NH+]1CCC(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000095414317 218352514 /nfs/dbraw/zinc/35/25/14/218352514.db2.gz DLABCRNZUWLPOR-RTBURBONSA-N 2 2 343.471 1.440 50 0 EDAALP CN(C)c1cccc(NC(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC000299799594 258102927 /nfs/dbraw/zinc/10/29/27/258102927.db2.gz UBGXHBWAHGGPRU-UHFFFAOYSA-N 2 2 333.480 1.900 50 0 EDAALP Cc1cccn2cc(CNC(=O)C[C@@H]3C[N@H+](C(C)C)CCO3)[nH+]c12 ZINC000299763006 258078975 /nfs/dbraw/zinc/07/89/75/258078975.db2.gz FRZYSAFDDCAANS-MRXNPFEDSA-N 2 2 330.432 1.758 50 0 EDAALP Cc1cccn2cc(CNC(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)[nH+]c12 ZINC000299763006 258078976 /nfs/dbraw/zinc/07/89/76/258078976.db2.gz FRZYSAFDDCAANS-MRXNPFEDSA-N 2 2 330.432 1.758 50 0 EDAALP COc1ccc([C@@H]2CN(c3cc(OC)[nH+]c(N)n3)C[C@H]2[NH+](C)C)cc1 ZINC000095352831 277928321 /nfs/dbraw/zinc/92/83/21/277928321.db2.gz NGSAOUSMUKMUKM-LSDHHAIUSA-N 2 2 343.431 1.610 50 0 EDAALP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccccc1C[NH+](C)C ZINC000366558310 289047958 /nfs/dbraw/zinc/04/79/58/289047958.db2.gz KXOOIHAIOCCZDT-CRAIPNDOSA-N 2 2 331.460 1.683 50 0 EDAALP Nc1nc(N2CC[NH+](Cc3cccnc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426393084 447432624 /nfs/dbraw/zinc/43/26/24/447432624.db2.gz UURKSHLMVHDXFZ-HNNXBMFYSA-N 2 2 340.431 1.280 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000071876638 441179952 /nfs/dbraw/zinc/17/99/52/441179952.db2.gz ATWACOBIRPXFNZ-IAGOWNOFSA-N 2 2 347.507 1.726 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000071876638 441179957 /nfs/dbraw/zinc/17/99/57/441179957.db2.gz ATWACOBIRPXFNZ-IAGOWNOFSA-N 2 2 347.507 1.726 50 0 EDAALP c1cc2n(n1)C[C@H](C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)CN2 ZINC000058342428 441182543 /nfs/dbraw/zinc/18/25/43/441182543.db2.gz HEKYERVOTACHIK-MRXNPFEDSA-N 2 2 326.448 1.574 50 0 EDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000048357790 441298676 /nfs/dbraw/zinc/29/86/76/441298676.db2.gz GKUCWYPAJYGSLH-CQSZACIVSA-N 2 2 344.419 1.003 50 0 EDAALP Cc1nn(CC[NH+]2CCCCC2)cc1C[NH+]1CC(N2CCOCC2)C1 ZINC000065525844 441450951 /nfs/dbraw/zinc/45/09/51/441450951.db2.gz UGAWUMOEYZTDQF-UHFFFAOYSA-N 2 2 347.507 1.194 50 0 EDAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000077408173 441774753 /nfs/dbraw/zinc/77/47/53/441774753.db2.gz USYHNXFWSOEYSH-UHFFFAOYSA-N 2 2 329.452 1.234 50 0 EDAALP Cc1cc(N2CCC(c3nnc(C[N@H+](C)CCO)n3C)CC2)cc[nH+]1 ZINC000077505492 441794726 /nfs/dbraw/zinc/79/47/26/441794726.db2.gz SKPYECPEOBIDAZ-UHFFFAOYSA-N 2 2 344.463 1.327 50 0 EDAALP Cc1cc(N2CCC(c3nnc(C[N@@H+](C)CCO)n3C)CC2)cc[nH+]1 ZINC000077505492 441794728 /nfs/dbraw/zinc/79/47/28/441794728.db2.gz SKPYECPEOBIDAZ-UHFFFAOYSA-N 2 2 344.463 1.327 50 0 EDAALP O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000096136482 442042879 /nfs/dbraw/zinc/04/28/79/442042879.db2.gz ABRKRDBAVYTKAR-CRAIPNDOSA-N 2 2 332.448 1.534 50 0 EDAALP O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000096136482 442042884 /nfs/dbraw/zinc/04/28/84/442042884.db2.gz ABRKRDBAVYTKAR-CRAIPNDOSA-N 2 2 332.448 1.534 50 0 EDAALP O=C([O-])[C@@]12C[NH+](CCCn3cc[nH+]c3)C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096136482 442042888 /nfs/dbraw/zinc/04/28/88/442042888.db2.gz ABRKRDBAVYTKAR-CRAIPNDOSA-N 2 2 332.448 1.534 50 0 EDAALP O=C([O-])[C@@]12C[NH+](CCCn3cc[nH+]c3)C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096136482 442042895 /nfs/dbraw/zinc/04/28/95/442042895.db2.gz ABRKRDBAVYTKAR-CRAIPNDOSA-N 2 2 332.448 1.534 50 0 EDAALP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069929130 442078498 /nfs/dbraw/zinc/07/84/98/442078498.db2.gz MLZYIQDNYHZJNL-KRWDZBQOSA-N 2 2 349.479 1.335 50 0 EDAALP OCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000096402927 442112959 /nfs/dbraw/zinc/11/29/59/442112959.db2.gz PLYIODQRUSBUIY-UHFFFAOYSA-N 2 2 337.895 1.914 50 0 EDAALP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(C)[nH+]3)C[C@H]2C)C1 ZINC000252512491 443038859 /nfs/dbraw/zinc/03/88/59/443038859.db2.gz RIDYYELNKSLKBR-CVEARBPZSA-N 2 2 332.448 1.148 50 0 EDAALP CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(C)[nH+]3)C[C@H]2C)C1 ZINC000252512491 443038863 /nfs/dbraw/zinc/03/88/63/443038863.db2.gz RIDYYELNKSLKBR-CVEARBPZSA-N 2 2 332.448 1.148 50 0 EDAALP CC(C)c1nc(CCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)no1 ZINC000220066424 443063254 /nfs/dbraw/zinc/06/32/54/443063254.db2.gz ZBZLNVQNTUDJHM-UHFFFAOYSA-N 2 2 331.424 1.449 50 0 EDAALP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000299773884 444138704 /nfs/dbraw/zinc/13/87/04/444138704.db2.gz GNCVIORWTZNVBH-MRXNPFEDSA-N 2 2 331.460 1.768 50 0 EDAALP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000299773884 444138709 /nfs/dbraw/zinc/13/87/09/444138709.db2.gz GNCVIORWTZNVBH-MRXNPFEDSA-N 2 2 331.460 1.768 50 0 EDAALP CCn1cc(CC[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000348271504 445334647 /nfs/dbraw/zinc/33/46/47/445334647.db2.gz NTQBLMRKOKWQKC-UHFFFAOYSA-N 2 2 329.452 1.124 50 0 EDAALP Cc1[nH+]ccn1CCN(C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000426510580 447461399 /nfs/dbraw/zinc/46/13/99/447461399.db2.gz DFQHHWNQWGMVCO-UHFFFAOYSA-N 2 2 326.404 1.989 50 0 EDAALP CC(C)Cn1c[nH+]cc1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000534587875 448457066 /nfs/dbraw/zinc/45/70/66/448457066.db2.gz WOEZBTWRWFPTFC-UHFFFAOYSA-N 2 2 342.447 1.966 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000052429163 214128404 /nfs/dbraw/zinc/12/84/04/214128404.db2.gz QMEQOMIWMKDUTA-UHFFFAOYSA-N 2 2 338.415 1.808 50 0 EDAALP CCCC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1OC ZINC000055089621 214271408 /nfs/dbraw/zinc/27/14/08/214271408.db2.gz DLDNCUXYWUFVBB-ZDUSSCGKSA-N 2 2 345.403 1.665 50 0 EDAALP CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000067784048 215210589 /nfs/dbraw/zinc/21/05/89/215210589.db2.gz GCOIZHIDCJSICW-AWEZNQCLSA-N 2 2 333.480 1.426 50 0 EDAALP CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000067784048 215210590 /nfs/dbraw/zinc/21/05/90/215210590.db2.gz GCOIZHIDCJSICW-AWEZNQCLSA-N 2 2 333.480 1.426 50 0 EDAALP COc1ccc(OC)c([C@@H](C)Nc2nc(N)[nH+]c3c2CC[NH2+]CC3)c1 ZINC000072407693 216198654 /nfs/dbraw/zinc/19/86/54/216198654.db2.gz IFMZGEUMZYDQSP-LLVKDONJSA-N 2 2 343.431 1.937 50 0 EDAALP c1c[nH+]c(CNc2ncnc3c2CC[N@H+](C[C@@H]2CCOC2)CC3)[nH]1 ZINC000072457217 216241917 /nfs/dbraw/zinc/24/19/17/216241917.db2.gz CRCIACBNQDSMMS-ZDUSSCGKSA-N 2 2 328.420 1.249 50 0 EDAALP c1c[nH+]c(CNc2ncnc3c2CC[N@@H+](C[C@@H]2CCOC2)CC3)[nH]1 ZINC000072457217 216241919 /nfs/dbraw/zinc/24/19/19/216241919.db2.gz CRCIACBNQDSMMS-ZDUSSCGKSA-N 2 2 328.420 1.249 50 0 EDAALP C[N@H+](CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1)Cc1ccccc1F ZINC000244691895 243061291 /nfs/dbraw/zinc/06/12/91/243061291.db2.gz JKXOFADQQYOZML-ROUUACIJSA-N 2 2 349.450 1.627 50 0 EDAALP C[N@@H+](CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1)Cc1ccccc1F ZINC000244691895 243061298 /nfs/dbraw/zinc/06/12/98/243061298.db2.gz JKXOFADQQYOZML-ROUUACIJSA-N 2 2 349.450 1.627 50 0 EDAALP C[C@@H](O)CN1CC2(CCC1=O)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000092020921 218104667 /nfs/dbraw/zinc/10/46/67/218104667.db2.gz CSAHNDPAPGJDHM-MRXNPFEDSA-N 2 2 334.464 1.359 50 0 EDAALP C[C@H](CSc1nnnn1-c1ccccc1)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000097468313 219026695 /nfs/dbraw/zinc/02/66/95/219026695.db2.gz NFQBTRNTQPGJRS-GFCCVEGCSA-N 2 2 341.444 1.924 50 0 EDAALP C[C@H](CSc1nnnn1-c1ccccc1)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000097468313 219026696 /nfs/dbraw/zinc/02/66/96/219026696.db2.gz NFQBTRNTQPGJRS-GFCCVEGCSA-N 2 2 341.444 1.924 50 0 EDAALP CN(Cc1[nH]cc[nH+]1)Cc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000299795481 258099993 /nfs/dbraw/zinc/09/99/93/258099993.db2.gz MEMYDJIHDPEQAB-UHFFFAOYSA-N 2 2 329.448 1.326 50 0 EDAALP C[N@H+](Cc1ncc[nH]1)Cc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000299795481 258099994 /nfs/dbraw/zinc/09/99/94/258099994.db2.gz MEMYDJIHDPEQAB-UHFFFAOYSA-N 2 2 329.448 1.326 50 0 EDAALP C[N@@H+](Cc1ncc[nH]1)Cc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000299795481 258099996 /nfs/dbraw/zinc/09/99/96/258099996.db2.gz MEMYDJIHDPEQAB-UHFFFAOYSA-N 2 2 329.448 1.326 50 0 EDAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000067674657 277228883 /nfs/dbraw/zinc/22/88/83/277228883.db2.gz LORSVVUKJXMEJQ-INIZCTEOSA-N 2 2 349.475 1.719 50 0 EDAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000067674657 277228886 /nfs/dbraw/zinc/22/88/86/277228886.db2.gz LORSVVUKJXMEJQ-INIZCTEOSA-N 2 2 349.475 1.719 50 0 EDAALP COc1c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)nn1C ZINC000058316939 441178028 /nfs/dbraw/zinc/17/80/28/441178028.db2.gz FSHVURBNGNRGQP-QGZVFWFLSA-N 2 2 344.459 1.246 50 0 EDAALP COc1c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)nn1C ZINC000058316939 441178031 /nfs/dbraw/zinc/17/80/31/441178031.db2.gz FSHVURBNGNRGQP-QGZVFWFLSA-N 2 2 344.459 1.246 50 0 EDAALP Cc1cccn2c(CC(=O)NCc3cc4n(n3)CCC[NH2+]C4)c[nH+]c12 ZINC000082134676 441336716 /nfs/dbraw/zinc/33/67/16/441336716.db2.gz JIQGLSYGEHNPMF-UHFFFAOYSA-N 2 2 338.415 1.191 50 0 EDAALP CCCC[N@H+](C)Cc1nc2nc(C)cc(N3CC[NH+](CC)CC3)n2n1 ZINC000065311645 441416590 /nfs/dbraw/zinc/41/65/90/441416590.db2.gz UEOAKHOGEVIGJU-UHFFFAOYSA-N 2 2 345.495 1.807 50 0 EDAALP CCCC[N@@H+](C)Cc1nc2nc(C)cc(N3CC[NH+](CC)CC3)n2n1 ZINC000065311645 441416592 /nfs/dbraw/zinc/41/65/92/441416592.db2.gz UEOAKHOGEVIGJU-UHFFFAOYSA-N 2 2 345.495 1.807 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000077356819 441763076 /nfs/dbraw/zinc/76/30/76/441763076.db2.gz VSOGUABPLZOLHQ-UHFFFAOYSA-N 2 2 333.480 1.361 50 0 EDAALP C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069533324 441968896 /nfs/dbraw/zinc/96/88/96/441968896.db2.gz BVNWPAKSCARTNC-CYBMUJFWSA-N 2 2 327.432 1.742 50 0 EDAALP C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069533324 441968901 /nfs/dbraw/zinc/96/89/01/441968901.db2.gz BVNWPAKSCARTNC-CYBMUJFWSA-N 2 2 327.432 1.742 50 0 EDAALP C[N@@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccc(F)nc3)CC2)C1 ZINC000095518284 441945496 /nfs/dbraw/zinc/94/54/96/441945496.db2.gz QIZRFKFMWROSOF-AWEZNQCLSA-N 2 2 335.427 1.712 50 0 EDAALP C[N@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccc(F)nc3)CC2)C1 ZINC000095518284 441945500 /nfs/dbraw/zinc/94/55/00/441945500.db2.gz QIZRFKFMWROSOF-AWEZNQCLSA-N 2 2 335.427 1.712 50 0 EDAALP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N1CCOCC1 ZINC000170599823 442234164 /nfs/dbraw/zinc/23/41/64/442234164.db2.gz WZBIQIYYAICQMT-IBGZPJMESA-N 2 2 347.503 1.982 50 0 EDAALP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N1CCOCC1 ZINC000170599823 442234166 /nfs/dbraw/zinc/23/41/66/442234166.db2.gz WZBIQIYYAICQMT-IBGZPJMESA-N 2 2 347.503 1.982 50 0 EDAALP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000252504737 443035481 /nfs/dbraw/zinc/03/54/81/443035481.db2.gz FBJSUVXAJHTPMA-FHWLQOOXSA-N 2 2 345.487 1.737 50 0 EDAALP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000252504737 443035486 /nfs/dbraw/zinc/03/54/86/443035486.db2.gz FBJSUVXAJHTPMA-FHWLQOOXSA-N 2 2 345.487 1.737 50 0 EDAALP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1CCOC[C@H]1C ZINC000252517686 443040164 /nfs/dbraw/zinc/04/01/64/443040164.db2.gz OOJSZCNCMDSDBU-KLHDSHLOSA-N 2 2 326.485 1.268 50 0 EDAALP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+]1CCOC[C@H]1C ZINC000252517686 443040168 /nfs/dbraw/zinc/04/01/68/443040168.db2.gz OOJSZCNCMDSDBU-KLHDSHLOSA-N 2 2 326.485 1.268 50 0 EDAALP CC[NH+]1CCN(C(C)(C)CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000223430753 443089852 /nfs/dbraw/zinc/08/98/52/443089852.db2.gz ILCJLHSQJBZAMC-UHFFFAOYSA-N 3 2 347.511 1.092 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2nc(C)cc2C)CC1 ZINC000253374431 443052036 /nfs/dbraw/zinc/05/20/36/443052036.db2.gz MHWZGCCHRCMYBL-ROUUACIJSA-N 2 2 347.507 1.517 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2nc(C)cc2C)CC1 ZINC000253374431 443052040 /nfs/dbraw/zinc/05/20/40/443052040.db2.gz MHWZGCCHRCMYBL-ROUUACIJSA-N 2 2 347.507 1.517 50 0 EDAALP C[NH+]1CCN(C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000584891169 448667170 /nfs/dbraw/zinc/66/71/70/448667170.db2.gz WQKQUPKIEBQYKU-SFHVURJKSA-N 2 2 336.524 1.348 50 0 EDAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000670460191 486551168 /nfs/dbraw/zinc/55/11/68/486551168.db2.gz OGALGEOWMLYFAG-HNNXBMFYSA-N 2 2 327.432 1.951 50 0 EDAALP COCCC[C@H]1CCCN(c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)C1 ZINC000096141336 237030932 /nfs/dbraw/zinc/03/09/32/237030932.db2.gz ZLITWFKHAAJVDI-OAHLLOKOSA-N 2 2 348.495 1.454 50 0 EDAALP O=C(CC[N@H+](Cc1cccnc1)[C@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC000072157337 216046916 /nfs/dbraw/zinc/04/69/16/216046916.db2.gz IEUZGDZMPZDVJC-SFHVURJKSA-N 2 2 328.460 1.647 50 0 EDAALP O=C(CC[N@@H+](Cc1cccnc1)[C@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC000072157337 216046917 /nfs/dbraw/zinc/04/69/17/216046917.db2.gz IEUZGDZMPZDVJC-SFHVURJKSA-N 2 2 328.460 1.647 50 0 EDAALP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)n1 ZINC000023375570 212372810 /nfs/dbraw/zinc/37/28/10/212372810.db2.gz VANYQBBSRACPSY-IBGZPJMESA-N 2 2 332.492 1.353 50 0 EDAALP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)n1 ZINC000023375570 212372812 /nfs/dbraw/zinc/37/28/12/212372812.db2.gz VANYQBBSRACPSY-IBGZPJMESA-N 2 2 332.492 1.353 50 0 EDAALP C[C@@H](C(=O)NCCn1cc[nH+]c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000078926845 217150328 /nfs/dbraw/zinc/15/03/28/217150328.db2.gz QRTWQEYHCSKWBP-HNNXBMFYSA-N 2 2 345.422 1.349 50 0 EDAALP Cn1cc[nH+]c1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011819602 211252764 /nfs/dbraw/zinc/25/27/64/211252764.db2.gz XOCLQVGVNOXDLE-OAHLLOKOSA-N 2 2 345.491 1.375 50 0 EDAALP Cn1cc[nH+]c1CN1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011819602 211252767 /nfs/dbraw/zinc/25/27/67/211252767.db2.gz XOCLQVGVNOXDLE-OAHLLOKOSA-N 2 2 345.491 1.375 50 0 EDAALP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000095374592 218307811 /nfs/dbraw/zinc/30/78/11/218307811.db2.gz NVYQIWBOCIBRQT-SFHVURJKSA-N 2 2 349.450 1.752 50 0 EDAALP Cc1ccccc1[C@@H](C(=O)N(CCO)Cc1[nH+]ccn1C)[NH+](C)C ZINC000095389114 218320933 /nfs/dbraw/zinc/32/09/33/218320933.db2.gz VZJNONKFKMFRNI-KRWDZBQOSA-N 2 2 330.432 1.352 50 0 EDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000299738508 258010874 /nfs/dbraw/zinc/01/08/74/258010874.db2.gz BRYQYIGPNAQIIW-NXHRZFHOSA-N 2 2 346.475 1.856 50 0 EDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000299738507 258011041 /nfs/dbraw/zinc/01/10/41/258011041.db2.gz BRYQYIGPNAQIIW-JQHSSLGASA-N 2 2 346.475 1.856 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426382734 447429937 /nfs/dbraw/zinc/42/99/37/447429937.db2.gz OARDTUMLKBNEAV-HNNXBMFYSA-N 2 2 344.463 1.522 50 0 EDAALP Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nc(N)[nH+]1 ZINC000045724806 441023678 /nfs/dbraw/zinc/02/36/78/441023678.db2.gz HJZUIGUEXDADMV-UHFFFAOYSA-N 2 2 341.415 1.461 50 0 EDAALP CN(C)c1cc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000058248303 441165835 /nfs/dbraw/zinc/16/58/35/441165835.db2.gz DIKFBYNMHFFBFX-MRXNPFEDSA-N 2 2 347.463 1.154 50 0 EDAALP C[C@H]1C[N@H+](C[C@H](O)COCc2ccco2)CCN1Cc1[nH+]ccn1C ZINC000069535714 441969217 /nfs/dbraw/zinc/96/92/17/441969217.db2.gz NBZLGOWMVAGNSP-HOTGVXAUSA-N 2 2 348.447 1.097 50 0 EDAALP C[C@H]1C[N@@H+](C[C@H](O)COCc2ccco2)CCN1Cc1[nH+]ccn1C ZINC000069535714 441969223 /nfs/dbraw/zinc/96/92/23/441969223.db2.gz NBZLGOWMVAGNSP-HOTGVXAUSA-N 2 2 348.447 1.097 50 0 EDAALP COc1ccc2nc(C)cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2c1 ZINC000095971632 441964354 /nfs/dbraw/zinc/96/43/54/441964354.db2.gz DPYCYRXSGMCUFW-CYBMUJFWSA-N 2 2 328.416 1.267 50 0 EDAALP COc1ccc2nc(C)cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2c1 ZINC000095971632 441964355 /nfs/dbraw/zinc/96/43/55/441964355.db2.gz DPYCYRXSGMCUFW-CYBMUJFWSA-N 2 2 328.416 1.267 50 0 EDAALP C[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069849156 442056541 /nfs/dbraw/zinc/05/65/41/442056541.db2.gz UBABIKQPKFHGIB-APWZRJJASA-N 2 2 328.460 1.834 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069849156 442056542 /nfs/dbraw/zinc/05/65/42/442056542.db2.gz UBABIKQPKFHGIB-APWZRJJASA-N 2 2 328.460 1.834 50 0 EDAALP C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+]1CCCCCC1 ZINC000096436209 442129724 /nfs/dbraw/zinc/12/97/24/442129724.db2.gz LZSPMKVBNBHSBN-ZDUSSCGKSA-N 2 2 337.468 1.747 50 0 EDAALP O=C1[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN2C(=O)N1c1ccccc1 ZINC000097370618 442191178 /nfs/dbraw/zinc/19/11/78/442191178.db2.gz UMRNBJANWAIFEQ-INIZCTEOSA-N 2 2 339.399 1.426 50 0 EDAALP O=C1[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN2C(=O)N1c1ccccc1 ZINC000097370618 442191181 /nfs/dbraw/zinc/19/11/81/442191181.db2.gz UMRNBJANWAIFEQ-INIZCTEOSA-N 2 2 339.399 1.426 50 0 EDAALP CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128993041 442297897 /nfs/dbraw/zinc/29/78/97/442297897.db2.gz YVODWEGSCOTDOF-IBGZPJMESA-N 2 2 331.460 1.667 50 0 EDAALP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000156552896 442493741 /nfs/dbraw/zinc/49/37/41/442493741.db2.gz XFXWGNDAGPAJNB-YJBOKZPZSA-N 2 2 331.460 1.718 50 0 EDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1F ZINC000237300297 443167801 /nfs/dbraw/zinc/16/78/01/443167801.db2.gz ILVGWRADDCESNQ-CABCVRRESA-N 2 2 335.423 1.606 50 0 EDAALP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NCc3[nH]cc[nH+]3)c2)CC1 ZINC000408516481 447669430 /nfs/dbraw/zinc/66/94/30/447669430.db2.gz RFTODBJDEGRDCB-UHFFFAOYSA-N 2 2 349.460 1.348 50 0 EDAALP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NCc3[nH]cc[nH+]3)c2)CC1 ZINC000408516481 447669434 /nfs/dbraw/zinc/66/94/34/447669434.db2.gz RFTODBJDEGRDCB-UHFFFAOYSA-N 2 2 349.460 1.348 50 0 EDAALP CC[NH+]1CCC(CNC(=O)NC[C@H](O)c2ccccc2)([NH+](C)C)CC1 ZINC000534632197 448457915 /nfs/dbraw/zinc/45/79/15/448457915.db2.gz NHPOHNWZMNQUCY-KRWDZBQOSA-N 2 2 348.491 1.435 50 0 EDAALP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCC2(Cn3cc[nH+]c3)CC2)C1 ZINC000534661981 448463231 /nfs/dbraw/zinc/46/32/31/448463231.db2.gz GCELEWFGDZJRDD-OAHLLOKOSA-N 2 2 331.464 1.932 50 0 EDAALP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCC2(Cn3cc[nH+]c3)CC2)C1 ZINC000534661981 448463236 /nfs/dbraw/zinc/46/32/36/448463236.db2.gz GCELEWFGDZJRDD-OAHLLOKOSA-N 2 2 331.464 1.932 50 0 EDAALP C[NH+]1CCN(C[C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000584891168 448666851 /nfs/dbraw/zinc/66/68/51/448666851.db2.gz WQKQUPKIEBQYKU-GOSISDBHSA-N 2 2 336.524 1.348 50 0 EDAALP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1[NH+]1CCOCC1 ZINC000084735803 486282219 /nfs/dbraw/zinc/28/22/19/486282219.db2.gz AMVASXUAGQUWSM-SJORKVTESA-N 2 2 334.464 1.541 50 0 EDAALP Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072125636 216016097 /nfs/dbraw/zinc/01/60/97/216016097.db2.gz VOQQLBSLDXLREW-KRWDZBQOSA-N 2 2 344.463 1.056 50 0 EDAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000072157081 216047359 /nfs/dbraw/zinc/04/73/59/216047359.db2.gz NCMIZPWBYXXERB-GOSISDBHSA-N 2 2 330.432 1.260 50 0 EDAALP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193930421 240365769 /nfs/dbraw/zinc/36/57/69/240365769.db2.gz DZDPKJGTCOTLEI-KRWDZBQOSA-N 2 2 327.432 1.704 50 0 EDAALP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193930421 240365777 /nfs/dbraw/zinc/36/57/77/240365777.db2.gz DZDPKJGTCOTLEI-KRWDZBQOSA-N 2 2 327.432 1.704 50 0 EDAALP O=C(C[C@@H]1COCC[N@@H+]1Cc1cccs1)NCCc1c[nH+]c[nH]1 ZINC000072435376 216230024 /nfs/dbraw/zinc/23/00/24/216230024.db2.gz PLAVGIVIGVDJIX-CQSZACIVSA-N 2 2 334.445 1.421 50 0 EDAALP O=C(C[C@@H]1COCC[N@H+]1Cc1cccs1)NCCc1c[nH+]c[nH]1 ZINC000072435376 216230028 /nfs/dbraw/zinc/23/00/28/216230028.db2.gz PLAVGIVIGVDJIX-CQSZACIVSA-N 2 2 334.445 1.421 50 0 EDAALP O=C(C[C@@H]1COCC[N@@H+]1Cc1cccs1)NCCc1c[nH]c[nH+]1 ZINC000072435376 216230031 /nfs/dbraw/zinc/23/00/31/216230031.db2.gz PLAVGIVIGVDJIX-CQSZACIVSA-N 2 2 334.445 1.421 50 0 EDAALP O=C(C[C@@H]1COCC[N@H+]1Cc1cccs1)NCCc1c[nH]c[nH+]1 ZINC000072435376 216230034 /nfs/dbraw/zinc/23/00/34/216230034.db2.gz PLAVGIVIGVDJIX-CQSZACIVSA-N 2 2 334.445 1.421 50 0 EDAALP Cc1cc2nc(C)cc(N3CC[NH+](C4CC[NH+](C)CC4)CC3)n2n1 ZINC000072463123 216245196 /nfs/dbraw/zinc/24/51/96/216245196.db2.gz LLUKJFRGDGLFPD-UHFFFAOYSA-N 2 2 328.464 1.562 50 0 EDAALP Cc1nc(CN2CC[NH+](Cc3cc(C[NH+](C)C)cs3)CC2)no1 ZINC000215477124 241129768 /nfs/dbraw/zinc/12/97/68/241129768.db2.gz 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O=C(NCCn1cc[nH+]c1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000095409189 218345716 /nfs/dbraw/zinc/34/57/16/218345716.db2.gz VHICXDKPKCUXSA-UHFFFAOYSA-N 2 2 349.479 1.465 50 0 EDAALP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](C)O1 ZINC000044953765 440925237 /nfs/dbraw/zinc/92/52/37/440925237.db2.gz BROIMODZKMSGPV-OKILXGFUSA-N 2 2 335.452 1.056 50 0 EDAALP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](C)O1 ZINC000044953765 440925243 /nfs/dbraw/zinc/92/52/43/440925243.db2.gz BROIMODZKMSGPV-OKILXGFUSA-N 2 2 335.452 1.056 50 0 EDAALP Cc1cc2n(n1)C[C@H](C[NH2+]C1CC[NH+](Cc3ccccn3)CC1)CN2 ZINC000058291772 441173613 /nfs/dbraw/zinc/17/36/13/441173613.db2.gz YRXPCYYIXLJNFX-MRXNPFEDSA-N 2 2 340.475 1.882 50 0 EDAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000071775589 441153911 /nfs/dbraw/zinc/15/39/11/441153911.db2.gz MFLFQPKXTZNUIQ-HOTGVXAUSA-N 3 2 347.507 1.478 50 0 EDAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000071775589 441153916 /nfs/dbraw/zinc/15/39/16/441153916.db2.gz MFLFQPKXTZNUIQ-HOTGVXAUSA-N 3 2 347.507 1.478 50 0 EDAALP CC1CC[NH+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000061758055 441287384 /nfs/dbraw/zinc/28/73/84/441287384.db2.gz JRMKIQAWYGYBMQ-UHFFFAOYSA-N 2 2 345.487 1.942 50 0 EDAALP Cc1cccc([C@H](C(=O)NCC2(C[NH+]3CCOCC3)CC2)[NH+](C)C)c1 ZINC000065460339 441438143 /nfs/dbraw/zinc/43/81/43/441438143.db2.gz LAZMCVMSBKPOST-GOSISDBHSA-N 2 2 345.487 1.826 50 0 EDAALP CC[N@@H+]1CCc2ncnc(N3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000065487613 441443431 /nfs/dbraw/zinc/44/34/31/441443431.db2.gz SSFJIGLPUWRASN-UHFFFAOYSA-N 2 2 338.459 1.572 50 0 EDAALP CC[N@H+]1CCc2ncnc(N3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000065487613 441443436 /nfs/dbraw/zinc/44/34/36/441443436.db2.gz SSFJIGLPUWRASN-UHFFFAOYSA-N 2 2 338.459 1.572 50 0 EDAALP CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000065611172 441469608 /nfs/dbraw/zinc/46/96/08/441469608.db2.gz YBDGZWINSHRFLI-OAHLLOKOSA-N 2 2 334.445 1.386 50 0 EDAALP CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000065611172 441469609 /nfs/dbraw/zinc/46/96/09/441469609.db2.gz YBDGZWINSHRFLI-OAHLLOKOSA-N 2 2 334.445 1.386 50 0 EDAALP CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCc1cccc(OC(F)(F)F)c1 ZINC000075274140 441515106 /nfs/dbraw/zinc/51/51/06/441515106.db2.gz RYPMALYGHRVVLI-UHFFFAOYSA-N 2 2 331.298 1.698 50 0 EDAALP C[C@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000089900985 441592594 /nfs/dbraw/zinc/59/25/94/441592594.db2.gz RZRODTKCLHWKAK-HIFRSBDPSA-N 2 2 340.493 1.371 50 0 EDAALP C[NH+](C)[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000095419045 441924622 /nfs/dbraw/zinc/92/46/22/441924622.db2.gz NQKOUORGDAOBBB-KRWDZBQOSA-N 2 2 339.505 1.173 50 0 EDAALP Cc1cc(N2CCC([N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)nc(N(C)C)[nH+]1 ZINC000095527313 441950535 /nfs/dbraw/zinc/95/05/35/441950535.db2.gz KWFAOLVHLXYNBD-DOTOQJQBSA-N 3 2 344.507 1.504 50 0 EDAALP Cc1cc(N2CCC([N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)nc(N(C)C)[nH+]1 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LDNPVVFNWOHNKU-QZTJIDSGSA-N 2 2 331.460 1.176 50 0 EDAALP Cc1cccn2c(CC(=O)N3CCOC[C@@H](C[NH+](C)C)C3)c[nH+]c12 ZINC000584885072 448664130 /nfs/dbraw/zinc/66/41/30/448664130.db2.gz HVTXLKHQUKSLFV-HNNXBMFYSA-N 2 2 330.432 1.222 50 0 EDAALP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055154522 214280151 /nfs/dbraw/zinc/28/01/51/214280151.db2.gz VZGBYOXDVHEJMB-HNNXBMFYSA-N 2 2 346.431 1.651 50 0 EDAALP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055154522 214280155 /nfs/dbraw/zinc/28/01/55/214280155.db2.gz VZGBYOXDVHEJMB-HNNXBMFYSA-N 2 2 346.431 1.651 50 0 EDAALP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cn21 ZINC000101387964 219125308 /nfs/dbraw/zinc/12/53/08/219125308.db2.gz YEPFOSGDDSGFCO-MRXNPFEDSA-N 2 2 325.416 1.798 50 0 EDAALP OCC1(O)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000067756395 215204626 /nfs/dbraw/zinc/20/46/26/215204626.db2.gz RXNYJKPRUXOMHN-SFHVURJKSA-N 2 2 334.460 1.097 50 0 EDAALP OCC1(O)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000067756395 215204630 /nfs/dbraw/zinc/20/46/30/215204630.db2.gz RXNYJKPRUXOMHN-SFHVURJKSA-N 2 2 334.460 1.097 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072422632 216211815 /nfs/dbraw/zinc/21/18/15/216211815.db2.gz NAKGJQMYFHGXQY-MRXNPFEDSA-N 3 2 346.523 1.732 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072422632 216211817 /nfs/dbraw/zinc/21/18/17/216211817.db2.gz NAKGJQMYFHGXQY-MRXNPFEDSA-N 3 2 346.523 1.732 50 0 EDAALP O=C1CC[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072424051 216212696 /nfs/dbraw/zinc/21/26/96/216212696.db2.gz AZLNSBGNNZSNBS-FUHWJXTLSA-N 2 2 339.443 1.860 50 0 EDAALP O=C1CC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072424051 216212700 /nfs/dbraw/zinc/21/27/00/216212700.db2.gz AZLNSBGNNZSNBS-FUHWJXTLSA-N 2 2 339.443 1.860 50 0 EDAALP O=C1CC[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072424051 216212703 /nfs/dbraw/zinc/21/27/03/216212703.db2.gz AZLNSBGNNZSNBS-FUHWJXTLSA-N 2 2 339.443 1.860 50 0 EDAALP O=C1CC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072424051 216212705 /nfs/dbraw/zinc/21/27/05/216212705.db2.gz AZLNSBGNNZSNBS-FUHWJXTLSA-N 2 2 339.443 1.860 50 0 EDAALP COc1cc2[nH+]c(N3CCC[C@H]([NH+](C)C)C3)nc(N)c2cc1OC ZINC000078617823 217088581 /nfs/dbraw/zinc/08/85/81/217088581.db2.gz YNYSGMMDIDQTEM-NSHDSACASA-N 2 2 331.420 1.760 50 0 EDAALP CCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000078657028 217096345 /nfs/dbraw/zinc/09/63/45/217096345.db2.gz MKDMXIKCMZANRB-UHFFFAOYSA-N 2 2 345.491 1.783 50 0 EDAALP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000111864799 220214650 /nfs/dbraw/zinc/21/46/50/220214650.db2.gz KPGQKUYZBMZERB-INIZCTEOSA-N 2 2 347.463 1.024 50 0 EDAALP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000111864799 220214655 /nfs/dbraw/zinc/21/46/55/220214655.db2.gz KPGQKUYZBMZERB-INIZCTEOSA-N 2 2 347.463 1.024 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](C2CCOCC2)CC1 ZINC000091847369 218076543 /nfs/dbraw/zinc/07/65/43/218076543.db2.gz UEUXOBSLERKOMZ-UHFFFAOYSA-N 2 2 330.436 1.418 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1C ZINC000092037875 218107435 /nfs/dbraw/zinc/10/74/35/218107435.db2.gz HWOYDWQSEILUEJ-UHFFFAOYSA-N 3 2 343.479 1.300 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000092078193 218116451 /nfs/dbraw/zinc/11/64/51/218116451.db2.gz AVXTWTCRRFKMPD-UHFFFAOYSA-N 2 2 326.408 1.163 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000092078193 218116453 /nfs/dbraw/zinc/11/64/53/218116453.db2.gz AVXTWTCRRFKMPD-UHFFFAOYSA-N 2 2 326.408 1.163 50 0 EDAALP OC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1C[NH+]1CCCCC1 ZINC000092046394 218110874 /nfs/dbraw/zinc/11/08/74/218110874.db2.gz KCPFIOHTTMFKMO-IAGOWNOFSA-N 2 2 332.444 1.942 50 0 EDAALP OC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1C[NH+]1CCCCC1 ZINC000092046394 218110877 /nfs/dbraw/zinc/11/08/77/218110877.db2.gz KCPFIOHTTMFKMO-IAGOWNOFSA-N 2 2 332.444 1.942 50 0 EDAALP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000095358685 218291535 /nfs/dbraw/zinc/29/15/35/218291535.db2.gz TXAMANOYQWRULL-GOSISDBHSA-N 2 2 330.476 1.990 50 0 EDAALP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000095358685 218291538 /nfs/dbraw/zinc/29/15/38/218291538.db2.gz TXAMANOYQWRULL-GOSISDBHSA-N 2 2 330.476 1.990 50 0 EDAALP C[NH+](C)CC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095387860 218319645 /nfs/dbraw/zinc/31/96/45/218319645.db2.gz KBVXEWRGMNHWNB-NIKGAXFTSA-N 2 2 349.425 1.915 50 0 EDAALP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(O)CCCCCC2)CC1 ZINC000095443488 218388187 /nfs/dbraw/zinc/38/81/87/218388187.db2.gz FVDBQQSQJNDEOB-UHFFFAOYSA-N 2 2 340.512 1.397 50 0 EDAALP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000167508545 226191388 /nfs/dbraw/zinc/19/13/88/226191388.db2.gz HVFAMHPZEJSYDJ-MJGOQNOKSA-N 2 2 345.487 1.736 50 0 EDAALP CNS(=O)(=O)c1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000284918575 274386346 /nfs/dbraw/zinc/38/63/46/274386346.db2.gz VQAFPLROXQQMAA-UHFFFAOYSA-N 2 2 334.445 1.240 50 0 EDAALP CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000284918575 274386348 /nfs/dbraw/zinc/38/63/48/274386348.db2.gz VQAFPLROXQQMAA-UHFFFAOYSA-N 2 2 334.445 1.240 50 0 EDAALP Cc1cc(NC2CC[NH+](CC(N)=O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000065539984 274718632 /nfs/dbraw/zinc/71/86/32/274718632.db2.gz IBWAADALRQXNJX-UHFFFAOYSA-N 2 2 326.404 1.209 50 0 EDAALP C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000187966582 279351983 /nfs/dbraw/zinc/35/19/83/279351983.db2.gz RBHYNPQSWJYEFD-PBHICJAKSA-N 2 2 331.439 1.864 50 0 EDAALP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000070019681 441104870 /nfs/dbraw/zinc/10/48/70/441104870.db2.gz SBLSKSFPKOJTKC-CYBMUJFWSA-N 2 2 333.436 1.501 50 0 EDAALP CO[C@H]1CN(C(=O)Cn2c3ccccc3[nH+]c2C2CC2)CC[C@H]1[NH3+] ZINC000071419249 441146792 /nfs/dbraw/zinc/14/67/92/441146792.db2.gz FIRHCECQMUJEOW-CJNGLKHVSA-N 2 2 328.416 1.488 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000014215211 441179423 /nfs/dbraw/zinc/17/94/23/441179423.db2.gz GCQWTRQXTCHKQG-HNNXBMFYSA-N 2 2 338.415 1.676 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000014215211 441179424 /nfs/dbraw/zinc/17/94/24/441179424.db2.gz GCQWTRQXTCHKQG-HNNXBMFYSA-N 2 2 338.415 1.676 50 0 EDAALP COc1c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)nn1C ZINC000058393360 441188747 /nfs/dbraw/zinc/18/87/47/441188747.db2.gz MNGZIVYAMLFDEM-UHFFFAOYSA-N 2 2 329.448 1.886 50 0 EDAALP C(C[NH2+]C[C@H]1COC2(CCCC2)O1)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000019996053 441262270 /nfs/dbraw/zinc/26/22/70/441262270.db2.gz HHAHKYISQVFGKB-HOTGVXAUSA-N 2 2 340.464 1.537 50 0 EDAALP Cc1cn2cc(C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)ccc2[nH+]1 ZINC000082139064 441337013 /nfs/dbraw/zinc/33/70/13/441337013.db2.gz XXTGLCOKXFWAAT-INIZCTEOSA-N 2 2 330.432 1.826 50 0 EDAALP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065473336 441441044 /nfs/dbraw/zinc/44/10/44/441441044.db2.gz XTOZTDQDNSNXSA-HNNXBMFYSA-N 2 2 342.447 1.804 50 0 EDAALP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000065473336 441441045 /nfs/dbraw/zinc/44/10/45/441441045.db2.gz XTOZTDQDNSNXSA-HNNXBMFYSA-N 2 2 342.447 1.804 50 0 EDAALP CC[NH+]1CCN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2F)CC1 ZINC000078488413 441936650 /nfs/dbraw/zinc/93/66/50/441936650.db2.gz XOOZQFXGEYAAGE-UHFFFAOYSA-N 2 2 345.422 1.631 50 0 EDAALP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3ccc(F)nc3)CC2)C1 ZINC000095518285 441946304 /nfs/dbraw/zinc/94/63/04/441946304.db2.gz QIZRFKFMWROSOF-CQSZACIVSA-N 2 2 335.427 1.712 50 0 EDAALP C[N@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3ccc(F)nc3)CC2)C1 ZINC000095518285 441946308 /nfs/dbraw/zinc/94/63/08/441946308.db2.gz QIZRFKFMWROSOF-CQSZACIVSA-N 2 2 335.427 1.712 50 0 EDAALP c1cc(N2CCCC2)nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000095961980 441961958 /nfs/dbraw/zinc/96/19/58/441961958.db2.gz KFNRLSGGURAJKK-MRXNPFEDSA-N 2 2 331.464 1.625 50 0 EDAALP c1ccc2c(c1)C[C@H]2C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000095967676 441963104 /nfs/dbraw/zinc/96/31/04/441963104.db2.gz RGJYMAYLYUYGQS-SFHVURJKSA-N 2 2 329.488 1.713 50 0 EDAALP c1ccc2c(c1)C[C@H]2C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000095967676 441963108 /nfs/dbraw/zinc/96/31/08/441963108.db2.gz RGJYMAYLYUYGQS-SFHVURJKSA-N 2 2 329.488 1.713 50 0 EDAALP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000095968267 441965067 /nfs/dbraw/zinc/96/50/67/441965067.db2.gz QXZHKHQYBYKNBP-GJZGRUSLSA-N 2 2 340.489 1.709 50 0 EDAALP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000253370198 443051219 /nfs/dbraw/zinc/05/12/19/443051219.db2.gz NQAVKQAAPBEIDN-IPMKNSEASA-N 2 2 349.519 1.330 50 0 EDAALP C(C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1)N1CCOCC1 ZINC000253370198 443051224 /nfs/dbraw/zinc/05/12/24/443051224.db2.gz NQAVKQAAPBEIDN-IPMKNSEASA-N 2 2 349.519 1.330 50 0 EDAALP CCN1CCO[C@@H](C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000229559778 443130552 /nfs/dbraw/zinc/13/05/52/443130552.db2.gz GNMIRJBAYMLUCC-SJORKVTESA-N 2 2 346.475 1.324 50 0 EDAALP O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000426496806 447457029 /nfs/dbraw/zinc/45/70/29/447457029.db2.gz FUQSJVDBFPCOST-HOTGVXAUSA-N 2 2 344.415 1.508 50 0 EDAALP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523121 447676082 /nfs/dbraw/zinc/67/60/82/447676082.db2.gz HBIIJBBBZPZNOC-IRXDYDNUSA-N 2 2 348.491 1.448 50 0 EDAALP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523121 447676086 /nfs/dbraw/zinc/67/60/86/447676086.db2.gz HBIIJBBBZPZNOC-IRXDYDNUSA-N 2 2 348.491 1.448 50 0 EDAALP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523121 447676093 /nfs/dbraw/zinc/67/60/93/447676093.db2.gz HBIIJBBBZPZNOC-IRXDYDNUSA-N 2 2 348.491 1.448 50 0 EDAALP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523121 447676095 /nfs/dbraw/zinc/67/60/95/447676095.db2.gz HBIIJBBBZPZNOC-IRXDYDNUSA-N 2 2 348.491 1.448 50 0 EDAALP CCn1c[nH+]cc1CNC(=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000534646685 448460465 /nfs/dbraw/zinc/46/04/65/448460465.db2.gz DJPHAOAFQPXNHK-INIZCTEOSA-N 2 2 349.479 1.689 50 0 EDAALP CC[NH+]1CCC(CNc2nc(C)[nH]c(=O)c2Cl)([NH+](C)C)CC1 ZINC000584903264 448672484 /nfs/dbraw/zinc/67/24/84/448672484.db2.gz CMUOIKXSKBOKKW-UHFFFAOYSA-N 2 2 327.860 1.972 50 0 EDAALP CNC(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000083881837 486236689 /nfs/dbraw/zinc/23/66/89/486236689.db2.gz NOMWJWQEWLDRNF-HNNXBMFYSA-N 2 2 328.416 1.675 50 0 EDAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(N3CCOCC3)nc1)CCC2 ZINC000084613348 486272069 /nfs/dbraw/zinc/27/20/69/486272069.db2.gz BLOHNAYOWPQGAJ-OAHLLOKOSA-N 2 2 328.420 1.177 50 0 EDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CSc3ccccn3)C2)CC1 ZINC000012306242 711383035 /nfs/dbraw/zinc/38/30/35/711383035.db2.gz YKHKJFHCBMIZBA-OAHLLOKOSA-N 2 2 348.516 1.849 50 0 EDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CSc3ccccn3)C2)CC1 ZINC000012306242 711383038 /nfs/dbraw/zinc/38/30/38/711383038.db2.gz YKHKJFHCBMIZBA-OAHLLOKOSA-N 2 2 348.516 1.849 50 0 EDAALP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1cc2c(c[nH+]1)OCCO2 ZINC000685943093 539582742 /nfs/dbraw/zinc/58/27/42/539582742.db2.gz DBGLGVLHKPXOHA-MRXNPFEDSA-N 2 2 347.459 1.928 50 0 EDAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC([NH3+])CC2)nc1 ZINC000067973654 215263831 /nfs/dbraw/zinc/26/38/31/215263831.db2.gz VIUKCFMRMUNOMD-UHFFFAOYSA-N 2 2 342.447 1.405 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)c1n[nH]c3ccccc31)CCC[N@@H+]2C ZINC000067982889 215267531 /nfs/dbraw/zinc/26/75/31/215267531.db2.gz NXPPKBDFQVVXOT-UHFFFAOYSA-N 2 2 341.459 1.805 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)c1n[nH]c3ccccc31)CCC[N@H+]2C ZINC000067982889 215267533 /nfs/dbraw/zinc/26/75/33/215267533.db2.gz NXPPKBDFQVVXOT-UHFFFAOYSA-N 2 2 341.459 1.805 50 0 EDAALP CC(C)Cc1noc([C@H]2CCC[N@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)n1 ZINC000072143545 216029666 /nfs/dbraw/zinc/02/96/66/216029666.db2.gz UFGMEVZJLUYTET-AWEZNQCLSA-N 2 2 344.463 1.947 50 0 EDAALP CC(C)Cc1noc([C@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)n1 ZINC000072143545 216029667 /nfs/dbraw/zinc/02/96/67/216029667.db2.gz UFGMEVZJLUYTET-AWEZNQCLSA-N 2 2 344.463 1.947 50 0 EDAALP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193924142 240364207 /nfs/dbraw/zinc/36/42/07/240364207.db2.gz IUOLXZVLVWXSKG-GOSISDBHSA-N 2 2 346.475 1.140 50 0 EDAALP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193924142 240364209 /nfs/dbraw/zinc/36/42/09/240364209.db2.gz IUOLXZVLVWXSKG-GOSISDBHSA-N 2 2 346.475 1.140 50 0 EDAALP O[C@]1(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000072435880 216231135 /nfs/dbraw/zinc/23/11/35/216231135.db2.gz JAKRMGJRVLEABR-LJQANCHMSA-N 2 2 341.411 1.537 50 0 EDAALP O[C@]1(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000072435880 216231136 /nfs/dbraw/zinc/23/11/36/216231136.db2.gz JAKRMGJRVLEABR-LJQANCHMSA-N 2 2 341.411 1.537 50 0 EDAALP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)cn1 ZINC000072477674 216255180 /nfs/dbraw/zinc/25/51/80/216255180.db2.gz WIEZLEXQQOUPSF-DOTOQJQBSA-N 2 2 342.447 1.199 50 0 EDAALP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)cn1 ZINC000072477674 216255183 /nfs/dbraw/zinc/25/51/83/216255183.db2.gz WIEZLEXQQOUPSF-DOTOQJQBSA-N 2 2 342.447 1.199 50 0 EDAALP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)cn1 ZINC000072477674 216255185 /nfs/dbraw/zinc/25/51/85/216255185.db2.gz WIEZLEXQQOUPSF-DOTOQJQBSA-N 2 2 342.447 1.199 50 0 EDAALP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)cn1 ZINC000072477674 216255188 /nfs/dbraw/zinc/25/51/88/216255188.db2.gz WIEZLEXQQOUPSF-DOTOQJQBSA-N 2 2 342.447 1.199 50 0 EDAALP COCCn1cc[nH+]c1CN1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000216103162 241163102 /nfs/dbraw/zinc/16/31/02/241163102.db2.gz WIRXANPXBIVWBM-QGZVFWFLSA-N 2 2 336.480 1.606 50 0 EDAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]2O)CC1 ZINC000020541020 212145696 /nfs/dbraw/zinc/14/56/96/212145696.db2.gz AUFFBJHLNOUYSS-IAGOWNOFSA-N 2 2 341.858 1.662 50 0 EDAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]2O)CC1 ZINC000020541020 212145698 /nfs/dbraw/zinc/14/56/98/212145698.db2.gz AUFFBJHLNOUYSS-IAGOWNOFSA-N 2 2 341.858 1.662 50 0 EDAALP Cc1[nH+]cc(C[N@@H+]2C[C@H](NC(=O)C3CCOCC3)[C@@H](C3CC3)C2)n1C ZINC000091586368 218025672 /nfs/dbraw/zinc/02/56/72/218025672.db2.gz VQGCDMIOPNWJDB-MSOLQXFVSA-N 2 2 346.475 1.482 50 0 EDAALP Cc1[nH+]cc(C[N@H+]2C[C@H](NC(=O)C3CCOCC3)[C@@H](C3CC3)C2)n1C ZINC000091586368 218025673 /nfs/dbraw/zinc/02/56/73/218025673.db2.gz VQGCDMIOPNWJDB-MSOLQXFVSA-N 2 2 346.475 1.482 50 0 EDAALP CSCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000299776243 258086424 /nfs/dbraw/zinc/08/64/24/258086424.db2.gz MKWOCEGVFZINFU-UHFFFAOYSA-N 2 2 339.480 1.765 50 0 EDAALP CSCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000299776243 258086425 /nfs/dbraw/zinc/08/64/25/258086425.db2.gz MKWOCEGVFZINFU-UHFFFAOYSA-N 2 2 339.480 1.765 50 0 EDAALP C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)N2CCOc3ccccc3C2)CC1 ZINC000299766730 258081438 /nfs/dbraw/zinc/08/14/38/258081438.db2.gz KSRQTALEUZSEBV-SFHVURJKSA-N 2 2 343.471 1.966 50 0 EDAALP C[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)N2CCOc3ccccc3C2)CC1 ZINC000299766730 258081439 /nfs/dbraw/zinc/08/14/39/258081439.db2.gz KSRQTALEUZSEBV-SFHVURJKSA-N 2 2 343.471 1.966 50 0 EDAALP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000332867282 141242081 /nfs/dbraw/zinc/24/20/81/141242081.db2.gz VZONUFLJLCUVIS-LSDHHAIUSA-N 2 2 335.452 1.267 50 0 EDAALP CCC[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000095422604 276269759 /nfs/dbraw/zinc/26/97/59/276269759.db2.gz NRBCVHRNTQKRPM-OAHLLOKOSA-N 2 2 339.505 1.901 50 0 EDAALP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237408334 297016123 /nfs/dbraw/zinc/01/61/23/297016123.db2.gz IXPPVLUIMWVHBC-LMSBXDPUSA-N 2 2 331.460 1.787 50 0 EDAALP CC(C)[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCOCC1 ZINC000044953622 440924334 /nfs/dbraw/zinc/92/43/34/440924334.db2.gz HBOULGPFIKNJMR-INIZCTEOSA-N 2 2 349.479 1.304 50 0 EDAALP C[C@H]1C[NH+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](C)O1 ZINC000044953768 440925375 /nfs/dbraw/zinc/92/53/75/440925375.db2.gz BROIMODZKMSGPV-KBPBESRZSA-N 2 2 335.452 1.056 50 0 EDAALP O=C(NCCn1cc[nH+]c1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000044966616 440928186 /nfs/dbraw/zinc/92/81/86/440928186.db2.gz UAKFBPWFRUFWNG-UHFFFAOYSA-N 2 2 337.493 1.544 50 0 EDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)c1ccccc1 ZINC000071904004 441191308 /nfs/dbraw/zinc/19/13/08/441191308.db2.gz ZJGYECLFEOVNQX-UHFFFAOYSA-N 2 2 332.492 1.607 50 0 EDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)c1ccccc1 ZINC000071904004 441191312 /nfs/dbraw/zinc/19/13/12/441191312.db2.gz ZJGYECLFEOVNQX-UHFFFAOYSA-N 2 2 332.492 1.607 50 0 EDAALP CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc(CC[NH3+])cc1)C2 ZINC000082166219 441338910 /nfs/dbraw/zinc/33/89/10/441338910.db2.gz 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CNC(=O)C[NH+]1CCC(CN(C)c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000096455788 442137140 /nfs/dbraw/zinc/13/71/40/442137140.db2.gz PTUADRMJNPWPIW-UHFFFAOYSA-N 2 2 344.381 1.995 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@H+](Cc3cc4ccccc4[nH]3)C[C@@H](O)C2)n1 ZINC000097088059 442165678 /nfs/dbraw/zinc/16/56/78/442165678.db2.gz VCPMGEBVDSACFA-OAHLLOKOSA-N 2 2 338.415 1.223 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@@H+](Cc3cc4ccccc4[nH]3)C[C@@H](O)C2)n1 ZINC000097088059 442165681 /nfs/dbraw/zinc/16/56/81/442165681.db2.gz VCPMGEBVDSACFA-OAHLLOKOSA-N 2 2 338.415 1.223 50 0 EDAALP CN(C)c1cc[nH+]cc1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000097376997 442192098 /nfs/dbraw/zinc/19/20/98/442192098.db2.gz OVAMPOUYXYHRIC-UHFFFAOYSA-N 2 2 339.443 1.569 50 0 EDAALP CC[NH+]1CCC(CNc2cc(C3CC(O)C3)[nH+]c(C)n2)([NH+](C)C)CC1 ZINC000223036606 443084270 /nfs/dbraw/zinc/08/42/70/443084270.db2.gz JNYDQJKOKNALSF-UHFFFAOYSA-N 3 2 347.507 1.851 50 0 EDAALP CC[NH+]1CCC(CNc2cc(C3CC(O)C3)nc(C)n2)([NH+](C)C)CC1 ZINC000223036606 443084273 /nfs/dbraw/zinc/08/42/73/443084273.db2.gz JNYDQJKOKNALSF-UHFFFAOYSA-N 2 2 347.507 1.851 50 0 EDAALP C[N@H+](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)Cc1cccnc1 ZINC000670446939 486525748 /nfs/dbraw/zinc/52/57/48/486525748.db2.gz BHZTYIBMTKWIAP-INIZCTEOSA-N 2 2 329.448 1.941 50 0 EDAALP C[N@@H+](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)Cc1cccnc1 ZINC000670446939 486525755 /nfs/dbraw/zinc/52/57/55/486525755.db2.gz BHZTYIBMTKWIAP-INIZCTEOSA-N 2 2 329.448 1.941 50 0 EDAALP CCCc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000011664286 708713286 /nfs/dbraw/zinc/71/32/86/708713286.db2.gz UWMAUNXRHSMMDC-HNNXBMFYSA-N 2 2 333.480 1.651 50 0 EDAALP CCCc1cc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000011664286 708713289 /nfs/dbraw/zinc/71/32/89/708713289.db2.gz UWMAUNXRHSMMDC-HNNXBMFYSA-N 2 2 333.480 1.651 50 0 EDAALP O=C(NCCCn1cc[nH+]c1)[C@H]1[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000102480022 219207448 /nfs/dbraw/zinc/20/74/48/219207448.db2.gz CDIREKAKCABTDS-FVQHAEBGSA-N 2 2 325.416 1.162 50 0 EDAALP O=C(NCCCn1cc[nH+]c1)[C@H]1[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000102480022 219207455 /nfs/dbraw/zinc/20/74/55/219207455.db2.gz CDIREKAKCABTDS-FVQHAEBGSA-N 2 2 325.416 1.162 50 0 EDAALP CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2[nH+]ccn2C)C1=O ZINC000067871693 215236763 /nfs/dbraw/zinc/23/67/63/215236763.db2.gz XAPKFSRAQHQQPH-GOSISDBHSA-N 2 2 347.463 1.647 50 0 EDAALP Cc1nc([C@@H]2CCC[N@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cc(=O)[nH]1 ZINC000072148522 216035700 /nfs/dbraw/zinc/03/57/00/216035700.db2.gz IMYHNHNRVGWTLR-CYBMUJFWSA-N 2 2 328.420 1.170 50 0 EDAALP Cc1nc([C@@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cc(=O)[nH]1 ZINC000072148522 216035704 /nfs/dbraw/zinc/03/57/04/216035704.db2.gz IMYHNHNRVGWTLR-CYBMUJFWSA-N 2 2 328.420 1.170 50 0 EDAALP CCc1nn2c(nc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2=O)s1 ZINC000072162386 216050203 /nfs/dbraw/zinc/05/02/03/216050203.db2.gz YWBHCRRGECNEML-ZDUSSCGKSA-N 2 2 335.477 1.630 50 0 EDAALP CCc1nn2c(nc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2=O)s1 ZINC000072162386 216050206 /nfs/dbraw/zinc/05/02/06/216050206.db2.gz YWBHCRRGECNEML-ZDUSSCGKSA-N 2 2 335.477 1.630 50 0 EDAALP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH+](C)CC2 ZINC000072423821 216213946 /nfs/dbraw/zinc/21/39/46/216213946.db2.gz LGJPWTXYTMMCAN-KRWDZBQOSA-N 3 2 347.507 1.586 50 0 EDAALP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH+](C)CC2 ZINC000072423821 216213949 /nfs/dbraw/zinc/21/39/49/216213949.db2.gz LGJPWTXYTMMCAN-KRWDZBQOSA-N 3 2 347.507 1.586 50 0 EDAALP COc1cccc(C[N@@H+]2CCN(c3cc(N)[nH+]cn3)C[C@@H]2CCO)c1 ZINC000072447902 216237726 /nfs/dbraw/zinc/23/77/26/216237726.db2.gz XNCQPPHRELYVIV-HNNXBMFYSA-N 2 2 343.431 1.141 50 0 EDAALP COc1cccc(C[N@H+]2CCN(c3cc(N)[nH+]cn3)C[C@@H]2CCO)c1 ZINC000072447902 216237730 /nfs/dbraw/zinc/23/77/30/216237730.db2.gz XNCQPPHRELYVIV-HNNXBMFYSA-N 2 2 343.431 1.141 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000072454536 216241962 /nfs/dbraw/zinc/24/19/62/216241962.db2.gz VOUODNJJRMOQGO-INIZCTEOSA-N 2 2 327.432 1.175 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000072454536 216241967 /nfs/dbraw/zinc/24/19/67/216241967.db2.gz VOUODNJJRMOQGO-INIZCTEOSA-N 2 2 327.432 1.175 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000072477191 216255800 /nfs/dbraw/zinc/25/58/00/216255800.db2.gz AXOWBOBTAJLSDI-CYBMUJFWSA-N 2 2 342.451 1.167 50 0 EDAALP COc1c(C)c[nH+]c(CN(C)c2nc(N3CC[C@@H](O)C3)cc[nH+]2)c1C ZINC000216491356 241198904 /nfs/dbraw/zinc/19/89/04/241198904.db2.gz PKDSRGBXBJMOGK-CQSZACIVSA-N 2 2 343.431 1.704 50 0 EDAALP COc1ccc(CCN2C[C@H]([NH2+]Cc3c[nH+]c(C)n3C)CC2=O)cc1 ZINC000012305740 211339875 /nfs/dbraw/zinc/33/98/75/211339875.db2.gz BMBGLMMCFNZMHG-MRXNPFEDSA-N 2 2 342.443 1.670 50 0 EDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000091475899 218012299 /nfs/dbraw/zinc/01/22/99/218012299.db2.gz IIHGGELHUVOQAK-MRXNPFEDSA-N 2 2 334.464 1.768 50 0 EDAALP CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CO 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JARUMEMTFKAUOJ-ZDUSSCGKSA-N 2 2 329.514 1.765 50 0 EDAALP CCCc1nc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc(C)[nH+]1 ZINC000107413139 441415580 /nfs/dbraw/zinc/41/55/80/441415580.db2.gz JTFLLCOIXPEPCG-GOSISDBHSA-N 2 2 331.464 1.528 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000065403974 441426361 /nfs/dbraw/zinc/42/63/61/441426361.db2.gz UQBSUZXDZBSRQJ-AWEZNQCLSA-N 2 2 333.461 1.861 50 0 EDAALP CCOc1ccc(CC(=O)N2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000075158014 441505452 /nfs/dbraw/zinc/50/54/52/441505452.db2.gz VJQSJHNHKBYTLQ-UHFFFAOYSA-N 2 2 342.443 1.669 50 0 EDAALP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n(C)n1 ZINC000090003438 441611359 /nfs/dbraw/zinc/61/13/59/441611359.db2.gz BXHQSKLAAZPVOV-AWEZNQCLSA-N 2 2 330.436 1.355 50 0 EDAALP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n(C)n1 ZINC000090003438 441611365 /nfs/dbraw/zinc/61/13/65/441611365.db2.gz BXHQSKLAAZPVOV-AWEZNQCLSA-N 2 2 330.436 1.355 50 0 EDAALP CN(C)c1nc2c(c(N3CCC[C@H](Cn4cc[nH+]c4)C3)n1)CC[NH2+]C2 ZINC000067846673 441687425 /nfs/dbraw/zinc/68/74/25/441687425.db2.gz LTXFCOVJRFKUFE-CQSZACIVSA-N 2 2 341.463 1.301 50 0 EDAALP OC[C@@H]1COCC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000077564448 441806256 /nfs/dbraw/zinc/80/62/56/441806256.db2.gz WHLJYJKIFNMUCK-QGZVFWFLSA-N 2 2 331.416 1.403 50 0 EDAALP OC[C@@H]1COCC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000077564448 441806262 /nfs/dbraw/zinc/80/62/62/441806262.db2.gz WHLJYJKIFNMUCK-QGZVFWFLSA-N 2 2 331.416 1.403 50 0 EDAALP CC(C)c1nnsc1C[NH+]1CCC(c2[nH+]ccn2CC(N)=O)CC1 ZINC000095517517 441945527 /nfs/dbraw/zinc/94/55/27/441945527.db2.gz AFARDPPQQCZDIH-UHFFFAOYSA-N 2 2 348.476 1.723 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000069628821 441995792 /nfs/dbraw/zinc/99/57/92/441995792.db2.gz LNUUACOLXLYYLI-BZUAXINKSA-N 2 2 338.496 1.412 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000069628821 441995794 /nfs/dbraw/zinc/99/57/94/441995794.db2.gz LNUUACOLXLYYLI-BZUAXINKSA-N 2 2 338.496 1.412 50 0 EDAALP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000096437738 442131348 /nfs/dbraw/zinc/13/13/48/442131348.db2.gz JVVJOVKURLUBSZ-INIZCTEOSA-N 2 2 342.447 1.893 50 0 EDAALP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000156553027 442494429 /nfs/dbraw/zinc/49/44/29/442494429.db2.gz XFXWGNDAGPAJNB-QAPCUYQASA-N 2 2 331.460 1.718 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000246987409 442826078 /nfs/dbraw/zinc/82/60/78/442826078.db2.gz ATWACOBIRPXFNZ-SJORKVTESA-N 2 2 347.507 1.726 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000246987409 442826082 /nfs/dbraw/zinc/82/60/82/442826082.db2.gz ATWACOBIRPXFNZ-SJORKVTESA-N 2 2 347.507 1.726 50 0 EDAALP COc1ccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c(OC)c1 ZINC000219738099 443060189 /nfs/dbraw/zinc/06/01/89/443060189.db2.gz CCHYSMZWJXGGOJ-UHFFFAOYSA-N 2 2 329.404 1.893 50 0 EDAALP Cc1ccc(C[NH+]2CCC([N@H+]3C[C@H](O)C[C@H]3C(=O)N(C)C)CC2)o1 ZINC000257176942 443118051 /nfs/dbraw/zinc/11/80/51/443118051.db2.gz VDZSVXMAYZDIFS-WBVHZDCISA-N 2 2 335.448 1.076 50 0 EDAALP Cc1ccc(C[NH+]2CCC([N@@H+]3C[C@H](O)C[C@H]3C(=O)N(C)C)CC2)o1 ZINC000257176942 443118053 /nfs/dbraw/zinc/11/80/53/443118053.db2.gz VDZSVXMAYZDIFS-WBVHZDCISA-N 2 2 335.448 1.076 50 0 EDAALP Cc1cccc(NC[C@@H]2CCN(c3nc4c(cnn4C)c(N)[nH+]3)C2)[nH+]1 ZINC000276148495 443655070 /nfs/dbraw/zinc/65/50/70/443655070.db2.gz ISBXCMRZSFXAOH-LBPRGKRZSA-N 2 2 338.419 1.587 50 0 EDAALP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653161502 453354514 /nfs/dbraw/zinc/35/45/14/453354514.db2.gz QGFXGUMATHTNGO-OWCLPIDISA-N 2 2 329.448 1.040 50 0 EDAALP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653161502 453354518 /nfs/dbraw/zinc/35/45/18/453354518.db2.gz QGFXGUMATHTNGO-OWCLPIDISA-N 2 2 329.448 1.040 50 0 EDAALP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@](CO)(C[NH+](C)C)C2)c1 ZINC000215783150 536061237 /nfs/dbraw/zinc/06/12/37/536061237.db2.gz ARQCUGLYHMSRRZ-KRWDZBQOSA-N 3 2 325.522 1.946 50 0 EDAALP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@](CO)(C[NH+](C)C)C2)c1 ZINC000215783150 536061240 /nfs/dbraw/zinc/06/12/40/536061240.db2.gz ARQCUGLYHMSRRZ-KRWDZBQOSA-N 3 2 325.522 1.946 50 0 EDAALP CC(=O)N1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051154556 214080841 /nfs/dbraw/zinc/08/08/41/214080841.db2.gz PHOPGWHOBDNJAP-KRWDZBQOSA-N 2 2 344.459 1.568 50 0 EDAALP CC(=O)N1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051154556 214080844 /nfs/dbraw/zinc/08/08/44/214080844.db2.gz PHOPGWHOBDNJAP-KRWDZBQOSA-N 2 2 344.459 1.568 50 0 EDAALP CS(=O)(=O)N1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000067772754 215208687 /nfs/dbraw/zinc/20/86/87/215208687.db2.gz FJIWWPLJVYKWKM-QGZVFWFLSA-N 2 2 348.472 1.638 50 0 EDAALP Cc1cc2c(c(-c3cc(N4CCCC4)nc(N)[nH+]3)c1)O[C@H](C[NH3+])C2 ZINC000067841470 215226893 /nfs/dbraw/zinc/22/68/93/215226893.db2.gz XXKHSVIORHMGHB-ZDUSSCGKSA-N 2 2 325.416 1.897 50 0 EDAALP C[NH2+]CC[NH2+]C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067982319 215267330 /nfs/dbraw/zinc/26/73/30/215267330.db2.gz MLJFPBUUIMLMBL-LJQANCHMSA-N 2 2 333.476 1.473 50 0 EDAALP O=C1CCCN1CCC1CC[NH+](Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072165010 216054159 /nfs/dbraw/zinc/05/41/59/216054159.db2.gz HFIZOUBVINRLQA-UHFFFAOYSA-N 2 2 331.464 1.211 50 0 EDAALP Nc1nc(NCC[C@@H]2COc3ccccc3O2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072425232 216215283 /nfs/dbraw/zinc/21/52/83/216215283.db2.gz YELQKBASNCUIGP-GFCCVEGCSA-N 2 2 341.415 1.389 50 0 EDAALP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215293039 241117878 /nfs/dbraw/zinc/11/78/78/241117878.db2.gz DHNPMRJGXVRDME-OYRHEFFESA-N 3 2 342.531 1.702 50 0 EDAALP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215293039 241117881 /nfs/dbraw/zinc/11/78/81/241117881.db2.gz DHNPMRJGXVRDME-OYRHEFFESA-N 3 2 342.531 1.702 50 0 EDAALP Nc1[nH+]cccc1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000244707943 243062712 /nfs/dbraw/zinc/06/27/12/243062712.db2.gz KKPPHCJLTFZDLO-KRWDZBQOSA-N 2 2 340.427 1.571 50 0 EDAALP Nc1[nH+]cccc1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000244707943 243062718 /nfs/dbraw/zinc/06/27/18/243062718.db2.gz KKPPHCJLTFZDLO-KRWDZBQOSA-N 2 2 340.427 1.571 50 0 EDAALP C[N@H+](CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000244673893 243054419 /nfs/dbraw/zinc/05/44/19/243054419.db2.gz HXOWPGUMRKNCSK-IRXDYDNUSA-N 2 2 335.423 1.237 50 0 EDAALP C[N@@H+](CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000244673893 243054425 /nfs/dbraw/zinc/05/44/25/243054425.db2.gz HXOWPGUMRKNCSK-IRXDYDNUSA-N 2 2 335.423 1.237 50 0 EDAALP CCc1nc(C)c(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000020209856 212111720 /nfs/dbraw/zinc/11/17/20/212111720.db2.gz VDXOTHQXPBMSAT-CQSZACIVSA-N 2 2 334.464 1.834 50 0 EDAALP CCc1nc(C)c(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000020209856 212111722 /nfs/dbraw/zinc/11/17/22/212111722.db2.gz VDXOTHQXPBMSAT-CQSZACIVSA-N 2 2 334.464 1.834 50 0 EDAALP Cc1ccc(C[NH+]2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000020102880 212100540 /nfs/dbraw/zinc/10/05/40/212100540.db2.gz PLDBJZRAYYNDEN-UHFFFAOYSA-N 2 2 345.487 1.655 50 0 EDAALP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000011819365 211252515 /nfs/dbraw/zinc/25/25/15/211252515.db2.gz CFBDIXVBIAXQNA-INIZCTEOSA-N 3 2 333.480 1.114 50 0 EDAALP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000011819365 211252519 /nfs/dbraw/zinc/25/25/19/211252519.db2.gz CFBDIXVBIAXQNA-INIZCTEOSA-N 3 2 333.480 1.114 50 0 EDAALP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](n4cccn4)C3)cn2)CC1 ZINC000092967907 218183669 /nfs/dbraw/zinc/18/36/69/218183669.db2.gz UAUYDIUIQDDXOX-KRWDZBQOSA-N 2 2 341.463 1.262 50 0 EDAALP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](n4cccn4)C3)cn2)CC1 ZINC000092967907 218183672 /nfs/dbraw/zinc/18/36/72/218183672.db2.gz UAUYDIUIQDDXOX-KRWDZBQOSA-N 2 2 341.463 1.262 50 0 EDAALP COc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000095421499 218363315 /nfs/dbraw/zinc/36/33/15/218363315.db2.gz NSCIKMRAESRMMW-FQEVSTJZSA-N 3 2 346.519 1.668 50 0 EDAALP O=C(C[N@H+](CCO)CC1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000064516267 258062361 /nfs/dbraw/zinc/06/23/61/258062361.db2.gz VYIUGXRYPVPGIM-UHFFFAOYSA-N 2 2 337.489 1.097 50 0 EDAALP O=C(C[N@@H+](CCO)CC1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000064516267 258062362 /nfs/dbraw/zinc/06/23/62/258062362.db2.gz VYIUGXRYPVPGIM-UHFFFAOYSA-N 2 2 337.489 1.097 50 0 EDAALP Cc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000299760285 258077048 /nfs/dbraw/zinc/07/70/48/258077048.db2.gz PMIGKBUNQKPJBP-CQSZACIVSA-N 2 2 330.436 1.221 50 0 EDAALP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000333662617 141352349 /nfs/dbraw/zinc/35/23/49/141352349.db2.gz WQZKMYQHYKBOSW-RHSMWYFYSA-N 2 2 331.464 1.621 50 0 EDAALP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000333662617 141352351 /nfs/dbraw/zinc/35/23/51/141352351.db2.gz WQZKMYQHYKBOSW-RHSMWYFYSA-N 2 2 331.464 1.621 50 0 EDAALP O=C(NCC[NH+]1CCCCC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045209607 440963313 /nfs/dbraw/zinc/96/33/13/440963313.db2.gz VRDWDYBLVKCMFP-UHFFFAOYSA-N 2 2 347.463 1.203 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000044951652 440922568 /nfs/dbraw/zinc/92/25/68/440922568.db2.gz QBXZPSLAFYFEET-INIZCTEOSA-N 2 2 349.479 1.304 50 0 EDAALP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000044951652 440922575 /nfs/dbraw/zinc/92/25/75/440922575.db2.gz QBXZPSLAFYFEET-INIZCTEOSA-N 2 2 349.479 1.304 50 0 EDAALP Cc1cc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)no1 ZINC000058439154 441195639 /nfs/dbraw/zinc/19/56/39/441195639.db2.gz NVPZMURCFMXVDW-UHFFFAOYSA-N 2 2 336.436 1.356 50 0 EDAALP C[NH+]1CCC([N@H+](CCc2ccccc2)CC(=O)N2CCOCC2)CC1 ZINC000072147763 441205018 /nfs/dbraw/zinc/20/50/18/441205018.db2.gz GDHSZHHQYSSXEP-UHFFFAOYSA-N 2 2 345.487 1.484 50 0 EDAALP C[NH+]1CCC([N@@H+](CCc2ccccc2)CC(=O)N2CCOCC2)CC1 ZINC000072147763 441205022 /nfs/dbraw/zinc/20/50/22/441205022.db2.gz GDHSZHHQYSSXEP-UHFFFAOYSA-N 2 2 345.487 1.484 50 0 EDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000082120962 441335348 /nfs/dbraw/zinc/33/53/48/441335348.db2.gz ABPHPAZGJHSWRA-UHFFFAOYSA-N 2 2 343.479 1.997 50 0 EDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000082120962 441335352 /nfs/dbraw/zinc/33/53/52/441335352.db2.gz ABPHPAZGJHSWRA-UHFFFAOYSA-N 2 2 343.479 1.997 50 0 EDAALP Cc1cc(C[NH+]2CCCN(c3ncnc4c3C[N@H+](C)CC4)CC2)no1 ZINC000065487661 441443103 /nfs/dbraw/zinc/44/31/03/441443103.db2.gz LSNNWTJFCBFJMI-UHFFFAOYSA-N 2 2 342.447 1.473 50 0 EDAALP Cc1cc(C[NH+]2CCCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)no1 ZINC000065487661 441443106 /nfs/dbraw/zinc/44/31/06/441443106.db2.gz LSNNWTJFCBFJMI-UHFFFAOYSA-N 2 2 342.447 1.473 50 0 EDAALP Cc1cc(C[N@H+]2CCCN(c3ncnc4c3C[NH+](C)CC4)CC2)no1 ZINC000065487661 441443110 /nfs/dbraw/zinc/44/31/10/441443110.db2.gz LSNNWTJFCBFJMI-UHFFFAOYSA-N 2 2 342.447 1.473 50 0 EDAALP Cc1cc(C[N@@H+]2CCCN(c3ncnc4c3C[NH+](C)CC4)CC2)no1 ZINC000065487661 441443114 /nfs/dbraw/zinc/44/31/14/441443114.db2.gz LSNNWTJFCBFJMI-UHFFFAOYSA-N 2 2 342.447 1.473 50 0 EDAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000065495358 441445503 /nfs/dbraw/zinc/44/55/03/441445503.db2.gz LKGYFUMXVPSHLM-HNNXBMFYSA-N 2 2 344.459 1.826 50 0 EDAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000065495358 441445506 /nfs/dbraw/zinc/44/55/06/441445506.db2.gz LKGYFUMXVPSHLM-HNNXBMFYSA-N 2 2 344.459 1.826 50 0 EDAALP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cn1 ZINC000075129501 441499900 /nfs/dbraw/zinc/49/99/00/441499900.db2.gz AJKKJMCASGPYNI-MRXNPFEDSA-N 2 2 344.463 1.956 50 0 EDAALP CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cn1 ZINC000075129501 441499905 /nfs/dbraw/zinc/49/99/05/441499905.db2.gz AJKKJMCASGPYNI-MRXNPFEDSA-N 2 2 344.463 1.956 50 0 EDAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000090003520 441611148 /nfs/dbraw/zinc/61/11/48/441611148.db2.gz WKAJFDXPTVITKH-OAHLLOKOSA-N 2 2 340.431 1.184 50 0 EDAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000090003520 441611155 /nfs/dbraw/zinc/61/11/55/441611155.db2.gz WKAJFDXPTVITKH-OAHLLOKOSA-N 2 2 340.431 1.184 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cc[nH+]c(N(C)C)c2)C1 ZINC000089840201 441585418 /nfs/dbraw/zinc/58/54/18/441585418.db2.gz QTMDOKFYOOQMKX-MRXNPFEDSA-N 2 2 349.479 1.304 50 0 EDAALP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cc[nH+]c(N(C)C)c2)C1 ZINC000089840201 441585421 /nfs/dbraw/zinc/58/54/21/441585421.db2.gz QTMDOKFYOOQMKX-MRXNPFEDSA-N 2 2 349.479 1.304 50 0 EDAALP C[NH+](C)CC(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091364753 441696323 /nfs/dbraw/zinc/69/63/23/441696323.db2.gz HKPMLADEOJUGLK-UHFFFAOYSA-N 2 2 327.432 1.594 50 0 EDAALP COCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2F)[NH+](C)C)CC1 ZINC000091831022 441747098 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0 EDAALP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069533322 441968832 /nfs/dbraw/zinc/96/88/32/441968832.db2.gz BVNWPAKSCARTNC-ZDUSSCGKSA-N 2 2 327.432 1.742 50 0 EDAALP C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069533322 441968839 /nfs/dbraw/zinc/96/88/39/441968839.db2.gz BVNWPAKSCARTNC-ZDUSSCGKSA-N 2 2 327.432 1.742 50 0 EDAALP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000069901547 442072168 /nfs/dbraw/zinc/07/21/68/442072168.db2.gz IDGODAUJJKLRRQ-MRXNPFEDSA-N 2 2 333.480 1.329 50 0 EDAALP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000069901547 442072171 /nfs/dbraw/zinc/07/21/71/442072171.db2.gz IDGODAUJJKLRRQ-MRXNPFEDSA-N 2 2 333.480 1.329 50 0 EDAALP O=C1[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C(=O)N1c1ccccc1 ZINC000097370614 442191962 /nfs/dbraw/zinc/19/19/62/442191962.db2.gz VJOXIIDXABCSDS-OAHLLOKOSA-N 2 2 325.372 1.036 50 0 EDAALP O=C1[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C(=O)N1c1ccccc1 ZINC000097370614 442191965 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EDAALP [NH3+][C@H]1CCN(C(=O)c2cc3n(n2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000067458397 215148544 /nfs/dbraw/zinc/14/85/44/215148544.db2.gz ZPWFCTDFNNSORO-INIZCTEOSA-N 2 2 339.443 1.462 50 0 EDAALP CC(C)c1nn(C)c(Cl)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000071837117 215868567 /nfs/dbraw/zinc/86/85/67/215868567.db2.gz MIDDGGDUGGYTFB-UHFFFAOYSA-N 2 2 327.860 1.061 50 0 EDAALP Nc1nc(NC[C@@H]2CCN(c3ccccc3)C2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072433439 216228319 /nfs/dbraw/zinc/22/83/19/216228319.db2.gz LCTRENBHTJEMDB-AWEZNQCLSA-N 2 2 338.459 1.685 50 0 EDAALP O=C1CC[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072477162 216255570 /nfs/dbraw/zinc/25/55/70/216255570.db2.gz NJJJEBYENNMDPG-FUHWJXTLSA-N 2 2 346.475 1.765 50 0 EDAALP O=C1CC[C@H]2C[N@H+](C3CCOCC3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072477162 216255574 /nfs/dbraw/zinc/25/55/74/216255574.db2.gz NJJJEBYENNMDPG-FUHWJXTLSA-N 2 2 346.475 1.765 50 0 EDAALP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC[NH+]1CCCC1 ZINC000216213493 241174867 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50 0 EDAALP Cc1cc(C)c2[nH]c(C[N@H+]3CC[C@](O)(C[NH+](C)C)C3)cc(=O)c2c1 ZINC000091895955 218085640 /nfs/dbraw/zinc/08/56/40/218085640.db2.gz MDAQSKONVNWXPX-IBGZPJMESA-N 2 2 329.444 1.643 50 0 EDAALP Cc1cc(C)c2[nH]c(C[N@@H+]3CC[C@](O)(C[NH+](C)C)C3)cc(=O)c2c1 ZINC000091895955 218085643 /nfs/dbraw/zinc/08/56/43/218085643.db2.gz MDAQSKONVNWXPX-IBGZPJMESA-N 2 2 329.444 1.643 50 0 EDAALP CC[N@@H+]1CCC[C@@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000046087448 441080288 /nfs/dbraw/zinc/08/02/88/441080288.db2.gz WUAWNWJGFZCYBH-IBGZPJMESA-N 2 2 335.467 1.790 50 0 EDAALP CC[N@H+]1CCC[C@@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000046087448 441080291 /nfs/dbraw/zinc/08/02/91/441080291.db2.gz WUAWNWJGFZCYBH-IBGZPJMESA-N 2 2 335.467 1.790 50 0 EDAALP Cc1cc(N(C)C)nc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[nH+]1 ZINC000069952168 441096980 /nfs/dbraw/zinc/09/69/80/441096980.db2.gz SEGIDQODZJIDPO-QGZVFWFLSA-N 2 2 341.459 1.707 50 0 EDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000058354788 441184856 /nfs/dbraw/zinc/18/48/56/441184856.db2.gz RMMWPBVPZJXRRN-INIZCTEOSA-N 2 2 342.443 1.668 50 0 EDAALP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000072278668 441217601 /nfs/dbraw/zinc/21/76/01/441217601.db2.gz IJQIMZIUCVYFDV-AWEZNQCLSA-N 2 2 328.416 1.568 50 0 EDAALP Cc1cc(N2CC[NH+](C)CC2)n2nc(C[N@H+]3CCC[C@@H](C)C3)nc2n1 ZINC000065311635 441416074 /nfs/dbraw/zinc/41/60/74/441416074.db2.gz JZMAFVBZRXMUPR-CQSZACIVSA-N 2 2 343.479 1.416 50 0 EDAALP Cc1cc(N2CC[NH+](C)CC2)n2nc(C[N@@H+]3CCC[C@@H](C)C3)nc2n1 ZINC000065311635 441416078 /nfs/dbraw/zinc/41/60/78/441416078.db2.gz JZMAFVBZRXMUPR-CQSZACIVSA-N 2 2 343.479 1.416 50 0 EDAALP O=c1ccc(=O)n(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000065375506 441421069 /nfs/dbraw/zinc/42/10/69/441421069.db2.gz XAPYZELFIPGKKV-UHFFFAOYSA-N 2 2 328.416 1.203 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000065449303 441436224 /nfs/dbraw/zinc/43/62/24/441436224.db2.gz GJALGIHYRFOXEE-HNNXBMFYSA-N 2 2 328.420 1.194 50 0 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NC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1COc1cc[nH+]cc1 ZINC000257189376 443120458 /nfs/dbraw/zinc/12/04/58/443120458.db2.gz NSYCPSKDJMDQAX-DZGCQCFKSA-N 2 2 347.365 1.972 50 0 EDAALP NC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1COc1cc[nH+]cc1 ZINC000257189376 443120461 /nfs/dbraw/zinc/12/04/61/443120461.db2.gz NSYCPSKDJMDQAX-DZGCQCFKSA-N 2 2 347.365 1.972 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000229750883 443130542 /nfs/dbraw/zinc/13/05/42/443130542.db2.gz APOPXUQZADLRDQ-IRXDYDNUSA-N 2 2 340.427 1.215 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000229750883 443130546 /nfs/dbraw/zinc/13/05/46/443130546.db2.gz APOPXUQZADLRDQ-IRXDYDNUSA-N 2 2 340.427 1.215 50 0 EDAALP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000237504593 443174574 /nfs/dbraw/zinc/17/45/74/443174574.db2.gz BMIZEZBNEAOXAV-WMZOPIPTSA-N 2 2 331.460 1.345 50 0 EDAALP O[C@H](C[N@@H+]1CCC[C@H]1Cn1cncn1)C[NH+]1CCc2ccccc2C1 ZINC000257365032 443158405 /nfs/dbraw/zinc/15/84/05/443158405.db2.gz OLAYLFAWINRZBO-OALUTQOASA-N 2 2 341.459 1.162 50 0 EDAALP O[C@H](C[N@H+]1CCC[C@H]1Cn1cncn1)C[NH+]1CCc2ccccc2C1 ZINC000257365032 443158411 /nfs/dbraw/zinc/15/84/11/443158411.db2.gz OLAYLFAWINRZBO-OALUTQOASA-N 2 2 341.459 1.162 50 0 EDAALP O[C@H](C[NH+]1CCC[C@H]1Cn1cncn1)C[N@@H+]1CCc2ccccc2C1 ZINC000257365032 443158413 /nfs/dbraw/zinc/15/84/13/443158413.db2.gz OLAYLFAWINRZBO-OALUTQOASA-N 2 2 341.459 1.162 50 0 EDAALP O[C@H](C[NH+]1CCC[C@H]1Cn1cncn1)C[N@H+]1CCc2ccccc2C1 ZINC000257365032 443158419 /nfs/dbraw/zinc/15/84/19/443158419.db2.gz OLAYLFAWINRZBO-OALUTQOASA-N 2 2 341.459 1.162 50 0 EDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237166483 443161942 /nfs/dbraw/zinc/16/19/42/443161942.db2.gz LHSVQMYAZKPTTB-WBVHZDCISA-N 2 2 331.460 1.857 50 0 EDAALP CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)C2)CC1 ZINC000218856408 536414083 /nfs/dbraw/zinc/41/40/83/536414083.db2.gz NZDSUNZANDKZDY-INIZCTEOSA-N 2 2 341.459 1.434 50 0 EDAALP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCC1=CSC2=[NH+]CCCN12 ZINC000102826702 219234151 /nfs/dbraw/zinc/23/41/51/219234151.db2.gz HPPFLSVFCWSCPD-CYBMUJFWSA-N 2 2 334.449 1.183 50 0 EDAALP Nc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)nc(NCc2ccccc2)[nH+]1 ZINC000067605956 215168937 /nfs/dbraw/zinc/16/89/37/215168937.db2.gz KBGONLLWNVRUQW-GOSISDBHSA-N 2 2 339.447 1.646 50 0 EDAALP Nc1nc(NCc2ccccc2)nc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC000067605956 215168938 /nfs/dbraw/zinc/16/89/38/215168938.db2.gz KBGONLLWNVRUQW-GOSISDBHSA-N 2 2 339.447 1.646 50 0 EDAALP Nc1nc(NCc2ccccc2)[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000067605956 215168940 /nfs/dbraw/zinc/16/89/40/215168940.db2.gz KBGONLLWNVRUQW-GOSISDBHSA-N 2 2 339.447 1.646 50 0 EDAALP Nc1nc(NCCOc2ccc(Cl)cc2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072428752 216221084 /nfs/dbraw/zinc/22/10/84/216221084.db2.gz HCWGJYBVNSJRGD-UHFFFAOYSA-N 2 2 333.823 1.891 50 0 EDAALP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1CCO ZINC000072432173 216225675 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C[C@H](O)CNC(=O)N[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050135251 290119178 /nfs/dbraw/zinc/11/91/78/290119178.db2.gz MUABRXSOARIXMC-YJBOKZPZSA-N 2 2 348.491 1.434 50 0 EDAALP C[C@H](O)CNC(=O)N[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050135251 290119182 /nfs/dbraw/zinc/11/91/82/290119182.db2.gz MUABRXSOARIXMC-YJBOKZPZSA-N 2 2 348.491 1.434 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426382736 447429916 /nfs/dbraw/zinc/42/99/16/447429916.db2.gz OARDTUMLKBNEAV-OAHLLOKOSA-N 2 2 344.463 1.522 50 0 EDAALP CN(C)c1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000058248300 441166146 /nfs/dbraw/zinc/16/61/46/441166146.db2.gz DIKFBYNMHFFBFX-INIZCTEOSA-N 2 2 347.463 1.154 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000071876639 441179756 /nfs/dbraw/zinc/17/97/56/441179756.db2.gz ATWACOBIRPXFNZ-DLBZAZTESA-N 2 2 347.507 1.726 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000071876639 441179757 /nfs/dbraw/zinc/17/97/57/441179757.db2.gz ATWACOBIRPXFNZ-DLBZAZTESA-N 2 2 347.507 1.726 50 0 EDAALP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H](C)n1cccn1 ZINC000072269895 441214695 /nfs/dbraw/zinc/21/46/95/441214695.db2.gz SYMGGIRTUUNZCJ-BXWFABGCSA-N 2 2 328.460 1.841 50 0 EDAALP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@H](C)n1cccn1 ZINC000072269895 441214699 /nfs/dbraw/zinc/21/46/99/441214699.db2.gz SYMGGIRTUUNZCJ-BXWFABGCSA-N 2 2 328.460 1.841 50 0 EDAALP CC[N@@H+]1CCO[C@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000073941160 441371344 /nfs/dbraw/zinc/37/13/44/441371344.db2.gz XTJYCCYPTPSFFV-INIZCTEOSA-N 2 2 328.416 1.484 50 0 EDAALP CC[N@H+]1CCO[C@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000073941160 441371347 /nfs/dbraw/zinc/37/13/47/441371347.db2.gz XTJYCCYPTPSFFV-INIZCTEOSA-N 2 2 328.416 1.484 50 0 EDAALP Cc1nc(C2=CC[N@H+](CC(=O)NCC[NH+]3CCCCC3)CC2)no1 ZINC000065173591 441406072 /nfs/dbraw/zinc/40/60/72/441406072.db2.gz QNDGXYMIRJNIFW-UHFFFAOYSA-N 2 2 333.436 1.069 50 0 EDAALP Cc1nc(C2=CC[N@@H+](CC(=O)NCC[NH+]3CCCCC3)CC2)no1 ZINC000065173591 441406073 /nfs/dbraw/zinc/40/60/73/441406073.db2.gz QNDGXYMIRJNIFW-UHFFFAOYSA-N 2 2 333.436 1.069 50 0 EDAALP C[N@@H+]1CCc2ncnc(N3CC[NH+](Cc4cccs4)CC3)c2C1 ZINC000065535309 441453951 /nfs/dbraw/zinc/45/39/51/441453951.db2.gz CSTUQEQAAYPJSC-UHFFFAOYSA-N 2 2 329.473 1.848 50 0 EDAALP C[N@H+]1CCc2ncnc(N3CC[NH+](Cc4cccs4)CC3)c2C1 ZINC000065535309 441453956 /nfs/dbraw/zinc/45/39/56/441453956.db2.gz CSTUQEQAAYPJSC-UHFFFAOYSA-N 2 2 329.473 1.848 50 0 EDAALP CC[NH+]1CCN(c2[nH]c3cn(Cc4ccc(C)o4)c(=O)c-3c[nH+]2)CC1 ZINC000041121704 441633064 /nfs/dbraw/zinc/63/30/64/441633064.db2.gz VIZRNLDRAHADEC-UHFFFAOYSA-N 2 2 341.415 1.676 50 0 EDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077285438 441748104 /nfs/dbraw/zinc/74/81/04/441748104.db2.gz WTVHQYFVERCSRA-UHFFFAOYSA-N 2 2 341.459 1.965 50 0 EDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077285438 441748108 /nfs/dbraw/zinc/74/81/08/441748108.db2.gz WTVHQYFVERCSRA-UHFFFAOYSA-N 2 2 341.459 1.965 50 0 EDAALP O=C(C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1)N1CC[NH2+]CC1 ZINC000077375073 441766423 /nfs/dbraw/zinc/76/64/23/441766423.db2.gz SMJSUMNSJZBLLM-OAHLLOKOSA-N 2 2 341.415 1.305 50 0 EDAALP O=C(C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1)N1CC[NH2+]CC1 ZINC000077375073 441766434 /nfs/dbraw/zinc/76/64/34/441766434.db2.gz SMJSUMNSJZBLLM-OAHLLOKOSA-N 2 2 341.415 1.305 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000095498743 441937031 /nfs/dbraw/zinc/93/70/31/441937031.db2.gz NXIXETUGRPKULO-AWEZNQCLSA-N 3 2 329.452 1.591 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2cc(N)nc[nH+]2)C1 ZINC000095498743 441937036 /nfs/dbraw/zinc/93/70/36/441937036.db2.gz NXIXETUGRPKULO-AWEZNQCLSA-N 3 2 329.452 1.591 50 0 EDAALP C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000069923410 442075381 /nfs/dbraw/zinc/07/53/81/442075381.db2.gz RMTJQEBCUSRENE-DOTOQJQBSA-N 2 2 328.416 1.322 50 0 EDAALP Cc1nc(N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000097136632 442172556 /nfs/dbraw/zinc/17/25/56/442172556.db2.gz FVZDDZHSWLMQIE-OAHLLOKOSA-N 2 2 344.463 1.101 50 0 EDAALP Cc1nc(N2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000097136632 442172561 /nfs/dbraw/zinc/17/25/61/442172561.db2.gz FVZDDZHSWLMQIE-OAHLLOKOSA-N 2 2 344.463 1.101 50 0 EDAALP C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000156957373 442536773 /nfs/dbraw/zinc/53/67/73/442536773.db2.gz CXBMKDSBCLFHIJ-YJBOKZPZSA-N 2 2 331.460 1.718 50 0 EDAALP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000252486307 443029825 /nfs/dbraw/zinc/02/98/25/443029825.db2.gz IBKYVEJZYBSDGS-OWCLPIDISA-N 2 2 332.510 1.025 50 0 EDAALP C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000223236688 443086016 /nfs/dbraw/zinc/08/60/16/443086016.db2.gz WYLRHUSXNJDYPG-BVPBIZIASA-N 2 2 335.423 1.091 50 0 EDAALP C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000223236688 443086022 /nfs/dbraw/zinc/08/60/22/443086022.db2.gz WYLRHUSXNJDYPG-BVPBIZIASA-N 2 2 335.423 1.091 50 0 EDAALP Nc1nc(NCc2nnc3n2CCCCC3)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223411199 443090358 /nfs/dbraw/zinc/09/03/58/443090358.db2.gz KIJGRIYRRMNAFH-UHFFFAOYSA-N 2 2 328.424 1.194 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)Cc1ccccc1O2 ZINC000257187582 443119818 /nfs/dbraw/zinc/11/98/18/443119818.db2.gz LXIPBWVJYDCJSL-UHFFFAOYSA-N 2 2 340.427 1.769 50 0 EDAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020102922 202031678 /nfs/dbraw/zinc/03/16/78/202031678.db2.gz STXIMFWTEZVGLA-UHFFFAOYSA-N 2 2 349.450 1.486 50 0 EDAALP CSc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c1 ZINC000023358164 202103799 /nfs/dbraw/zinc/10/37/99/202103799.db2.gz CULDQKWGXKNELC-QZTJIDSGSA-N 2 2 335.517 1.591 50 0 EDAALP CSc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c1 ZINC000023358164 202103802 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EDAALP C[N@H+](Cc1ccccc1OCCCn1cc[nH+]c1)[C@H]1COC[C@@H]1O ZINC000215462749 241126797 /nfs/dbraw/zinc/12/67/97/241126797.db2.gz FUTVHGQRGVRWRL-IRXDYDNUSA-N 2 2 331.416 1.544 50 0 EDAALP C[N@@H+](Cc1ccccc1OCCCn1cc[nH+]c1)[C@H]1COC[C@@H]1O ZINC000215462749 241126802 /nfs/dbraw/zinc/12/68/02/241126802.db2.gz FUTVHGQRGVRWRL-IRXDYDNUSA-N 2 2 331.416 1.544 50 0 EDAALP Cc1nc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc[nH+]1 ZINC000230147063 242239717 /nfs/dbraw/zinc/23/97/17/242239717.db2.gz LUDCQWORZOCDOT-LJQANCHMSA-N 2 2 343.475 1.698 50 0 EDAALP Cc1nc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc[nH+]1 ZINC000230147063 242239722 /nfs/dbraw/zinc/23/97/22/242239722.db2.gz LUDCQWORZOCDOT-LJQANCHMSA-N 2 2 343.475 1.698 50 0 EDAALP CC(C)c1nc(N(C)C)nc(NC2CCN(c3[nH+]ccn3C)CC2)[nH+]1 ZINC000242047869 243010279 /nfs/dbraw/zinc/01/02/79/243010279.db2.gz VQSKZNYQDZVXHK-UHFFFAOYSA-N 2 2 344.467 1.875 50 0 EDAALP C[N@H+](CC(=O)N1CC[NH+](C2CCSCC2)CC1)Cc1ccncc1 ZINC000244874320 243093162 /nfs/dbraw/zinc/09/31/62/243093162.db2.gz WZJQWWFUVQOUET-UHFFFAOYSA-N 2 2 348.516 1.553 50 0 EDAALP C[N@@H+](CC(=O)N1CC[NH+](C2CCSCC2)CC1)Cc1ccncc1 ZINC000244874320 243093167 /nfs/dbraw/zinc/09/31/67/243093167.db2.gz WZJQWWFUVQOUET-UHFFFAOYSA-N 2 2 348.516 1.553 50 0 EDAALP Cc1n[nH]c(C)c1CCCN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244882434 243095954 /nfs/dbraw/zinc/09/59/54/243095954.db2.gz XROCOYWMNNICKE-BETUJISGSA-N 2 2 329.452 1.672 50 0 EDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000069927870 203064072 /nfs/dbraw/zinc/06/40/72/203064072.db2.gz MZEIGYSGGPCTQZ-UHFFFAOYSA-N 2 2 330.432 1.260 50 0 EDAALP Nc1nc2c(c(NCCCc3[nH]c4ccccc4[nH+]3)n1)CC[NH2+]CC2 ZINC000072479466 203233433 /nfs/dbraw/zinc/23/34/33/203233433.db2.gz YKJMCYGMFQDHOZ-UHFFFAOYSA-N 2 2 337.431 1.668 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000072480940 203232285 /nfs/dbraw/zinc/23/22/85/203232285.db2.gz WEVGLPSZQDPTBA-AWEZNQCLSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000072480940 203232287 /nfs/dbraw/zinc/23/22/87/203232287.db2.gz WEVGLPSZQDPTBA-AWEZNQCLSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000072480940 203232290 /nfs/dbraw/zinc/23/22/90/203232290.db2.gz WEVGLPSZQDPTBA-AWEZNQCLSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000072480940 203232294 /nfs/dbraw/zinc/23/22/94/203232294.db2.gz WEVGLPSZQDPTBA-AWEZNQCLSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000072480939 203232685 /nfs/dbraw/zinc/23/26/85/203232685.db2.gz WEVGLPSZQDPTBA-CQSZACIVSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000072480939 203232688 /nfs/dbraw/zinc/23/26/88/203232688.db2.gz WEVGLPSZQDPTBA-CQSZACIVSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000072480939 203232691 /nfs/dbraw/zinc/23/26/91/203232691.db2.gz WEVGLPSZQDPTBA-CQSZACIVSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000072480939 203232693 /nfs/dbraw/zinc/23/26/93/203232693.db2.gz WEVGLPSZQDPTBA-CQSZACIVSA-N 2 2 329.452 1.514 50 0 EDAALP COCCn1c[nH+]cc1CNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095376625 203722367 /nfs/dbraw/zinc/72/23/67/203722367.db2.gz VJZYQIACSHSMRK-QGZVFWFLSA-N 2 2 342.443 1.927 50 0 EDAALP O[C@H](COc1cccc(C[NH+]2CC(O)C2)c1)C[NH+]1CCCCCC1 ZINC000095496981 203749784 /nfs/dbraw/zinc/74/97/84/203749784.db2.gz COAFKRBMQVBXQY-SFHVURJKSA-N 2 2 334.460 1.479 50 0 EDAALP O[C@@H](COc1ccccc1C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000011815102 211249616 /nfs/dbraw/zinc/24/96/16/211249616.db2.gz ONTVTTUHCDYXHP-GOSISDBHSA-N 2 2 334.460 1.744 50 0 EDAALP COCCn1c[nH+]cc1CNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000299792895 258097913 /nfs/dbraw/zinc/09/79/13/258097913.db2.gz GRHWBIDGUKZSCS-MRXNPFEDSA-N 2 2 334.395 1.588 50 0 EDAALP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000013694327 441164610 /nfs/dbraw/zinc/16/46/10/441164610.db2.gz ZMXRHDPXCJIHCE-UHFFFAOYSA-N 2 2 339.443 1.522 50 0 EDAALP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccc(C)cc3)CC2)C1 ZINC000072279894 441218180 /nfs/dbraw/zinc/21/81/80/441218180.db2.gz QFWVEWLVULGLNS-FQEVSTJZSA-N 2 2 347.503 1.712 50 0 EDAALP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccc(C)cc3)CC2)C1 ZINC000072279894 441218188 /nfs/dbraw/zinc/21/81/88/441218188.db2.gz QFWVEWLVULGLNS-FQEVSTJZSA-N 2 2 347.503 1.712 50 0 EDAALP O[C@@H]1CCN(c2cc[nH+]c(N3CCC([NH+]4CCCCC4)CC3)n2)C1 ZINC000065393781 441424071 /nfs/dbraw/zinc/42/40/71/441424071.db2.gz VDMQXCPJNBBHTQ-MRXNPFEDSA-N 2 2 331.464 1.502 50 0 EDAALP CC1(C)C[NH+]=C(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)S1 ZINC000085264006 441431551 /nfs/dbraw/zinc/43/15/51/441431551.db2.gz XQOAHXOHPGKVFY-UHFFFAOYSA-N 2 2 335.477 1.689 50 0 EDAALP Cc1cc[nH+]c(NCCNC(=O)C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000065453661 441436897 /nfs/dbraw/zinc/43/68/97/441436897.db2.gz NNXOODOYPZHVJA-UHFFFAOYSA-N 2 2 340.427 1.813 50 0 EDAALP Cc1cc[nH+]c(NCCNC(=O)C[N@H+]2CCOc3ccccc3C2)c1 ZINC000065453661 441436902 /nfs/dbraw/zinc/43/69/02/441436902.db2.gz NNXOODOYPZHVJA-UHFFFAOYSA-N 2 2 340.427 1.813 50 0 EDAALP CC[NH+](CC)Cc1cnc2c(C(=O)NCCc3c[nH+]c[nH]3)cnn2c1 ZINC000067895627 441694211 /nfs/dbraw/zinc/69/42/11/441694211.db2.gz RZYAMVYONLRRAR-UHFFFAOYSA-N 2 2 341.419 1.267 50 0 EDAALP CC[NH+](CC)Cc1cnc2c(C(=O)NCCc3c[nH]c[nH+]3)cnn2c1 ZINC000067895627 441694214 /nfs/dbraw/zinc/69/42/14/441694214.db2.gz RZYAMVYONLRRAR-UHFFFAOYSA-N 2 2 341.419 1.267 50 0 EDAALP O=C(C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2)N1CC[NH2+]CC1 ZINC000095369657 441914188 /nfs/dbraw/zinc/91/41/88/441914188.db2.gz UEEPXLDQPHRWDC-RBUKOAKNSA-N 2 2 342.487 1.015 50 0 EDAALP O=C(C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2)N1CC[NH2+]CC1 ZINC000095369657 441914192 /nfs/dbraw/zinc/91/41/92/441914192.db2.gz UEEPXLDQPHRWDC-RBUKOAKNSA-N 2 2 342.487 1.015 50 0 EDAALP CCc1nc(C)ncc1C(=O)NCC(C)(C)[NH+]1CCC([NH+](C)C)CC1 ZINC000095398540 441921633 /nfs/dbraw/zinc/92/16/33/441921633.db2.gz WTYHHZMONVBXPX-UHFFFAOYSA-N 2 2 347.507 1.882 50 0 EDAALP C[C@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+]1CCCCCC1 ZINC000096436210 442130450 /nfs/dbraw/zinc/13/04/50/442130450.db2.gz LZSPMKVBNBHSBN-CYBMUJFWSA-N 2 2 337.468 1.747 50 0 EDAALP Cc1[nH]c2ccc(CC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)cc2[nH+]1 ZINC000222487513 443078590 /nfs/dbraw/zinc/07/85/90/443078590.db2.gz CAEQISXCZZWYNG-QRVDHSFSSA-N 2 2 328.416 1.248 50 0 EDAALP Nc1nc(N2CCC(CC[NH+]3CCCC3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223025813 443084163 /nfs/dbraw/zinc/08/41/63/443084163.db2.gz GFENYSDLZGZKCX-UHFFFAOYSA-N 3 2 344.507 1.966 50 0 EDAALP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CSC[NH2+]1 ZINC000237773239 443182948 /nfs/dbraw/zinc/18/29/48/443182948.db2.gz UNRNENOQGFHOJN-XHDPSFHLSA-N 2 2 341.427 1.708 50 0 EDAALP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CSC[NH2+]1 ZINC000237773239 443182952 /nfs/dbraw/zinc/18/29/52/443182952.db2.gz UNRNENOQGFHOJN-XHDPSFHLSA-N 2 2 341.427 1.708 50 0 EDAALP CCOC(=O)[C@H]1CCC[N@H+](Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)C1 ZINC000244724091 443213482 /nfs/dbraw/zinc/21/34/82/443213482.db2.gz MNJBTDIDDJBUHK-MELADBBJSA-N 2 2 347.463 1.593 50 0 EDAALP CCOC(=O)[C@H]1CCC[N@@H+](Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)C1 ZINC000244724091 443213488 /nfs/dbraw/zinc/21/34/88/443213488.db2.gz MNJBTDIDDJBUHK-MELADBBJSA-N 2 2 347.463 1.593 50 0 EDAALP CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000244724391 443213836 /nfs/dbraw/zinc/21/38/36/443213836.db2.gz MSYXPNLHMIUUID-GOSISDBHSA-N 2 2 346.475 1.677 50 0 EDAALP CC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000244724391 443213840 /nfs/dbraw/zinc/21/38/40/443213840.db2.gz MSYXPNLHMIUUID-GOSISDBHSA-N 2 2 346.475 1.677 50 0 EDAALP C[N@H+](CCc1ccccn1)[C@@H]1CC[NH+](CCCn2cccn2)C[C@H]1O ZINC000012448914 707178751 /nfs/dbraw/zinc/17/87/51/707178751.db2.gz IYIKAMVNEHMQQO-RTBURBONSA-N 2 2 343.475 1.278 50 0 EDAALP C[N@@H+](CCc1ccccn1)[C@@H]1CC[NH+](CCCn2cccn2)C[C@H]1O ZINC000012448914 707178759 /nfs/dbraw/zinc/17/87/59/707178759.db2.gz IYIKAMVNEHMQQO-RTBURBONSA-N 2 2 343.475 1.278 50 0 EDAALP C[NH+](CCc1ccccn1)[C@@H]1CC[N@H+](CCCn2cccn2)C[C@H]1O ZINC000012448914 707178763 /nfs/dbraw/zinc/17/87/63/707178763.db2.gz IYIKAMVNEHMQQO-RTBURBONSA-N 2 2 343.475 1.278 50 0 EDAALP C[NH+](CCc1ccccn1)[C@@H]1CC[N@@H+](CCCn2cccn2)C[C@H]1O ZINC000012448914 707178766 /nfs/dbraw/zinc/17/87/66/707178766.db2.gz IYIKAMVNEHMQQO-RTBURBONSA-N 2 2 343.475 1.278 50 0 EDAALP O[C@@H](C[N@@H+]1CCC[C@@H]1Cn1cccn1)C[NH+]1CCc2ccccc2C1 ZINC000071876978 202352807 /nfs/dbraw/zinc/35/28/07/202352807.db2.gz AXUTWZNECNLSQY-WOJBJXKFSA-N 2 2 340.471 1.767 50 0 EDAALP O[C@@H](C[N@H+]1CCC[C@@H]1Cn1cccn1)C[NH+]1CCc2ccccc2C1 ZINC000071876978 202352811 /nfs/dbraw/zinc/35/28/11/202352811.db2.gz AXUTWZNECNLSQY-WOJBJXKFSA-N 2 2 340.471 1.767 50 0 EDAALP O[C@@H](C[NH+]1CCC[C@@H]1Cn1cccn1)C[N@@H+]1CCc2ccccc2C1 ZINC000071876978 202352813 /nfs/dbraw/zinc/35/28/13/202352813.db2.gz AXUTWZNECNLSQY-WOJBJXKFSA-N 2 2 340.471 1.767 50 0 EDAALP O[C@@H](C[NH+]1CCC[C@@H]1Cn1cccn1)C[N@H+]1CCc2ccccc2C1 ZINC000071876978 202352816 /nfs/dbraw/zinc/35/28/16/202352816.db2.gz AXUTWZNECNLSQY-WOJBJXKFSA-N 2 2 340.471 1.767 50 0 EDAALP Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072432788 216226885 /nfs/dbraw/zinc/22/68/85/216226885.db2.gz HASGBCSVPJIAPK-GOEBONIOSA-N 2 2 342.447 1.199 50 0 EDAALP Cn1ccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072432788 216226889 /nfs/dbraw/zinc/22/68/89/216226889.db2.gz HASGBCSVPJIAPK-GOEBONIOSA-N 2 2 342.447 1.199 50 0 EDAALP C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2O)CC12CC[NH2+]CC2 ZINC000215844545 241151691 /nfs/dbraw/zinc/15/16/91/241151691.db2.gz JSMQTNQVCRWCFT-UHFFFAOYSA-N 2 2 337.851 1.946 50 0 EDAALP C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2O)CC12CC[NH2+]CC2 ZINC000215844545 241151695 /nfs/dbraw/zinc/15/16/95/241151695.db2.gz JSMQTNQVCRWCFT-UHFFFAOYSA-N 2 2 337.851 1.946 50 0 EDAALP C[N@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000244873525 243091306 /nfs/dbraw/zinc/09/13/06/243091306.db2.gz WRRPTVRAWCJTOC-ROUUACIJSA-N 2 2 349.450 1.315 50 0 EDAALP C[N@@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000244873525 243091312 /nfs/dbraw/zinc/09/13/12/243091312.db2.gz WRRPTVRAWCJTOC-ROUUACIJSA-N 2 2 349.450 1.315 50 0 EDAALP Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)[nH+]cn1 ZINC000071763883 203110999 /nfs/dbraw/zinc/11/09/99/203110999.db2.gz NYFWRSKZQCGLQQ-ZDUSSCGKSA-N 2 2 344.463 1.018 50 0 EDAALP Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)[nH+]cn1 ZINC000071763883 203111002 /nfs/dbraw/zinc/11/10/02/203111002.db2.gz NYFWRSKZQCGLQQ-ZDUSSCGKSA-N 2 2 344.463 1.018 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000072468127 203229390 /nfs/dbraw/zinc/22/93/90/203229390.db2.gz ZEZSZDAILHUWBB-OAHLLOKOSA-N 2 2 343.479 1.904 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000072468127 203229392 /nfs/dbraw/zinc/22/93/92/203229392.db2.gz ZEZSZDAILHUWBB-OAHLLOKOSA-N 2 2 343.479 1.904 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000072468127 203229395 /nfs/dbraw/zinc/22/93/95/203229395.db2.gz ZEZSZDAILHUWBB-OAHLLOKOSA-N 2 2 343.479 1.904 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000072468127 203229397 /nfs/dbraw/zinc/22/93/97/203229397.db2.gz ZEZSZDAILHUWBB-OAHLLOKOSA-N 2 2 343.479 1.904 50 0 EDAALP O[C@@H]1CCC[N@H+](Cc2cc3n(n2)CC[NH+](CCCn2cccc2)C3)C1 ZINC000107013022 204223674 /nfs/dbraw/zinc/22/36/74/204223674.db2.gz DXYPARZKTSDVSS-LJQANCHMSA-N 2 2 343.475 1.547 50 0 EDAALP O[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CC[NH+](CCCn2cccc2)C3)C1 ZINC000107013022 204223677 /nfs/dbraw/zinc/22/36/77/204223677.db2.gz DXYPARZKTSDVSS-LJQANCHMSA-N 2 2 343.475 1.547 50 0 EDAALP O[C@@H]1CCC[NH+](Cc2cc3n(n2)CC[N@H+](CCCn2cccc2)C3)C1 ZINC000107013022 204223681 /nfs/dbraw/zinc/22/36/81/204223681.db2.gz DXYPARZKTSDVSS-LJQANCHMSA-N 2 2 343.475 1.547 50 0 EDAALP O[C@@H]1CCC[NH+](Cc2cc3n(n2)CC[N@@H+](CCCn2cccc2)C3)C1 ZINC000107013022 204223684 /nfs/dbraw/zinc/22/36/84/204223684.db2.gz DXYPARZKTSDVSS-LJQANCHMSA-N 2 2 343.475 1.547 50 0 EDAALP Cc1cc(C)n(CC[NH2+][C@H](C)C[N@@H+]2CCc3ccccc3C2)c(=O)n1 ZINC000067673012 301239523 /nfs/dbraw/zinc/23/95/23/301239523.db2.gz WKCVNOXOEMQFAO-MRXNPFEDSA-N 2 2 340.471 1.897 50 0 EDAALP Cc1cc(C)n(CC[NH2+][C@H](C)C[N@H+]2CCc3ccccc3C2)c(=O)n1 ZINC000067673012 301239527 /nfs/dbraw/zinc/23/95/27/301239527.db2.gz WKCVNOXOEMQFAO-MRXNPFEDSA-N 2 2 340.471 1.897 50 0 EDAALP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000072295740 441225029 /nfs/dbraw/zinc/22/50/29/441225029.db2.gz DFQOOEYKRRTMMD-MJGOQNOKSA-N 2 2 344.503 1.798 50 0 EDAALP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000072295740 441225032 /nfs/dbraw/zinc/22/50/32/441225032.db2.gz DFQOOEYKRRTMMD-MJGOQNOKSA-N 2 2 344.503 1.798 50 0 EDAALP c1nn(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000048236132 441276824 /nfs/dbraw/zinc/27/68/24/441276824.db2.gz MMNGBUHRKMQPIM-UHFFFAOYSA-N 2 2 341.459 1.812 50 0 EDAALP C[C@H](C(=O)NCC1([NH+](C)C)CC[NH+](C)CC1)n1cc(Cl)cn1 ZINC000426420599 447439712 /nfs/dbraw/zinc/43/97/12/447439712.db2.gz KOGKGBOICDJYHD-GFCCVEGCSA-N 2 2 327.860 1.240 50 0 EDAALP Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC000095368879 441914338 /nfs/dbraw/zinc/91/43/38/441914338.db2.gz FCJCVXYMEUTPKW-INIZCTEOSA-N 2 2 346.475 1.858 50 0 EDAALP CCCc1nc(N2CCC([NH2+][C@@H]3C[C@@H](CO)N(C)C3)CC2)cc(C)[nH+]1 ZINC000095502947 441939931 /nfs/dbraw/zinc/93/99/31/441939931.db2.gz NMTINGYYWDFTJF-SJORKVTESA-N 2 2 347.507 1.361 50 0 EDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000079352901 442040020 /nfs/dbraw/zinc/04/00/20/442040020.db2.gz KBPXPCMIRUFWGF-MRXNPFEDSA-N 2 2 327.432 1.964 50 0 EDAALP Cc1cccc(NC2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)[nH+]1 ZINC000096483345 442140802 /nfs/dbraw/zinc/14/08/02/442140802.db2.gz LYRIAIYDNPSXHS-MRXNPFEDSA-N 2 2 332.448 1.562 50 0 EDAALP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000245920292 443257964 /nfs/dbraw/zinc/25/79/64/443257964.db2.gz WRHHQTQURPMDSV-HRCADAONSA-N 2 2 339.386 1.157 50 0 EDAALP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000245920292 443257967 /nfs/dbraw/zinc/25/79/67/443257967.db2.gz WRHHQTQURPMDSV-HRCADAONSA-N 2 2 339.386 1.157 50 0 EDAALP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000245920292 443257974 /nfs/dbraw/zinc/25/79/74/443257974.db2.gz WRHHQTQURPMDSV-HRCADAONSA-N 2 2 339.386 1.157 50 0 EDAALP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000245920292 443257976 /nfs/dbraw/zinc/25/79/76/443257976.db2.gz WRHHQTQURPMDSV-HRCADAONSA-N 2 2 339.386 1.157 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000095509672 282087696 /nfs/dbraw/zinc/08/76/96/282087696.db2.gz LMYNBACYHJSFLD-AWEZNQCLSA-N 2 2 330.436 1.578 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000095509672 282087699 /nfs/dbraw/zinc/08/76/99/282087699.db2.gz LMYNBACYHJSFLD-AWEZNQCLSA-N 2 2 330.436 1.578 50 0 EDAALP Cn1c[nH+]c([C@@H]2CN(Cc3cc4c(c(Cl)c3)OCO4)C[C@H]2[NH3+])c1 ZINC000685941110 539579745 /nfs/dbraw/zinc/57/97/45/539579745.db2.gz RMYRXGUMHZXGAM-DGCLKSJQSA-N 2 2 334.807 1.729 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2nc(C)cc2C)CC1 ZINC000071876044 202352462 /nfs/dbraw/zinc/35/24/62/202352462.db2.gz MHWZGCCHRCMYBL-QZTJIDSGSA-N 2 2 347.507 1.517 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2nc(C)cc2C)CC1 ZINC000071876044 202352468 /nfs/dbraw/zinc/35/24/68/202352468.db2.gz MHWZGCCHRCMYBL-QZTJIDSGSA-N 2 2 347.507 1.517 50 0 EDAALP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193924860 240364890 /nfs/dbraw/zinc/36/48/90/240364890.db2.gz IUOLXZVLVWXSKG-SFHVURJKSA-N 2 2 346.475 1.140 50 0 EDAALP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193924860 240364895 /nfs/dbraw/zinc/36/48/95/240364895.db2.gz IUOLXZVLVWXSKG-SFHVURJKSA-N 2 2 346.475 1.140 50 0 EDAALP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C(=O)O1 ZINC000229449066 201042538 /nfs/dbraw/zinc/04/25/38/201042538.db2.gz IVPREJNRFDWUHK-ZTFGCOKTSA-N 2 2 332.444 1.726 50 0 EDAALP CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000058412682 201143322 /nfs/dbraw/zinc/14/33/22/201143322.db2.gz JPAWZLZHNZHJGX-HNNXBMFYSA-N 2 2 346.479 1.755 50 0 EDAALP C/C=C/C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072458334 203228196 /nfs/dbraw/zinc/22/81/96/203228196.db2.gz HVAFAGUVJNSHIE-NHZBNJEXSA-N 2 2 333.480 1.527 50 0 EDAALP C/C=C/C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072458334 203228197 /nfs/dbraw/zinc/22/81/97/203228197.db2.gz HVAFAGUVJNSHIE-NHZBNJEXSA-N 2 2 333.480 1.527 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000072422956 203219937 /nfs/dbraw/zinc/21/99/37/203219937.db2.gz WEBIWNDUUQQMKH-OAHLLOKOSA-N 2 2 333.480 1.361 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072422956 203219940 /nfs/dbraw/zinc/21/99/40/203219940.db2.gz WEBIWNDUUQQMKH-OAHLLOKOSA-N 2 2 333.480 1.361 50 0 EDAALP C[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106091898 204185855 /nfs/dbraw/zinc/18/58/55/204185855.db2.gz CUSXAZAEFJGMLZ-KFWWJZLASA-N 2 2 349.479 1.445 50 0 EDAALP C[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106091898 204185861 /nfs/dbraw/zinc/18/58/61/204185861.db2.gz CUSXAZAEFJGMLZ-KFWWJZLASA-N 2 2 349.479 1.445 50 0 EDAALP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3CSC[NH2+]3)CCCCC2)CCO1 ZINC000262682721 139296165 /nfs/dbraw/zinc/29/61/65/139296165.db2.gz TWCBDKKKDFXEDS-CQSZACIVSA-N 2 2 341.521 1.579 50 0 EDAALP CC1(C)C[N@H+](C2(CNC(=O)[C@H]3CSC[NH2+]3)CCCCC2)CCO1 ZINC000262682721 139296166 /nfs/dbraw/zinc/29/61/66/139296166.db2.gz TWCBDKKKDFXEDS-CQSZACIVSA-N 2 2 341.521 1.579 50 0 EDAALP [NH3+]CC[C@H]([NH3+])c1nc(C2CCOCC2)nn1CCc1ccccc1 ZINC000097743524 441143939 /nfs/dbraw/zinc/14/39/39/441143939.db2.gz WEKXMTMCEQIHSK-INIZCTEOSA-N 2 2 329.448 1.763 50 0 EDAALP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000012889902 441147553 /nfs/dbraw/zinc/14/75/53/441147553.db2.gz RYXIQXOLEDDZAO-QGZVFWFLSA-N 2 2 345.487 1.867 50 0 EDAALP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000012889902 441147559 /nfs/dbraw/zinc/14/75/59/441147559.db2.gz RYXIQXOLEDDZAO-QGZVFWFLSA-N 2 2 345.487 1.867 50 0 EDAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(C)nn(C)c2C)nc[nH+]1 ZINC000105797887 441271823 /nfs/dbraw/zinc/27/18/23/441271823.db2.gz KIFINVHHHQANMQ-CQSZACIVSA-N 2 2 329.452 1.627 50 0 EDAALP O=C(NCc1cn2ccccc2[nH+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000048275413 441283432 /nfs/dbraw/zinc/28/34/32/441283432.db2.gz CJJAOQQXLLIZNX-UHFFFAOYSA-N 2 2 336.399 1.761 50 0 EDAALP Cc1ccc(N2CCN(C(=O)C[N@H+](C)C3CC[NH2+]CC3)[C@@H](C)C2)cc1 ZINC000082106895 441333446 /nfs/dbraw/zinc/33/34/46/441333446.db2.gz MTFPXNVNPIBLLU-KRWDZBQOSA-N 2 2 344.503 1.716 50 0 EDAALP Cc1ccc(N2CCN(C(=O)C[N@@H+](C)C3CC[NH2+]CC3)[C@@H](C)C2)cc1 ZINC000082106895 441333452 /nfs/dbraw/zinc/33/34/52/441333452.db2.gz MTFPXNVNPIBLLU-KRWDZBQOSA-N 2 2 344.503 1.716 50 0 EDAALP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1ccco1 ZINC000048380315 441301355 /nfs/dbraw/zinc/30/13/55/441301355.db2.gz ALQXOSXYJJMKGZ-CQSZACIVSA-N 2 2 325.372 1.893 50 0 EDAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000108396728 441450061 /nfs/dbraw/zinc/45/00/61/441450061.db2.gz MSMBPBSOTYUIHD-DOTOQJQBSA-N 2 2 327.432 1.703 50 0 EDAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000108396728 441450063 /nfs/dbraw/zinc/45/00/63/441450063.db2.gz MSMBPBSOTYUIHD-DOTOQJQBSA-N 2 2 327.432 1.703 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091713367 441731951 /nfs/dbraw/zinc/73/19/51/441731951.db2.gz OVMBLQRQANICEG-UHFFFAOYSA-N 2 2 337.431 1.835 50 0 EDAALP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000068556831 441821050 /nfs/dbraw/zinc/82/10/50/441821050.db2.gz VQUVAUOJGOFPOW-MRXNPFEDSA-N 2 2 331.464 1.917 50 0 EDAALP C[N@H+](C[C@H](O)COc1cccc(C[NH+]2CC(O)C2)c1)C1CCCCC1 ZINC000095498267 441938006 /nfs/dbraw/zinc/93/80/06/441938006.db2.gz GGRGZOBVBGIKAT-IBGZPJMESA-N 2 2 348.487 1.867 50 0 EDAALP C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2CC(O)C2)c1)C1CCCCC1 ZINC000095498267 441938013 /nfs/dbraw/zinc/93/80/13/441938013.db2.gz GGRGZOBVBGIKAT-IBGZPJMESA-N 2 2 348.487 1.867 50 0 EDAALP COc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)c(OCC[NH3+])c1 ZINC000426438957 447444992 /nfs/dbraw/zinc/44/49/92/447444992.db2.gz YGTFCUZFGPMQOH-UHFFFAOYSA-N 2 2 329.400 1.975 50 0 EDAALP C[N@H+](CC(=O)NC[C@@H]1CCOc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000096179649 442053788 /nfs/dbraw/zinc/05/37/88/442053788.db2.gz MGUBIZDDFIYYDA-MRXNPFEDSA-N 2 2 345.487 1.770 50 0 EDAALP C[N@@H+](CC(=O)NC[C@@H]1CCOc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000096179649 442053792 /nfs/dbraw/zinc/05/37/92/442053792.db2.gz MGUBIZDDFIYYDA-MRXNPFEDSA-N 2 2 345.487 1.770 50 0 EDAALP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000097142173 442175073 /nfs/dbraw/zinc/17/50/73/442175073.db2.gz DCXPURZHHITEPH-OAHLLOKOSA-N 2 2 343.265 1.786 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000253426147 443065691 /nfs/dbraw/zinc/06/56/91/443065691.db2.gz IXPPVLUIMWVHBC-CIRFHOKZSA-N 2 2 331.460 1.787 50 0 EDAALP Cn1cc([C@H](CNc2cc(N3CCSCC3)[nH+]cn2)[NH+](C)C)cn1 ZINC000302905609 444231359 /nfs/dbraw/zinc/23/13/59/444231359.db2.gz SQLZRWVYLYBTRW-AWEZNQCLSA-N 2 2 347.492 1.478 50 0 EDAALP C[NH+](C)C1(CNC(=O)c2ccccc2-c2[nH]cc[nH+]2)CCOCC1 ZINC000426500384 447459222 /nfs/dbraw/zinc/45/92/22/447459222.db2.gz YTUGXLMIQPQOLW-UHFFFAOYSA-N 2 2 328.416 1.917 50 0 EDAALP Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(OCC[NH3+])cc1)C1CC1 ZINC000426739636 447497550 /nfs/dbraw/zinc/49/75/50/447497550.db2.gz FUYJNBWREZIHPQ-KRWDZBQOSA-N 2 2 328.416 1.568 50 0 EDAALP O=C(c1ccccc1)N1CCC([NH2+][C@H]2COC[C@@H]2[NH+]2CCCC2)CC1 ZINC000534666143 448464657 /nfs/dbraw/zinc/46/46/57/448464657.db2.gz XSVVBVITGFZSDL-OALUTQOASA-N 2 2 343.471 1.744 50 0 EDAALP C[N@@H+]1CCCN(CC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC000584899345 448670277 /nfs/dbraw/zinc/67/02/77/448670277.db2.gz GHUSMPGUDDAOEC-UHFFFAOYSA-N 2 2 332.448 1.089 50 0 EDAALP C[N@H+]1CCCN(CC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC000584899345 448670281 /nfs/dbraw/zinc/67/02/81/448670281.db2.gz GHUSMPGUDDAOEC-UHFFFAOYSA-N 2 2 332.448 1.089 50 0 EDAALP Cc1[nH+]cc(C[NH2+]CC2(C(N)=O)CCOCC2)n1-c1ccccc1 ZINC000086250734 485577780 /nfs/dbraw/zinc/57/77/80/485577780.db2.gz VBRXDICYNJILTQ-UHFFFAOYSA-N 2 2 328.416 1.552 50 0 EDAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(OCC(N)=O)cc1)CCC2 ZINC000084257778 486253233 /nfs/dbraw/zinc/25/32/33/486253233.db2.gz CRWWRAZEUBITEN-OAHLLOKOSA-N 2 2 328.416 1.723 50 0 EDAALP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000888100316 591029600 /nfs/dbraw/zinc/02/96/00/591029600.db2.gz RMGNOYNBFUIFSR-IJEWVQPXSA-N 2 2 347.463 1.333 50 0 EDAALP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000888100316 591029606 /nfs/dbraw/zinc/02/96/06/591029606.db2.gz RMGNOYNBFUIFSR-IJEWVQPXSA-N 2 2 347.463 1.333 50 0 EDAALP CCn1cc[nH+]c1CN1CC[NH+](CC2CCN(C(C)=O)CC2)CC1 ZINC000069442787 203002409 /nfs/dbraw/zinc/00/24/09/203002409.db2.gz YEKNCDQUFVIZSQ-UHFFFAOYSA-N 2 2 333.480 1.279 50 0 EDAALP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000069528313 203014644 /nfs/dbraw/zinc/01/46/44/203014644.db2.gz SDQQGVGQFSGKFZ-UHFFFAOYSA-N 2 2 325.420 1.665 50 0 EDAALP Nc1nc(NCCC[NH+]2Cc3ccccc3C2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072474194 203230604 /nfs/dbraw/zinc/23/06/04/203230604.db2.gz MVOXEVJDZAIUEH-UHFFFAOYSA-N 3 2 338.459 1.565 50 0 EDAALP CC(C)c1nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](CCO)C2)no1 ZINC000072426053 203221412 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/nfs/dbraw/zinc/10/79/25/443107925.db2.gz OZHASOPNUSDRMO-QGZVFWFLSA-N 2 2 347.850 1.785 50 0 EDAALP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc[nH+]c(N)c1Cl ZINC000225488197 443107929 /nfs/dbraw/zinc/10/79/29/443107929.db2.gz OZHASOPNUSDRMO-QGZVFWFLSA-N 2 2 347.850 1.785 50 0 EDAALP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)nn2)CC1 ZINC000244872981 443215935 /nfs/dbraw/zinc/21/59/35/443215935.db2.gz WHXPPRFYIRWYIQ-OKILXGFUSA-N 2 2 343.435 1.463 50 0 EDAALP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C2 ZINC000377684439 447294191 /nfs/dbraw/zinc/29/41/91/447294191.db2.gz XEDASOIDZCZVMH-NVXWUHKLSA-N 2 2 334.464 1.227 50 0 EDAALP COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3[nH+]ccn3C)cc2)C1 ZINC000426651168 447485687 /nfs/dbraw/zinc/48/56/87/447485687.db2.gz AHCRVNHNJLCVIX-OAHLLOKOSA-N 2 2 342.443 1.785 50 0 EDAALP COCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-c3[nH+]ccn3C)cc2)C1 ZINC000426651168 447485690 /nfs/dbraw/zinc/48/56/90/447485690.db2.gz AHCRVNHNJLCVIX-OAHLLOKOSA-N 2 2 342.443 1.785 50 0 EDAALP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000408473976 447664129 /nfs/dbraw/zinc/66/41/29/447664129.db2.gz WGCMXTQGURXZRA-HZPDHXFCSA-N 2 2 346.475 1.381 50 0 EDAALP CC1(C)CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000069842065 202294869 /nfs/dbraw/zinc/29/48/69/202294869.db2.gz PLFHJIKVQKEFSL-LJQANCHMSA-N 2 2 347.503 1.276 50 0 EDAALP CC1(C)CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000069842065 202294872 /nfs/dbraw/zinc/29/48/72/202294872.db2.gz PLFHJIKVQKEFSL-LJQANCHMSA-N 2 2 347.503 1.276 50 0 EDAALP CCS(=O)(=O)NCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316475 202392029 /nfs/dbraw/zinc/39/20/29/202392029.db2.gz HIYGEXRXIZACDL-UHFFFAOYSA-N 2 2 326.466 1.206 50 0 EDAALP Nc1nc(N[C@H](Cn2cccn2)c2ccccc2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072457094 216242136 /nfs/dbraw/zinc/24/21/36/216242136.db2.gz FWUOUYUBKYYLAJ-QGZVFWFLSA-N 2 2 349.442 1.797 50 0 EDAALP C[C@]1(CO)CCC[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000215125913 241107466 /nfs/dbraw/zinc/10/74/66/241107466.db2.gz OECXHUBURXNMSG-FQEVSTJZSA-N 2 2 348.487 1.992 50 0 EDAALP C[C@]1(CO)CCC[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000215125913 241107470 /nfs/dbraw/zinc/10/74/70/241107470.db2.gz OECXHUBURXNMSG-FQEVSTJZSA-N 2 2 348.487 1.992 50 0 EDAALP Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3CC[C@](O)(C[NH+](C)C)C3)cc2c1 ZINC000072425075 203221526 /nfs/dbraw/zinc/22/15/26/203221526.db2.gz PCIAXIWLCNHMPQ-IBGZPJMESA-N 2 2 329.444 1.643 50 0 EDAALP Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CC[C@](O)(C[NH+](C)C)C3)cc2c1 ZINC000072425075 203221530 /nfs/dbraw/zinc/22/15/30/203221530.db2.gz PCIAXIWLCNHMPQ-IBGZPJMESA-N 2 2 329.444 1.643 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000077485407 203391548 /nfs/dbraw/zinc/39/15/48/203391548.db2.gz JDECWWGYKMLEPK-UHFFFAOYSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000077485407 203391551 /nfs/dbraw/zinc/39/15/51/203391551.db2.gz JDECWWGYKMLEPK-UHFFFAOYSA-N 2 2 329.452 1.514 50 0 EDAALP CC1=CC[C@@H]2CN(c3cc(N4CC[NH+](C)CC4)nc(N)[nH+]3)C[C@@H]2C1 ZINC000071765195 276183306 /nfs/dbraw/zinc/18/33/06/276183306.db2.gz GGFHJJCMQWQVIP-CABCVRRESA-N 2 2 328.464 1.603 50 0 EDAALP CCc1cccc(OC2CN(C(=O)C[N@H+](C)C3CC[NH+](C)CC3)C2)c1 ZINC000082091491 441330522 /nfs/dbraw/zinc/33/05/22/441330522.db2.gz LDOMLTXQUNIJQM-UHFFFAOYSA-N 2 2 345.487 1.865 50 0 EDAALP CCc1cccc(OC2CN(C(=O)C[N@@H+](C)C3CC[NH+](C)CC3)C2)c1 ZINC000082091491 441330524 /nfs/dbraw/zinc/33/05/24/441330524.db2.gz LDOMLTXQUNIJQM-UHFFFAOYSA-N 2 2 345.487 1.865 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000091973840 441757913 /nfs/dbraw/zinc/75/79/13/441757913.db2.gz MNTIGRPMGWLQQG-INIZCTEOSA-N 2 2 337.431 1.835 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000091973840 441757917 /nfs/dbraw/zinc/75/79/17/441757917.db2.gz MNTIGRPMGWLQQG-INIZCTEOSA-N 2 2 337.431 1.835 50 0 EDAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(C(N)=O)no2)C1 ZINC000095356492 441911860 /nfs/dbraw/zinc/91/18/60/441911860.db2.gz IEEQGTUYIMOPNM-LBPRGKRZSA-N 2 2 332.408 1.545 50 0 EDAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(C(N)=O)no2)C1 ZINC000095356492 441911866 /nfs/dbraw/zinc/91/18/66/441911866.db2.gz IEEQGTUYIMOPNM-LBPRGKRZSA-N 2 2 332.408 1.545 50 0 EDAALP Cc1cccc([C@@H](C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000095380752 441917510 /nfs/dbraw/zinc/91/75/10/441917510.db2.gz CHAZNBHZZKEMJB-SFHVURJKSA-N 2 2 346.519 1.740 50 0 EDAALP CN(Cc1ccc(O)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000095976241 441967370 /nfs/dbraw/zinc/96/73/70/441967370.db2.gz FLJPZQFVAINQJP-UHFFFAOYSA-N 2 2 334.464 1.560 50 0 EDAALP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000167508206 442221637 /nfs/dbraw/zinc/22/16/37/442221637.db2.gz HVFAMHPZEJSYDJ-PKOBYXMFSA-N 2 2 345.487 1.736 50 0 EDAALP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000156552669 442494056 /nfs/dbraw/zinc/49/40/56/442494056.db2.gz XFXWGNDAGPAJNB-MAUKXSAKSA-N 2 2 331.460 1.718 50 0 EDAALP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1Cn1cccn1 ZINC000247957877 442874650 /nfs/dbraw/zinc/87/46/50/442874650.db2.gz DHHCVKKGILGVSN-OALUTQOASA-N 2 2 328.460 1.840 50 0 EDAALP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1Cn1cccn1 ZINC000247957877 442874651 /nfs/dbraw/zinc/87/46/51/442874651.db2.gz DHHCVKKGILGVSN-OALUTQOASA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247957877 442874653 /nfs/dbraw/zinc/87/46/53/442874653.db2.gz DHHCVKKGILGVSN-OALUTQOASA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000247957877 442874655 /nfs/dbraw/zinc/87/46/55/442874655.db2.gz DHHCVKKGILGVSN-OALUTQOASA-N 2 2 328.460 1.840 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2nc(C)cc2C)CC1 ZINC000253374430 443052191 /nfs/dbraw/zinc/05/21/91/443052191.db2.gz MHWZGCCHRCMYBL-MSOLQXFVSA-N 2 2 347.507 1.517 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2nc(C)cc2C)CC1 ZINC000253374430 443052195 /nfs/dbraw/zinc/05/21/95/443052195.db2.gz MHWZGCCHRCMYBL-MSOLQXFVSA-N 2 2 347.507 1.517 50 0 EDAALP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000238016461 443192861 /nfs/dbraw/zinc/19/28/61/443192861.db2.gz MEQWTEZDNGFUAZ-QAPCUYQASA-N 2 2 331.460 1.653 50 0 EDAALP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1Cn1cccn1 ZINC000071876981 202353140 /nfs/dbraw/zinc/35/31/40/202353140.db2.gz DHHCVKKGILGVSN-MOPGFXCFSA-N 2 2 328.460 1.840 50 0 EDAALP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1Cn1cccn1 ZINC000071876981 202353142 /nfs/dbraw/zinc/35/31/42/202353142.db2.gz DHHCVKKGILGVSN-MOPGFXCFSA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071876981 202353143 /nfs/dbraw/zinc/35/31/43/202353143.db2.gz DHHCVKKGILGVSN-MOPGFXCFSA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071876981 202353145 /nfs/dbraw/zinc/35/31/45/202353145.db2.gz DHHCVKKGILGVSN-MOPGFXCFSA-N 2 2 328.460 1.840 50 0 EDAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nc(C)ccc2O)nc[nH+]1 ZINC000071877201 201170554 /nfs/dbraw/zinc/17/05/54/201170554.db2.gz XJYDSBDPXHEGFE-CYBMUJFWSA-N 2 2 328.420 1.686 50 0 EDAALP C[N@H+](CC(=O)NCC1(COc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000215014778 241101985 /nfs/dbraw/zinc/10/19/85/241101985.db2.gz VXQFBADLAPAQSY-UHFFFAOYSA-N 2 2 331.460 1.646 50 0 EDAALP C[N@@H+](CC(=O)NCC1(COc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000215014778 241101987 /nfs/dbraw/zinc/10/19/87/241101987.db2.gz VXQFBADLAPAQSY-UHFFFAOYSA-N 2 2 331.460 1.646 50 0 EDAALP CCOc1c(CN(C)C(=O)C[N@H+](C)C2CC[NH2+]CC2)cccc1OC ZINC000215259774 241113602 /nfs/dbraw/zinc/11/36/02/241113602.db2.gz HISIFQVVYJKRQR-UHFFFAOYSA-N 2 2 349.475 1.736 50 0 EDAALP CCOc1c(CN(C)C(=O)C[N@@H+](C)C2CC[NH2+]CC2)cccc1OC ZINC000215259774 241113607 /nfs/dbraw/zinc/11/36/07/241113607.db2.gz HISIFQVVYJKRQR-UHFFFAOYSA-N 2 2 349.475 1.736 50 0 EDAALP Cc1ccc2[nH+]c(CNC(=O)CC[C@H](C)[NH+]3CCOCC3)cn2c1 ZINC000219571402 241397449 /nfs/dbraw/zinc/39/74/49/241397449.db2.gz LRXUDNXAKFZWIV-HNNXBMFYSA-N 2 2 330.432 1.760 50 0 EDAALP Nc1nc(NCCCn2nnc3ccccc32)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244748825 243077439 /nfs/dbraw/zinc/07/74/39/243077439.db2.gz OPAGYRQFTQMOGF-HAQNSBGRSA-N 2 2 338.419 1.510 50 0 EDAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2cc(C)on2)c(C)[nH+]1 ZINC000072137287 203168063 /nfs/dbraw/zinc/16/80/63/203168063.db2.gz YEJHVZJMVRSTJR-GJZGRUSLSA-N 2 2 345.447 1.881 50 0 EDAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2cc(C)on2)c(C)[nH+]1 ZINC000072137287 203168066 /nfs/dbraw/zinc/16/80/66/203168066.db2.gz YEJHVZJMVRSTJR-GJZGRUSLSA-N 2 2 345.447 1.881 50 0 EDAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000072149470 203171293 /nfs/dbraw/zinc/17/12/93/203171293.db2.gz DTIUUIYQKGMCSB-INIZCTEOSA-N 2 2 328.416 1.268 50 0 EDAALP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cn1 ZINC000075129502 203304656 /nfs/dbraw/zinc/30/46/56/203304656.db2.gz AJKKJMCASGPYNI-INIZCTEOSA-N 2 2 344.463 1.956 50 0 EDAALP CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cn1 ZINC000075129502 203304658 /nfs/dbraw/zinc/30/46/58/203304658.db2.gz AJKKJMCASGPYNI-INIZCTEOSA-N 2 2 344.463 1.956 50 0 EDAALP CCn1c(C[NH+](C)C)nnc1C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000077459830 203389593 /nfs/dbraw/zinc/38/95/93/203389593.db2.gz VFYSDQTXIMJJAT-UHFFFAOYSA-N 2 2 330.440 1.116 50 0 EDAALP Cc1nc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c2c([nH+]1)CCC2 ZINC000230113536 279111764 /nfs/dbraw/zinc/11/17/64/279111764.db2.gz YRZPTLXANKHJHG-LJQANCHMSA-N 2 2 343.475 1.407 50 0 EDAALP Cc1nc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c2c([nH+]1)CCC2 ZINC000230113536 279111766 /nfs/dbraw/zinc/11/17/66/279111766.db2.gz YRZPTLXANKHJHG-LJQANCHMSA-N 2 2 343.475 1.407 50 0 EDAALP CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000097594783 441141291 /nfs/dbraw/zinc/14/12/91/441141291.db2.gz PUZORKKVDOKYFP-GOSISDBHSA-N 2 2 346.475 1.225 50 0 EDAALP CC(C)[N@H+]1CCO[C@H](CC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000097594783 441141296 /nfs/dbraw/zinc/14/12/96/441141296.db2.gz PUZORKKVDOKYFP-GOSISDBHSA-N 2 2 346.475 1.225 50 0 EDAALP O=C(NCCC[NH+]1CCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000013668465 441163692 /nfs/dbraw/zinc/16/36/92/441163692.db2.gz SUQVBHTWHLRXOS-UHFFFAOYSA-N 2 2 331.460 1.735 50 0 EDAALP CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072426657 441230510 /nfs/dbraw/zinc/23/05/10/441230510.db2.gz QYAHAECFMIEZFE-HNNXBMFYSA-N 2 2 347.507 1.740 50 0 EDAALP CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072426657 441230516 /nfs/dbraw/zinc/23/05/16/441230516.db2.gz QYAHAECFMIEZFE-HNNXBMFYSA-N 2 2 347.507 1.740 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000072284658 441220363 /nfs/dbraw/zinc/22/03/63/441220363.db2.gz HYEUTMRFFYLDHJ-INIZCTEOSA-N 2 2 342.447 1.310 50 0 EDAALP Cc1ccc([C@H](CNC(=O)NCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000067003289 441597910 /nfs/dbraw/zinc/59/79/10/441597910.db2.gz DBLNXFMQTKXVQN-KRWDZBQOSA-N 2 2 334.464 1.229 50 0 EDAALP CN(C)c1nc2c(c(NCCc3c[nH+]c4ccccn34)n1)CC[NH2+]C2 ZINC000067774612 441678853 /nfs/dbraw/zinc/67/88/53/441678853.db2.gz OGDFQOBQVIWJCY-UHFFFAOYSA-N 2 2 337.431 1.491 50 0 EDAALP Cc1ccc(C)c2c(=O)cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)[nH]c12 ZINC000091350823 441696933 /nfs/dbraw/zinc/69/69/33/441696933.db2.gz FNZLJMGOCYEHRH-QGZVFWFLSA-N 2 2 340.471 1.624 50 0 EDAALP C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C1 ZINC000092002613 441760297 /nfs/dbraw/zinc/76/02/97/441760297.db2.gz CTUHVQQSCVZHAA-HUUCEWRRSA-N 2 2 342.443 1.709 50 0 EDAALP O=C([C@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095508347 441943321 /nfs/dbraw/zinc/94/33/21/441943321.db2.gz RWYBPXJLEGPURM-INIZCTEOSA-N 2 2 339.443 1.642 50 0 EDAALP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000096444680 442133436 /nfs/dbraw/zinc/13/34/36/442133436.db2.gz OYMBQNFHBIWUBQ-SFHVURJKSA-N 2 2 349.450 1.581 50 0 EDAALP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000096444680 442133438 /nfs/dbraw/zinc/13/34/38/442133438.db2.gz OYMBQNFHBIWUBQ-SFHVURJKSA-N 2 2 349.450 1.581 50 0 EDAALP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)C1 ZINC000096444680 442133442 /nfs/dbraw/zinc/13/34/42/442133442.db2.gz OYMBQNFHBIWUBQ-SFHVURJKSA-N 2 2 349.450 1.581 50 0 EDAALP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)C1 ZINC000096444680 442133445 /nfs/dbraw/zinc/13/34/45/442133445.db2.gz OYMBQNFHBIWUBQ-SFHVURJKSA-N 2 2 349.450 1.581 50 0 EDAALP Cc1cc(N2CCC([N@H+](C)CCS(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000096452006 442134718 /nfs/dbraw/zinc/13/47/18/442134718.db2.gz SAECMTURRCGMLS-UHFFFAOYSA-N 2 2 326.466 1.039 50 0 EDAALP Cc1cc(N2CCC([N@@H+](C)CCS(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000096452006 442134722 /nfs/dbraw/zinc/13/47/22/442134722.db2.gz SAECMTURRCGMLS-UHFFFAOYSA-N 2 2 326.466 1.039 50 0 EDAALP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096631 442167395 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1.581 50 0 EDAALP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000004477739 201601561 /nfs/dbraw/zinc/60/15/61/201601561.db2.gz LSTIFWCADQAZAZ-UHFFFAOYSA-N 2 2 331.416 1.059 50 0 EDAALP c1c(CN2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nn2c1C[NH2+]CC2 ZINC000072162589 203177620 /nfs/dbraw/zinc/17/76/20/203177620.db2.gz ZQHIUYUUMDNRST-UHFFFAOYSA-N 2 2 337.431 1.185 50 0 EDAALP Cc1cc2[nH+]c(CNc3nc(N)nc4c3CC[NH2+]CC4)cn2c(C)c1 ZINC000072436623 203224639 /nfs/dbraw/zinc/22/46/39/203224639.db2.gz PWTPYYXUFQVXNA-UHFFFAOYSA-N 2 2 337.431 1.624 50 0 EDAALP C[NH+](C)CC[C@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1ccccc1 ZINC000072447065 203225250 /nfs/dbraw/zinc/22/52/50/203225250.db2.gz QGLHFMSJOAXNBK-INIZCTEOSA-N 3 2 340.475 1.852 50 0 EDAALP CCc1[nH+]ccn1CCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000072463029 203227877 /nfs/dbraw/zinc/22/78/77/203227877.db2.gz NSTCEJFXSWLQKO-UHFFFAOYSA-N 2 2 341.459 1.883 50 0 EDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047028358 441149608 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EDAALP CS(=O)(=O)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000030656565 441500605 /nfs/dbraw/zinc/50/06/05/441500605.db2.gz VYMKDSABXVGFKG-UHFFFAOYSA-N 2 2 334.445 1.386 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NC[C@H](C[NH+](C)C)[C@H](O)c1ccccc1 ZINC000042099611 441703935 /nfs/dbraw/zinc/70/39/35/441703935.db2.gz JDYDZIQURNPSND-GDBMZVCRSA-N 2 2 340.431 1.687 50 0 EDAALP C[NH2+]CC[NH2+]C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067982318 441704856 /nfs/dbraw/zinc/70/48/56/441704856.db2.gz MLJFPBUUIMLMBL-IBGZPJMESA-N 2 2 333.476 1.473 50 0 EDAALP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000095393981 441919201 /nfs/dbraw/zinc/91/92/01/441919201.db2.gz CPHAOWNFNZPARP-IAGOWNOFSA-N 2 2 338.496 1.367 50 0 EDAALP O=C([C@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095528060 441950381 /nfs/dbraw/zinc/95/03/81/441950381.db2.gz LDNZZMFPHIAGDO-KRWDZBQOSA-N 2 2 339.443 1.642 50 0 EDAALP C[C@]1(O)CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1O ZINC000096150752 442047084 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349.483 1.017 50 0 EDAALP CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000252507531 443036623 /nfs/dbraw/zinc/03/66/23/443036623.db2.gz WNZKVBLEYXKPKR-KBPBESRZSA-N 2 2 349.483 1.017 50 0 EDAALP CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000252507531 443036625 /nfs/dbraw/zinc/03/66/25/443036625.db2.gz WNZKVBLEYXKPKR-KBPBESRZSA-N 2 2 349.483 1.017 50 0 EDAALP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000328589564 444388590 /nfs/dbraw/zinc/38/85/90/444388590.db2.gz GELJCWHZFJTYQS-OAHLLOKOSA-N 2 2 327.469 1.106 50 0 EDAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC[NH3+])csc3C2)nc1 ZINC000426599798 447479111 /nfs/dbraw/zinc/47/91/11/447479111.db2.gz VAYQXUXOLLFALR-UHFFFAOYSA-N 2 2 344.484 1.952 50 0 EDAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC[NH3+])csc3C2)nc1 ZINC000426599798 447479112 /nfs/dbraw/zinc/47/91/12/447479112.db2.gz VAYQXUXOLLFALR-UHFFFAOYSA-N 2 2 344.484 1.952 50 0 EDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(C(N)=O)CC3)c2cc1C ZINC000051090205 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333.476 1.903 50 0 EDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000237608111 139055535 /nfs/dbraw/zinc/05/55/35/139055535.db2.gz QZFJYEVIHVFBDC-MRXNPFEDSA-N 2 2 332.448 1.325 50 0 EDAALP COc1cc(C[NH2+]C2CC2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011950677 211274354 /nfs/dbraw/zinc/27/43/54/211274354.db2.gz POISNYRKUHJBMF-MRXNPFEDSA-N 2 2 336.432 1.019 50 0 EDAALP COc1cccc(OC)c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091519114 218016646 /nfs/dbraw/zinc/01/66/46/218016646.db2.gz PUFDDRBBXVPFLU-HZPDHXFCSA-N 2 2 334.460 1.840 50 0 EDAALP COc1cccc(OC)c1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091519114 218016648 /nfs/dbraw/zinc/01/66/48/218016648.db2.gz PUFDDRBBXVPFLU-HZPDHXFCSA-N 2 2 334.460 1.840 50 0 EDAALP Cn1cc[nH+]c1CN(CCO)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095382463 218314410 /nfs/dbraw/zinc/31/44/10/218314410.db2.gz HDJPRAONGBMGMS-MRXNPFEDSA-N 2 2 334.395 1.183 50 0 EDAALP c1cn(CCCNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)c[nH+]1 ZINC000071758988 441151387 /nfs/dbraw/zinc/15/13/87/441151387.db2.gz KYUFPWYASNFPRS-UHFFFAOYSA-N 2 2 335.415 1.883 50 0 EDAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3cnccn3)C[C@H]2CCO)CC1 ZINC000107015556 441396991 /nfs/dbraw/zinc/39/69/91/441396991.db2.gz OYYCUAUCTSFGRH-QGZVFWFLSA-N 2 2 333.480 1.222 50 0 EDAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3cnccn3)C[C@H]2CCO)CC1 ZINC000107015556 441396995 /nfs/dbraw/zinc/39/69/95/441396995.db2.gz OYYCUAUCTSFGRH-QGZVFWFLSA-N 2 2 333.480 1.222 50 0 EDAALP CC[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000065435573 441433384 /nfs/dbraw/zinc/43/33/84/441433384.db2.gz QMYZIAYESSZZPZ-MRXNPFEDSA-N 2 2 332.496 1.905 50 0 EDAALP COc1ccc([C@@H](NC(=O)NC[C@@H](C)[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000065440865 441434928 /nfs/dbraw/zinc/43/49/28/441434928.db2.gz AEBCXIDTENXHBR-CZUORRHYSA-N 2 2 345.447 1.767 50 0 EDAALP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)no1 ZINC000090004055 441611657 /nfs/dbraw/zinc/61/16/57/441611657.db2.gz MTCQPRYUQCFWJQ-AWEZNQCLSA-N 2 2 331.420 2.000 50 0 EDAALP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)no1 ZINC000090004055 441611661 /nfs/dbraw/zinc/61/16/61/441611661.db2.gz MTCQPRYUQCFWJQ-AWEZNQCLSA-N 2 2 331.420 2.000 50 0 EDAALP c1cc(C[NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)ccn1 ZINC000095997073 441975639 /nfs/dbraw/zinc/97/56/39/441975639.db2.gz ZPZLCRPXDUFFRQ-UHFFFAOYSA-N 2 2 340.431 1.030 50 0 EDAALP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ncon2)CC1 ZINC000095520405 441947296 /nfs/dbraw/zinc/94/72/96/441947296.db2.gz LIUVHQSWXKIWSS-INIZCTEOSA-N 2 2 349.479 1.662 50 0 EDAALP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ncon2)CC1 ZINC000095520405 441947300 /nfs/dbraw/zinc/94/73/00/441947300.db2.gz LIUVHQSWXKIWSS-INIZCTEOSA-N 2 2 349.479 1.662 50 0 EDAALP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2OCC[NH+](Cc3ccccc3)[C@H]2C1 ZINC000252512024 443038735 /nfs/dbraw/zinc/03/87/35/443038735.db2.gz LOCAQJFWKZHOAL-CEXWTWQISA-N 2 2 343.471 1.583 50 0 EDAALP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2OCC[NH+](Cc3ccccc3)[C@H]2C1 ZINC000252512024 443038739 /nfs/dbraw/zinc/03/87/39/443038739.db2.gz LOCAQJFWKZHOAL-CEXWTWQISA-N 2 2 343.471 1.583 50 0 EDAALP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000252512024 443038742 /nfs/dbraw/zinc/03/87/42/443038742.db2.gz LOCAQJFWKZHOAL-CEXWTWQISA-N 2 2 343.471 1.583 50 0 EDAALP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000252512024 443038745 /nfs/dbraw/zinc/03/87/45/443038745.db2.gz LOCAQJFWKZHOAL-CEXWTWQISA-N 2 2 343.471 1.583 50 0 EDAALP Cc1nc(N2CC[NH+](Cc3cccnc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219915822 443062299 /nfs/dbraw/zinc/06/22/99/443062299.db2.gz UFPSUIVRVQQFDO-UHFFFAOYSA-N 2 2 339.443 1.741 50 0 EDAALP Cc1cccc(C[N@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)n1 ZINC000221205897 443069961 /nfs/dbraw/zinc/06/99/61/443069961.db2.gz AYPCJPYOQCIFQJ-SFHVURJKSA-N 2 2 329.448 1.587 50 0 EDAALP Cc1cccc(C[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)n1 ZINC000221205897 443069967 /nfs/dbraw/zinc/06/99/67/443069967.db2.gz AYPCJPYOQCIFQJ-SFHVURJKSA-N 2 2 329.448 1.587 50 0 EDAALP Cc1cc(NC(=O)CC[N@@H+]2CCN(Cc3[nH+]ccn3C)[C@@H](C)C2)no1 ZINC000229367664 443127039 /nfs/dbraw/zinc/12/70/39/443127039.db2.gz YEJGPGHJNXTTLF-ZDUSSCGKSA-N 2 2 346.435 1.251 50 0 EDAALP Cc1cc(NC(=O)CC[N@H+]2CCN(Cc3[nH+]ccn3C)[C@@H](C)C2)no1 ZINC000229367664 443127041 /nfs/dbraw/zinc/12/70/41/443127041.db2.gz YEJGPGHJNXTTLF-ZDUSSCGKSA-N 2 2 346.435 1.251 50 0 EDAALP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000377304054 447052243 /nfs/dbraw/zinc/05/22/43/447052243.db2.gz MFDHNPRWQMNTPD-OAHLLOKOSA-N 2 2 325.497 1.913 50 0 EDAALP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000377304054 447052250 /nfs/dbraw/zinc/05/22/50/447052250.db2.gz MFDHNPRWQMNTPD-OAHLLOKOSA-N 2 2 325.497 1.913 50 0 EDAALP O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCC1(Cn2cc[nH+]c2)CC1 ZINC000426503070 447458342 /nfs/dbraw/zinc/45/83/42/447458342.db2.gz RDLRUGMPYVEQKP-HNNXBMFYSA-N 2 2 342.447 1.143 50 0 EDAALP CCN(CC)c1cc(CCC(=O)NCCC[NH+]2CCOCC2)cc[nH+]1 ZINC000065269930 490997271 /nfs/dbraw/zinc/99/72/71/490997271.db2.gz UBQAOVZHLDEDPZ-UHFFFAOYSA-N 2 2 348.491 1.699 50 0 EDAALP COCC[N@@H+]1CCC2(CC[NH+](Cc3[nH]c[nH+]c3C)CC2)[C@@H](CO)C1 ZINC000097674327 219045720 /nfs/dbraw/zinc/04/57/20/219045720.db2.gz FCQBLRPGMRTSLO-MRXNPFEDSA-N 3 2 336.480 1.261 50 0 EDAALP COCC[N@H+]1CCC2(CC[NH+](Cc3[nH]c[nH+]c3C)CC2)[C@@H](CO)C1 ZINC000097674327 219045722 /nfs/dbraw/zinc/04/57/22/219045722.db2.gz FCQBLRPGMRTSLO-MRXNPFEDSA-N 3 2 336.480 1.261 50 0 EDAALP Cc1c[nH]c(CN(C)c2nc(CC3CC3)nc3c2CC[NH2+]CC3)[nH+]1 ZINC000072421967 216210490 /nfs/dbraw/zinc/21/04/90/216210490.db2.gz ADKVYJNCDRHJIZ-UHFFFAOYSA-N 2 2 326.448 1.785 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000072463340 216244939 /nfs/dbraw/zinc/24/49/39/216244939.db2.gz JUSLLFJBDPPIQJ-OAHLLOKOSA-N 2 2 333.480 1.769 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072463340 216244941 /nfs/dbraw/zinc/24/49/41/216244941.db2.gz JUSLLFJBDPPIQJ-OAHLLOKOSA-N 2 2 333.480 1.769 50 0 EDAALP Nc1nc(NCCc2cnn(-c3ccccc3)c2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072479351 216258571 /nfs/dbraw/zinc/25/85/71/216258571.db2.gz SPRQQZFEKBMCDE-UHFFFAOYSA-N 2 2 349.442 1.587 50 0 EDAALP COc1ccc(OC)c(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000219001472 241361135 /nfs/dbraw/zinc/36/11/35/241361135.db2.gz GQZKMBKUFQRWPT-UHFFFAOYSA-N 2 2 329.404 1.893 50 0 EDAALP C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229368095 242159378 /nfs/dbraw/zinc/15/93/78/242159378.db2.gz MIOVRHRMXMBWNI-DLBZAZTESA-N 2 2 344.459 1.366 50 0 EDAALP C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229368095 242159383 /nfs/dbraw/zinc/15/93/83/242159383.db2.gz MIOVRHRMXMBWNI-DLBZAZTESA-N 2 2 344.459 1.366 50 0 EDAALP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000229397736 242163906 /nfs/dbraw/zinc/16/39/06/242163906.db2.gz YGWAWMVYZZITBF-RTBURBONSA-N 2 2 333.476 1.058 50 0 EDAALP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000229397736 242163910 /nfs/dbraw/zinc/16/39/10/242163910.db2.gz YGWAWMVYZZITBF-RTBURBONSA-N 2 2 333.476 1.058 50 0 EDAALP O=C(CC[NH+]1CCC([NH+]2CCSCC2)CC1)Nc1cccnc1 ZINC000244884316 243097770 /nfs/dbraw/zinc/09/77/70/243097770.db2.gz YJVNYGOWDBWQEM-UHFFFAOYSA-N 2 2 334.489 1.923 50 0 EDAALP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000065404013 286509514 /nfs/dbraw/zinc/50/95/14/286509514.db2.gz YMIVQUWDHXEIOS-GOEBONIOSA-N 2 2 345.447 1.882 50 0 EDAALP O=C(CCCn1cc[nH+]c1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000219312992 274969245 /nfs/dbraw/zinc/96/92/45/274969245.db2.gz SHLMUXCXAPMRIR-QGZVFWFLSA-N 2 2 334.464 1.767 50 0 EDAALP CC[C@](C)(CNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCOCC1 ZINC000044954715 440926205 /nfs/dbraw/zinc/92/62/05/440926205.db2.gz GTFDEMFFMPGYPH-GOSISDBHSA-N 2 2 349.479 1.448 50 0 EDAALP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000069979999 441100302 /nfs/dbraw/zinc/10/03/02/441100302.db2.gz WENKYSVFPHMTBO-UHFFFAOYSA-N 2 2 340.418 1.473 50 0 EDAALP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000069979999 441100305 /nfs/dbraw/zinc/10/03/05/441100305.db2.gz WENKYSVFPHMTBO-UHFFFAOYSA-N 2 2 340.418 1.473 50 0 EDAALP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)C(C)C ZINC000058393861 441190391 /nfs/dbraw/zinc/19/03/91/441190391.db2.gz PZLQFMBLZFZEPD-UHFFFAOYSA-N 2 2 333.476 1.979 50 0 EDAALP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)C(C)C ZINC000058393861 441190395 /nfs/dbraw/zinc/19/03/95/441190395.db2.gz PZLQFMBLZFZEPD-UHFFFAOYSA-N 2 2 333.476 1.979 50 0 EDAALP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2OCCCCn2cc[nH+]c2)C[C@H]1O ZINC000082106589 441333488 /nfs/dbraw/zinc/33/34/88/441333488.db2.gz VIEPMFVFOPSBOL-QZTJIDSGSA-N 3 2 344.459 1.636 50 0 EDAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2OCCCCn2cc[nH+]c2)C[C@H]1O ZINC000082106589 441333490 /nfs/dbraw/zinc/33/34/90/441333490.db2.gz VIEPMFVFOPSBOL-QZTJIDSGSA-N 3 2 344.459 1.636 50 0 EDAALP [NH3+][C@@H]1CCN(Cc2ccccc2OCCCCn2cc[nH+]c2)C[C@H]1O ZINC000082106589 441333493 /nfs/dbraw/zinc/33/34/93/441333493.db2.gz VIEPMFVFOPSBOL-QZTJIDSGSA-N 2 2 344.459 1.636 50 0 EDAALP C[NH+](C)[C@H](CNc1nc(N2CCC(O)CC2)cc[nH+]1)c1ccccn1 ZINC000065372482 441419599 /nfs/dbraw/zinc/41/95/99/441419599.db2.gz YTHFUGVIQLZEEC-MRXNPFEDSA-N 2 2 342.447 1.548 50 0 EDAALP C[N@@H+]1CCN2CCN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)C[C@@H]2C1 ZINC000065396807 441423789 /nfs/dbraw/zinc/42/37/89/441423789.db2.gz AIQQPMVNAKVFED-INIZCTEOSA-N 2 2 325.416 1.149 50 0 EDAALP C[N@H+]1CCN2CCN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)C[C@@H]2C1 ZINC000065396807 441423790 /nfs/dbraw/zinc/42/37/90/441423790.db2.gz AIQQPMVNAKVFED-INIZCTEOSA-N 2 2 325.416 1.149 50 0 EDAALP CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[NH+]1CCCC1 ZINC000065538822 441455254 /nfs/dbraw/zinc/45/52/54/441455254.db2.gz DSNHFNUMEPCBIO-SFHVURJKSA-N 2 2 330.476 1.846 50 0 EDAALP C[C@H](c1ccccn1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000108475100 441455768 /nfs/dbraw/zinc/45/57/68/441455768.db2.gz QUAMUJOWXRNMKT-IXDOHACOSA-N 2 2 345.491 1.953 50 0 EDAALP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnnn2-c2ccccc2)CC1 ZINC000075131282 441499675 /nfs/dbraw/zinc/49/96/75/441499675.db2.gz FIUFJHWJEZKJIZ-HNNXBMFYSA-N 2 2 344.463 1.187 50 0 EDAALP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnnn2-c2ccccc2)CC1 ZINC000075131282 441499680 /nfs/dbraw/zinc/49/96/80/441499680.db2.gz FIUFJHWJEZKJIZ-HNNXBMFYSA-N 2 2 344.463 1.187 50 0 EDAALP CC[N@@H+](CC(=O)N1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108764 441599733 /nfs/dbraw/zinc/59/97/33/441599733.db2.gz GWZQODQPUGUPJT-UHFFFAOYSA-N 2 2 346.475 1.479 50 0 EDAALP CC[N@H+](CC(=O)N1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108764 441599735 /nfs/dbraw/zinc/59/97/35/441599735.db2.gz GWZQODQPUGUPJT-UHFFFAOYSA-N 2 2 346.475 1.479 50 0 EDAALP C[N@@H+]1CC[C@]2(C1)CCCN(c1nc(N3CCC(O)CC3)cc[nH+]1)C2 ZINC000067741100 441675107 /nfs/dbraw/zinc/67/51/07/441675107.db2.gz YYTFEZCOCCMKLY-SFHVURJKSA-N 2 2 331.464 1.360 50 0 EDAALP C[N@H+]1CC[C@]2(C1)CCCN(c1nc(N3CCC(O)CC3)cc[nH+]1)C2 ZINC000067741100 441675111 /nfs/dbraw/zinc/67/51/11/441675111.db2.gz YYTFEZCOCCMKLY-SFHVURJKSA-N 2 2 331.464 1.360 50 0 EDAALP O=C(c1cn(CC[C@@H]2CCCC[NH2+]2)nn1)N1CCCn2c[nH+]cc2C1 ZINC000077320016 441754694 /nfs/dbraw/zinc/75/46/94/441754694.db2.gz SLGWWMDJKNGRFE-AWEZNQCLSA-N 2 2 343.435 1.053 50 0 EDAALP COc1ccc(C[N@H+](C)C[C@@]2(O)C[NH2+]CCOC2)c2cccnc12 ZINC000077522180 441796616 /nfs/dbraw/zinc/79/66/16/441796616.db2.gz YQAKLWDGAQCYGT-SFHVURJKSA-N 2 2 331.416 1.026 50 0 EDAALP COc1ccc(C[N@@H+](C)C[C@@]2(O)C[NH2+]CCOC2)c2cccnc12 ZINC000077522180 441796624 /nfs/dbraw/zinc/79/66/24/441796624.db2.gz YQAKLWDGAQCYGT-SFHVURJKSA-N 2 2 331.416 1.026 50 0 EDAALP COc1nccnc1N1CCC[C@H](c2[nH+]ccn2CC[NH+](C)C)C1 ZINC000095364240 441913674 /nfs/dbraw/zinc/91/36/74/441913674.db2.gz BFPRDMNFKCTPSO-AWEZNQCLSA-N 2 2 330.436 1.627 50 0 EDAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2cc(COC)n[nH]2)CC1 ZINC000095523564 441949142 /nfs/dbraw/zinc/94/91/42/441949142.db2.gz NBXHBPZOXIQJSO-UHFFFAOYSA-N 2 2 344.463 1.976 50 0 EDAALP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H](C)O1 ZINC000069628815 441996068 /nfs/dbraw/zinc/99/60/68/441996068.db2.gz LNUUACOLXLYYLI-OWCLPIDISA-N 2 2 338.496 1.412 50 0 EDAALP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H](C)O1 ZINC000069628815 441996070 /nfs/dbraw/zinc/99/60/70/441996070.db2.gz LNUUACOLXLYYLI-OWCLPIDISA-N 2 2 338.496 1.412 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H](C)O1 ZINC000069628815 441996073 /nfs/dbraw/zinc/99/60/73/441996073.db2.gz LNUUACOLXLYYLI-OWCLPIDISA-N 2 2 338.496 1.412 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)O1 ZINC000069628815 441996076 /nfs/dbraw/zinc/99/60/76/441996076.db2.gz LNUUACOLXLYYLI-OWCLPIDISA-N 2 2 338.496 1.412 50 0 EDAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000248906146 442936083 /nfs/dbraw/zinc/93/60/83/442936083.db2.gz UVPVOKKYKKTDAE-BPQIPLTHSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000248906146 442936086 /nfs/dbraw/zinc/93/60/86/442936086.db2.gz UVPVOKKYKKTDAE-BPQIPLTHSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000248906146 442936091 /nfs/dbraw/zinc/93/60/91/442936091.db2.gz UVPVOKKYKKTDAE-BPQIPLTHSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000248906146 442936092 /nfs/dbraw/zinc/93/60/92/442936092.db2.gz UVPVOKKYKKTDAE-BPQIPLTHSA-N 2 2 346.475 1.137 50 0 EDAALP Cc1noc(C)c1C[N@H+]1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000221372987 443070875 /nfs/dbraw/zinc/07/08/75/443070875.db2.gz YUZOGZQAXCRSAH-QGZVFWFLSA-N 2 2 333.436 1.489 50 0 EDAALP Cc1noc(C)c1C[N@@H+]1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000221372987 443070879 /nfs/dbraw/zinc/07/08/79/443070879.db2.gz YUZOGZQAXCRSAH-QGZVFWFLSA-N 2 2 333.436 1.489 50 0 EDAALP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000328586393 444387608 /nfs/dbraw/zinc/38/76/08/444387608.db2.gz MBBAKFFUQGPKQG-LJQANCHMSA-N 2 2 331.460 1.398 50 0 EDAALP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000328586393 444387610 /nfs/dbraw/zinc/38/76/10/444387610.db2.gz MBBAKFFUQGPKQG-LJQANCHMSA-N 2 2 331.460 1.398 50 0 EDAALP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCOCC1 ZINC000331722057 444484205 /nfs/dbraw/zinc/48/42/05/444484205.db2.gz UCXHUGCGGOISSB-DOTOQJQBSA-N 2 2 336.480 1.588 50 0 EDAALP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCOCC1 ZINC000331722057 444484208 /nfs/dbraw/zinc/48/42/08/444484208.db2.gz UCXHUGCGGOISSB-DOTOQJQBSA-N 2 2 336.480 1.588 50 0 EDAALP CCCn1cc[nH+]c1CNC(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426571550 447472776 /nfs/dbraw/zinc/47/27/76/447472776.db2.gz CSYCLMRHXZUTSQ-CQSZACIVSA-N 2 2 330.436 1.273 50 0 EDAALP Cc1[nH+]c2cc(CNC(=O)CN3CCC[N@H+](C)CC3)ccc2n1C ZINC000584896448 448669716 /nfs/dbraw/zinc/66/97/16/448669716.db2.gz UOWIJQKIOALKPH-UHFFFAOYSA-N 2 2 329.448 1.135 50 0 EDAALP Cc1[nH+]c2cc(CNC(=O)CN3CCC[N@@H+](C)CC3)ccc2n1C ZINC000584896448 448669717 /nfs/dbraw/zinc/66/97/17/448669717.db2.gz UOWIJQKIOALKPH-UHFFFAOYSA-N 2 2 329.448 1.135 50 0 EDAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)[nH]n1 ZINC000067785586 215211489 /nfs/dbraw/zinc/21/14/89/215211489.db2.gz UUSQUIYUPHBDBP-UHFFFAOYSA-N 2 2 341.419 1.784 50 0 EDAALP CC[NH+](CC)Cc1cnc2c(C(=O)NCc3[nH]cc[nH+]3)cnn2c1 ZINC000067818073 215219055 /nfs/dbraw/zinc/21/90/55/215219055.db2.gz NKFRVDBGVFFYHE-UHFFFAOYSA-N 2 2 327.392 1.224 50 0 EDAALP C[C@@H](CO)[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074385665 295980843 /nfs/dbraw/zinc/98/08/43/295980843.db2.gz FROMHAKMAYATTM-JKSUJKDBSA-N 2 2 340.512 1.253 50 0 EDAALP C[N@@H+]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000214979140 241099434 /nfs/dbraw/zinc/09/94/34/241099434.db2.gz SEEYGZCRTRRXQT-KRWDZBQOSA-N 2 2 331.460 1.911 50 0 EDAALP C[N@H+]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000214979140 241099439 /nfs/dbraw/zinc/09/94/39/241099439.db2.gz SEEYGZCRTRRXQT-KRWDZBQOSA-N 2 2 331.460 1.911 50 0 EDAALP C[C@@H]1CN(Cc2ccccc2OCC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000219063346 241361825 /nfs/dbraw/zinc/36/18/25/241361825.db2.gz HAAQLCJOVFORRL-SJORKVTESA-N 2 2 333.476 1.580 50 0 EDAALP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000020941790 212191331 /nfs/dbraw/zinc/19/13/31/212191331.db2.gz FAWQUNACTBKDTJ-SFHVURJKSA-N 2 2 331.460 1.096 50 0 EDAALP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000020941790 212191333 /nfs/dbraw/zinc/19/13/33/212191333.db2.gz FAWQUNACTBKDTJ-SFHVURJKSA-N 2 2 331.460 1.096 50 0 EDAALP Nc1[nH+]cccc1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000244707944 243064200 /nfs/dbraw/zinc/06/42/00/243064200.db2.gz KKPPHCJLTFZDLO-QGZVFWFLSA-N 2 2 340.427 1.571 50 0 EDAALP Nc1[nH+]cccc1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000244707944 243064205 /nfs/dbraw/zinc/06/42/05/243064205.db2.gz KKPPHCJLTFZDLO-QGZVFWFLSA-N 2 2 340.427 1.571 50 0 EDAALP Cc1cc(C)n(CC(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000012431721 211377766 /nfs/dbraw/zinc/37/77/66/211377766.db2.gz UCUYSPUCSZGUDB-INIZCTEOSA-N 2 2 333.480 1.175 50 0 EDAALP Cc1cc(C)n(CC(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000012431721 211377771 /nfs/dbraw/zinc/37/77/71/211377771.db2.gz UCUYSPUCSZGUDB-INIZCTEOSA-N 2 2 333.480 1.175 50 0 EDAALP Cc1cc(C)c(C(=O)N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c(=O)[nH]1 ZINC000091550617 218020348 /nfs/dbraw/zinc/02/03/48/218020348.db2.gz YCUYZRDHEQJFHK-MRXNPFEDSA-N 2 2 346.475 1.091 50 0 EDAALP Cc1cc(C)c(C(=O)N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)c(=O)[nH]1 ZINC000091550617 218020351 /nfs/dbraw/zinc/02/03/51/218020351.db2.gz YCUYZRDHEQJFHK-MRXNPFEDSA-N 2 2 346.475 1.091 50 0 EDAALP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccccc1F ZINC000095369592 218303040 /nfs/dbraw/zinc/30/30/40/218303040.db2.gz UYPJSAQJPBRZSV-GOSISDBHSA-N 2 2 349.450 1.752 50 0 EDAALP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1nncn1C1CCCC1 ZINC000299757852 258075797 /nfs/dbraw/zinc/07/57/97/258075797.db2.gz CMLIYHDNOTWPTA-CYBMUJFWSA-N 2 2 334.468 1.254 50 0 EDAALP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1nncn1C1CCCC1 ZINC000299757852 258075799 /nfs/dbraw/zinc/07/57/99/258075799.db2.gz CMLIYHDNOTWPTA-CYBMUJFWSA-N 2 2 334.468 1.254 50 0 EDAALP O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000051994361 132182673 /nfs/dbraw/zinc/18/26/73/132182673.db2.gz LHDHFVFDOFTWTM-DLBZAZTESA-N 2 2 344.459 1.374 50 0 EDAALP O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000051994361 132182674 /nfs/dbraw/zinc/18/26/74/132182674.db2.gz LHDHFVFDOFTWTM-DLBZAZTESA-N 2 2 344.459 1.374 50 0 EDAALP COc1ccc([C@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccccc2OC)cc1 ZINC000000250044 440809580 /nfs/dbraw/zinc/80/95/80/440809580.db2.gz PUONBOPCCZYLPL-HNNXBMFYSA-N 2 2 325.372 1.852 50 0 EDAALP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000058411573 441191998 /nfs/dbraw/zinc/19/19/98/441191998.db2.gz OUMZTDJWLWKNOK-SFHVURJKSA-N 2 2 349.475 1.468 50 0 EDAALP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000058411573 441192002 /nfs/dbraw/zinc/19/20/02/441192002.db2.gz OUMZTDJWLWKNOK-SFHVURJKSA-N 2 2 349.475 1.468 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000048314810 441291617 /nfs/dbraw/zinc/29/16/17/441291617.db2.gz NYHYNTAGKCYVHS-MRXNPFEDSA-N 2 2 343.431 1.354 50 0 EDAALP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000048314810 441291621 /nfs/dbraw/zinc/29/16/21/441291621.db2.gz NYHYNTAGKCYVHS-MRXNPFEDSA-N 2 2 343.431 1.354 50 0 EDAALP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](C)CO ZINC000074385667 441429783 /nfs/dbraw/zinc/42/97/83/441429783.db2.gz FROMHAKMAYATTM-HZPDHXFCSA-N 2 2 340.512 1.253 50 0 EDAALP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 ZINC000095967687 441963735 /nfs/dbraw/zinc/96/37/35/441963735.db2.gz NNBOPTVURRHATI-RHSMWYFYSA-N 2 2 339.505 1.697 50 0 EDAALP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 ZINC000095967687 441963738 /nfs/dbraw/zinc/96/37/38/441963738.db2.gz NNBOPTVURRHATI-RHSMWYFYSA-N 2 2 339.505 1.697 50 0 EDAALP Cc1cccc(NC2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)[nH+]1 ZINC000096483344 442140599 /nfs/dbraw/zinc/14/05/99/442140599.db2.gz LYRIAIYDNPSXHS-INIZCTEOSA-N 2 2 332.448 1.562 50 0 EDAALP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000156341109 442470454 /nfs/dbraw/zinc/47/04/54/442470454.db2.gz LQQGORZBEQPYLB-YJBOKZPZSA-N 2 2 331.460 1.718 50 0 EDAALP CC(C)Nc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nc(NCCO)[nH+]1 ZINC000252507532 443036843 /nfs/dbraw/zinc/03/68/43/443036843.db2.gz WNZKVBLEYXKPKR-KGLIPLIRSA-N 2 2 349.483 1.017 50 0 EDAALP CC(C)Nc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc(NCCO)[nH+]1 ZINC000252507532 443036847 /nfs/dbraw/zinc/03/68/47/443036847.db2.gz WNZKVBLEYXKPKR-KGLIPLIRSA-N 2 2 349.483 1.017 50 0 EDAALP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000252507532 443036850 /nfs/dbraw/zinc/03/68/50/443036850.db2.gz WNZKVBLEYXKPKR-KGLIPLIRSA-N 2 2 349.483 1.017 50 0 EDAALP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000252507532 443036854 /nfs/dbraw/zinc/03/68/54/443036854.db2.gz WNZKVBLEYXKPKR-KGLIPLIRSA-N 2 2 349.483 1.017 50 0 EDAALP CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000252507532 443036858 /nfs/dbraw/zinc/03/68/58/443036858.db2.gz WNZKVBLEYXKPKR-KGLIPLIRSA-N 2 2 349.483 1.017 50 0 EDAALP CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000252507532 443036862 /nfs/dbraw/zinc/03/68/62/443036862.db2.gz WNZKVBLEYXKPKR-KGLIPLIRSA-N 2 2 349.483 1.017 50 0 EDAALP COCCn1c(C[NH2+]Cc2c(C)noc2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223562960 443091242 /nfs/dbraw/zinc/09/12/42/443091242.db2.gz GAJTYYVARCISQN-JOCQHMNTSA-N 2 2 334.424 1.024 50 0 EDAALP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000237504417 443174780 /nfs/dbraw/zinc/17/47/80/443174780.db2.gz BMIZEZBNEAOXAV-FUHWJXTLSA-N 2 2 331.460 1.345 50 0 EDAALP O=C(N[C@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC000244899528 443216693 /nfs/dbraw/zinc/21/66/93/443216693.db2.gz ZLDUBYHUFGBZBF-UXLLHSPISA-N 2 2 328.416 1.203 50 0 EDAALP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C2 ZINC000377684438 447294745 /nfs/dbraw/zinc/29/47/45/447294745.db2.gz XEDASOIDZCZVMH-DOTOQJQBSA-N 2 2 334.464 1.227 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)NCCC[N@@H+]1CCC[C@H](O)C1 ZINC000426613632 447480343 /nfs/dbraw/zinc/48/03/43/447480343.db2.gz MXPWJMSFXGQTEB-HNNXBMFYSA-N 2 2 337.468 1.189 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000426613632 447480346 /nfs/dbraw/zinc/48/03/46/447480346.db2.gz MXPWJMSFXGQTEB-HNNXBMFYSA-N 2 2 337.468 1.189 50 0 EDAALP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523122 447675810 /nfs/dbraw/zinc/67/58/10/447675810.db2.gz HBIIJBBBZPZNOC-SJORKVTESA-N 2 2 348.491 1.448 50 0 EDAALP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523122 447675818 /nfs/dbraw/zinc/67/58/18/447675818.db2.gz HBIIJBBBZPZNOC-SJORKVTESA-N 2 2 348.491 1.448 50 0 EDAALP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523122 447675825 /nfs/dbraw/zinc/67/58/25/447675825.db2.gz HBIIJBBBZPZNOC-SJORKVTESA-N 2 2 348.491 1.448 50 0 EDAALP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523122 447675828 /nfs/dbraw/zinc/67/58/28/447675828.db2.gz HBIIJBBBZPZNOC-SJORKVTESA-N 2 2 348.491 1.448 50 0 EDAALP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653161500 453354605 /nfs/dbraw/zinc/35/46/05/453354605.db2.gz QGFXGUMATHTNGO-BZUAXINKSA-N 2 2 329.448 1.040 50 0 EDAALP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653161500 453354611 /nfs/dbraw/zinc/35/46/11/453354611.db2.gz QGFXGUMATHTNGO-BZUAXINKSA-N 2 2 329.448 1.040 50 0 EDAALP c1cn(CC2=CSC3=[NH+]CCN23)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000101137028 219116892 /nfs/dbraw/zinc/11/68/92/219116892.db2.gz QBTMQIPSPHERJU-UHFFFAOYSA-N 2 2 341.444 1.500 50 0 EDAALP O[C@H]1CCC[N@H+](Cc2cc3n(n2)CC[NH+](CCCn2cccc2)C3)C1 ZINC000072172524 216063073 /nfs/dbraw/zinc/06/30/73/216063073.db2.gz DXYPARZKTSDVSS-IBGZPJMESA-N 2 2 343.475 1.547 50 0 EDAALP O[C@H]1CCC[N@@H+](Cc2cc3n(n2)CC[NH+](CCCn2cccc2)C3)C1 ZINC000072172524 216063076 /nfs/dbraw/zinc/06/30/76/216063076.db2.gz DXYPARZKTSDVSS-IBGZPJMESA-N 2 2 343.475 1.547 50 0 EDAALP O[C@H]1CCC[NH+](Cc2cc3n(n2)CC[N@H+](CCCn2cccc2)C3)C1 ZINC000072172524 216063081 /nfs/dbraw/zinc/06/30/81/216063081.db2.gz DXYPARZKTSDVSS-IBGZPJMESA-N 2 2 343.475 1.547 50 0 EDAALP O[C@H]1CCC[NH+](Cc2cc3n(n2)CC[N@@H+](CCCn2cccc2)C3)C1 ZINC000072172524 216063083 /nfs/dbraw/zinc/06/30/83/216063083.db2.gz DXYPARZKTSDVSS-IBGZPJMESA-N 2 2 343.475 1.547 50 0 EDAALP C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000072274221 216097987 /nfs/dbraw/zinc/09/79/87/216097987.db2.gz WQPOJZCJQVWCTA-INIZCTEOSA-N 2 2 331.464 1.786 50 0 EDAALP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH+](C)CC2 ZINC000072423819 216212797 /nfs/dbraw/zinc/21/27/97/216212797.db2.gz LGJPWTXYTMMCAN-QGZVFWFLSA-N 3 2 347.507 1.586 50 0 EDAALP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCCn1cc[nH+]c1)CC[NH+](C)CC2 ZINC000072423819 216212800 /nfs/dbraw/zinc/21/28/00/216212800.db2.gz LGJPWTXYTMMCAN-QGZVFWFLSA-N 3 2 347.507 1.586 50 0 EDAALP O=C(CCCn1cc[nH+]c1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000219312962 241376557 /nfs/dbraw/zinc/37/65/57/241376557.db2.gz SHLMUXCXAPMRIR-KRWDZBQOSA-N 2 2 334.464 1.767 50 0 EDAALP Cc1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)o1 ZINC000093562041 218233260 /nfs/dbraw/zinc/23/32/60/218233260.db2.gz RFZUFCFWYLIUKT-UHFFFAOYSA-N 2 2 343.431 1.537 50 0 EDAALP CC[NH+]1CCC(CC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000095386240 218317605 /nfs/dbraw/zinc/31/76/05/218317605.db2.gz XZLBQBUMAWKNJM-UHFFFAOYSA-N 2 2 333.480 1.186 50 0 EDAALP COc1ccc([C@@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccccc2OC)cc1 ZINC000000250046 440809802 /nfs/dbraw/zinc/80/98/02/440809802.db2.gz PUONBOPCCZYLPL-OAHLLOKOSA-N 2 2 325.372 1.852 50 0 EDAALP C[C@H]1C[NH+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000044953479 440923891 /nfs/dbraw/zinc/92/38/91/440923891.db2.gz JYFUGOQQLHFLPU-GJZGRUSLSA-N 2 2 345.447 1.285 50 0 EDAALP COc1ccc2cc(C[NH2+]CC(=O)N3CC[NH+](C)CC3)ccc2c1 ZINC000071837128 441165122 /nfs/dbraw/zinc/16/51/22/441165122.db2.gz JWVNYGXEKLLVKH-UHFFFAOYSA-N 2 2 327.428 1.712 50 0 EDAALP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000071871059 441176986 /nfs/dbraw/zinc/17/69/86/441176986.db2.gz JARFCCSUMQVYQO-AWEZNQCLSA-N 2 2 330.432 1.124 50 0 EDAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(n4cccn4)C3)c2cc1C ZINC000071877102 441179896 /nfs/dbraw/zinc/17/98/96/441179896.db2.gz HDJVWUPTAHXISP-MRXNPFEDSA-N 2 2 325.416 1.767 50 0 EDAALP Cc1nn(C)c(N(C)C)c1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000058393341 441188927 /nfs/dbraw/zinc/18/89/27/441188927.db2.gz BUKWRNGBBUZSLQ-UHFFFAOYSA-N 2 2 342.491 1.944 50 0 EDAALP COc1c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)nn1C ZINC000058393507 441189263 /nfs/dbraw/zinc/18/92/63/441189263.db2.gz NOJTYSMDPBHMJG-UHFFFAOYSA-N 2 2 329.448 1.886 50 0 EDAALP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000071803072 441157220 /nfs/dbraw/zinc/15/72/20/441157220.db2.gz MWXSCABZPAJMSZ-KRWDZBQOSA-N 2 2 337.439 1.345 50 0 EDAALP Cc1[nH+]cccc1-n1cccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000064839228 441393952 /nfs/dbraw/zinc/39/39/52/441393952.db2.gz JEZMWWOFLDEOGP-UHFFFAOYSA-N 2 2 328.416 1.633 50 0 EDAALP CC(C)c1nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)no1 ZINC000106965048 441395090 /nfs/dbraw/zinc/39/50/90/441395090.db2.gz FXWRFWAQMBXJEA-HNNXBMFYSA-N 2 2 337.468 1.160 50 0 EDAALP CC(C)c1nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)no1 ZINC000106965048 441395092 /nfs/dbraw/zinc/39/50/92/441395092.db2.gz FXWRFWAQMBXJEA-HNNXBMFYSA-N 2 2 337.468 1.160 50 0 EDAALP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000065429022 441431645 /nfs/dbraw/zinc/43/16/45/441431645.db2.gz NNIRUXYLQXRKOP-INIZCTEOSA-N 2 2 345.422 1.996 50 0 EDAALP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000065429022 441431647 /nfs/dbraw/zinc/43/16/47/441431647.db2.gz NNIRUXYLQXRKOP-INIZCTEOSA-N 2 2 345.422 1.996 50 0 EDAALP CCc1[nH+]ccn1CCCNC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000065470698 441440598 /nfs/dbraw/zinc/44/05/98/441440598.db2.gz VJNBVXXPFPCJSY-UHFFFAOYSA-N 2 2 330.436 1.298 50 0 EDAALP CCc1[nH+]ccn1CCCNC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000065470698 441440601 /nfs/dbraw/zinc/44/06/01/441440601.db2.gz VJNBVXXPFPCJSY-UHFFFAOYSA-N 2 2 330.436 1.298 50 0 EDAALP Cc1ccc2[nH]c(CCCNC(=O)[C@@H]3C[C@H]([NH3+])CN3C)[nH+]c2c1C ZINC000067642701 441662094 /nfs/dbraw/zinc/66/20/94/441662094.db2.gz AHCNIAWVCBLUAM-ZFWWWQNUSA-N 2 2 329.448 1.260 50 0 EDAALP CC[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000095965772 441963630 /nfs/dbraw/zinc/96/36/30/441963630.db2.gz QFJRBDCTMYOXSE-WBVHZDCISA-N 2 2 332.448 1.976 50 0 EDAALP CC[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000095965772 441963636 /nfs/dbraw/zinc/96/36/36/441963636.db2.gz QFJRBDCTMYOXSE-WBVHZDCISA-N 2 2 332.448 1.976 50 0 EDAALP O=S1(=O)CC[C@H]([NH2+]Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000069809321 442044189 /nfs/dbraw/zinc/04/41/89/442044189.db2.gz LLSMZDUUYIJZFQ-HNNXBMFYSA-N 2 2 335.429 1.239 50 0 EDAALP Cc1nc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)no1 ZINC000096424695 442125327 /nfs/dbraw/zinc/12/53/27/442125327.db2.gz AAGINWHCGHJSPY-UHFFFAOYSA-N 2 2 337.468 1.294 50 0 EDAALP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247956948 442874320 /nfs/dbraw/zinc/87/43/20/442874320.db2.gz DDZIVHUEIHMLJV-KONPQCLYSA-N 2 2 333.476 1.903 50 0 EDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237607993 443177407 /nfs/dbraw/zinc/17/74/07/443177407.db2.gz BRYQYIGPNAQIIW-SZMVWBNQSA-N 2 2 346.475 1.856 50 0 EDAALP CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000244724392 443213855 /nfs/dbraw/zinc/21/38/55/443213855.db2.gz MSYXPNLHMIUUID-SFHVURJKSA-N 2 2 346.475 1.677 50 0 EDAALP CC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000244724392 443213859 /nfs/dbraw/zinc/21/38/59/443213859.db2.gz MSYXPNLHMIUUID-SFHVURJKSA-N 2 2 346.475 1.677 50 0 EDAALP CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000584890326 448666922 /nfs/dbraw/zinc/66/69/22/448666922.db2.gz PMMURMRGVFFXNF-INIZCTEOSA-N 2 2 330.432 1.492 50 0 EDAALP CC(C)[N@H+]1CCO[C@@H](CC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000584890326 448666925 /nfs/dbraw/zinc/66/69/25/448666925.db2.gz PMMURMRGVFFXNF-INIZCTEOSA-N 2 2 330.432 1.492 50 0 EDAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102572584 219211481 /nfs/dbraw/zinc/21/14/81/219211481.db2.gz LAKWYYDJEWRQDV-ZSHCYNCHSA-N 3 2 332.496 1.004 50 0 EDAALP O=C(N[C@@H]1CC[NH2+]C1)c1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2 ZINC000067885486 215240554 /nfs/dbraw/zinc/24/05/54/215240554.db2.gz LUEKDGIMCLPVRV-MRXNPFEDSA-N 2 2 339.443 1.381 50 0 EDAALP O=C(N[C@@H]1CC[NH2+]C1)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000067885486 215240557 /nfs/dbraw/zinc/24/05/57/215240557.db2.gz LUEKDGIMCLPVRV-MRXNPFEDSA-N 2 2 339.443 1.381 50 0 EDAALP c1c(C[NH+]2CCC(OCc3ccccn3)CC2)nn2c1C[NH2+]CCC2 ZINC000072158481 216048440 /nfs/dbraw/zinc/04/84/40/216048440.db2.gz HVRWZPKLJDJFEE-UHFFFAOYSA-N 2 2 341.459 1.953 50 0 EDAALP CCN(c1ccccc1)C1=[NH+][C@]2(NC(=[NH2+])N1)c1ccccc1N(C)C2=O ZINC000019325494 212016266 /nfs/dbraw/zinc/01/62/66/212016266.db2.gz CDXWENUNORFRAJ-LJQANCHMSA-N 2 2 348.410 1.616 50 0 EDAALP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000091623225 218033224 /nfs/dbraw/zinc/03/32/24/218033224.db2.gz YZCWMPUJIMNNLY-KRWDZBQOSA-N 2 2 332.448 1.733 50 0 EDAALP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000091623225 218033227 /nfs/dbraw/zinc/03/32/27/218033227.db2.gz YZCWMPUJIMNNLY-KRWDZBQOSA-N 2 2 332.448 1.733 50 0 EDAALP Cc1nc(C[N@@H+]2CC[C@@H](Nc3cc(C)[nH+]c(N)n3)[C@H](O)C2)cs1 ZINC000299758866 258075784 /nfs/dbraw/zinc/07/57/84/258075784.db2.gz LDNQOHBLFGYZMS-CHWSQXEVSA-N 2 2 334.449 1.179 50 0 EDAALP Cc1nc(C[N@H+]2CC[C@@H](Nc3cc(C)[nH+]c(N)n3)[C@H](O)C2)cs1 ZINC000299758866 258075785 /nfs/dbraw/zinc/07/57/85/258075785.db2.gz LDNQOHBLFGYZMS-CHWSQXEVSA-N 2 2 334.449 1.179 50 0 EDAALP C[N@@H+]1CCCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000426370217 447426965 /nfs/dbraw/zinc/42/69/65/447426965.db2.gz WKQBZENHIDZIQV-QGZVFWFLSA-N 2 2 327.432 1.972 50 0 EDAALP C[N@H+]1CCCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000426370217 447426969 /nfs/dbraw/zinc/42/69/69/447426969.db2.gz WKQBZENHIDZIQV-QGZVFWFLSA-N 2 2 327.432 1.972 50 0 EDAALP CCC[N@H+](C)Cc1nc2nc(C)cc(N3CC[NH+](CC)CC3)n2n1 ZINC000065311654 441416060 /nfs/dbraw/zinc/41/60/60/441416060.db2.gz DMFQBUACCHPEGA-UHFFFAOYSA-N 2 2 331.468 1.416 50 0 EDAALP CCC[N@@H+](C)Cc1nc2nc(C)cc(N3CC[NH+](CC)CC3)n2n1 ZINC000065311654 441416063 /nfs/dbraw/zinc/41/60/63/441416063.db2.gz DMFQBUACCHPEGA-UHFFFAOYSA-N 2 2 331.468 1.416 50 0 EDAALP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOc1ccccc1 ZINC000075131999 441499763 /nfs/dbraw/zinc/49/97/63/441499763.db2.gz PDWFORXAMTUHKR-HKUYNNGSSA-N 2 2 333.476 1.402 50 0 EDAALP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOc1ccccc1 ZINC000075131999 441499767 /nfs/dbraw/zinc/49/97/67/441499767.db2.gz PDWFORXAMTUHKR-HKUYNNGSSA-N 2 2 333.476 1.402 50 0 EDAALP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOc1ccccc1 ZINC000075131999 441499770 /nfs/dbraw/zinc/49/97/70/441499770.db2.gz PDWFORXAMTUHKR-HKUYNNGSSA-N 2 2 333.476 1.402 50 0 EDAALP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOc1ccccc1 ZINC000075131999 441499771 /nfs/dbraw/zinc/49/97/71/441499771.db2.gz PDWFORXAMTUHKR-HKUYNNGSSA-N 2 2 333.476 1.402 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000077440575 441781027 /nfs/dbraw/zinc/78/10/27/441781027.db2.gz VVLCGUAWAQZDGS-AWEZNQCLSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000077440575 441781034 /nfs/dbraw/zinc/78/10/34/441781034.db2.gz VVLCGUAWAQZDGS-AWEZNQCLSA-N 2 2 329.452 1.514 50 0 EDAALP CCCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000069776353 442038061 /nfs/dbraw/zinc/03/80/61/442038061.db2.gz UQLZQZHKCZBTRQ-UHFFFAOYSA-N 2 2 346.475 1.819 50 0 EDAALP CCCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000069776353 442038068 /nfs/dbraw/zinc/03/80/68/442038068.db2.gz UQLZQZHKCZBTRQ-UHFFFAOYSA-N 2 2 346.475 1.819 50 0 EDAALP C[NH+]1CCN(c2cc(-c3ccc(-n4cccn4)cc3)[nH+]c(N)n2)CC1 ZINC000097217521 442187469 /nfs/dbraw/zinc/18/74/69/442187469.db2.gz XWZFEWKNBSOAEA-UHFFFAOYSA-N 2 2 335.415 1.663 50 0 EDAALP C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000156957076 442536927 /nfs/dbraw/zinc/53/69/27/442536927.db2.gz CXBMKDSBCLFHIJ-MAUKXSAKSA-N 2 2 331.460 1.718 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000246987391 442826394 /nfs/dbraw/zinc/82/63/94/442826394.db2.gz ATWACOBIRPXFNZ-IRXDYDNUSA-N 2 2 347.507 1.726 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000246987391 442826397 /nfs/dbraw/zinc/82/63/97/442826397.db2.gz ATWACOBIRPXFNZ-IRXDYDNUSA-N 2 2 347.507 1.726 50 0 EDAALP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000252504738 443035897 /nfs/dbraw/zinc/03/58/97/443035897.db2.gz FBJSUVXAJHTPMA-OTWHNJEPSA-N 2 2 345.487 1.737 50 0 EDAALP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000252504738 443035901 /nfs/dbraw/zinc/03/59/01/443035901.db2.gz FBJSUVXAJHTPMA-OTWHNJEPSA-N 2 2 345.487 1.737 50 0 EDAALP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC000237755496 443181824 /nfs/dbraw/zinc/18/18/24/443181824.db2.gz TXAYVUMLMHLZRU-MPGHIAIKSA-N 2 2 342.443 1.437 50 0 EDAALP Cn1nnc(C[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000283344915 443608229 /nfs/dbraw/zinc/60/82/29/443608229.db2.gz ZXHMGXBUDDIAHY-LBPRGKRZSA-N 2 2 333.465 1.153 50 0 EDAALP Cn1nnc(C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000283344915 443608232 /nfs/dbraw/zinc/60/82/32/443608232.db2.gz ZXHMGXBUDDIAHY-LBPRGKRZSA-N 2 2 333.465 1.153 50 0 EDAALP C[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)[NH+]1CCCCC1 ZINC000426641417 447483784 /nfs/dbraw/zinc/48/37/84/447483784.db2.gz SNNBMYMPNMEBJD-INIZCTEOSA-N 2 2 331.460 1.911 50 0 EDAALP CC[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3CO)CC2)C1 ZINC000055413299 214321500 /nfs/dbraw/zinc/32/15/00/214321500.db2.gz UDXBCQGPZLCNAU-KRWDZBQOSA-N 2 2 331.460 1.165 50 0 EDAALP CC[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3CO)CC2)C1 ZINC000055413299 214321502 /nfs/dbraw/zinc/32/15/02/214321502.db2.gz UDXBCQGPZLCNAU-KRWDZBQOSA-N 2 2 331.460 1.165 50 0 EDAALP O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097785315 219056577 /nfs/dbraw/zinc/05/65/77/219056577.db2.gz OFSMZLAOMUWCIW-UHFFFAOYSA-N 2 2 336.399 1.697 50 0 EDAALP CC1(C(=O)N2CC[N@H+](Cc3cccc(F)c3)C[C@H](O)C2)CC[NH2+]CC1 ZINC000097805619 219057744 /nfs/dbraw/zinc/05/77/44/219057744.db2.gz HASYOMOJEILJBZ-KRWDZBQOSA-N 2 2 349.450 1.221 50 0 EDAALP CC1(C(=O)N2CC[N@@H+](Cc3cccc(F)c3)C[C@H](O)C2)CC[NH2+]CC1 ZINC000097805619 219057746 /nfs/dbraw/zinc/05/77/46/219057746.db2.gz HASYOMOJEILJBZ-KRWDZBQOSA-N 2 2 349.450 1.221 50 0 EDAALP O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]CCc1c[nH+]c[nH]1 ZINC000067955747 215259281 /nfs/dbraw/zinc/25/92/81/215259281.db2.gz NGAVMGJQUFFCDM-LJQANCHMSA-N 2 2 342.443 1.138 50 0 EDAALP O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]CCc1c[nH]c[nH+]1 ZINC000067955747 215259285 /nfs/dbraw/zinc/25/92/85/215259285.db2.gz NGAVMGJQUFFCDM-LJQANCHMSA-N 2 2 342.443 1.138 50 0 EDAALP Nc1nc2c(c(NCc3[nH+]ccn3Cc3ccccc3)n1)CC[NH2+]CC2 ZINC000072421670 216209859 /nfs/dbraw/zinc/20/98/59/216209859.db2.gz OEIWIBGSJDGHHA-UHFFFAOYSA-N 2 2 349.442 1.604 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000072436730 216232913 /nfs/dbraw/zinc/23/29/13/216232913.db2.gz YTZVGHYZNFEJLP-CQSZACIVSA-N 2 2 348.495 1.244 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072481272 216262071 /nfs/dbraw/zinc/26/20/71/216262071.db2.gz YBLIUAQSSCWWKI-HNNXBMFYSA-N 2 2 347.507 1.894 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072481272 216262073 /nfs/dbraw/zinc/26/20/73/216262073.db2.gz YBLIUAQSSCWWKI-HNNXBMFYSA-N 2 2 347.507 1.894 50 0 EDAALP C[NH+]1CCC(CNC(=O)NCC(C)(C)O)([NH+]2CCCCC2)CC1 ZINC000074768009 216516367 /nfs/dbraw/zinc/51/63/67/216516367.db2.gz RDTGMISJNFWHGM-UHFFFAOYSA-N 2 2 326.485 1.007 50 0 EDAALP C[NH+](C)CCCOc1cccc(C[N@@H+]2CCc3n[nH]c(CO)c3C2)c1 ZINC000215523986 241132128 /nfs/dbraw/zinc/13/21/28/241132128.db2.gz NGZJTIBSMUGLNP-UHFFFAOYSA-N 2 2 344.459 1.791 50 0 EDAALP C[NH+](C)CCCOc1cccc(C[N@H+]2CCc3n[nH]c(CO)c3C2)c1 ZINC000215523986 241132132 /nfs/dbraw/zinc/13/21/32/241132132.db2.gz NGZJTIBSMUGLNP-UHFFFAOYSA-N 2 2 344.459 1.791 50 0 EDAALP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000229398001 242163551 /nfs/dbraw/zinc/16/35/51/242163551.db2.gz IUYGKDIDZSFENH-WOJBJXKFSA-N 2 2 347.503 1.447 50 0 EDAALP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000229398001 242163553 /nfs/dbraw/zinc/16/35/53/242163553.db2.gz IUYGKDIDZSFENH-WOJBJXKFSA-N 2 2 347.503 1.447 50 0 EDAALP Cc1[nH+]ccn1CC1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000244874445 243095665 /nfs/dbraw/zinc/09/56/65/243095665.db2.gz XBJXHBMHXQTHLY-BETUJISGSA-N 3 2 327.436 1.661 50 0 EDAALP COc1ccc(C[NH+]2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc1F ZINC000237298541 139046891 /nfs/dbraw/zinc/04/68/91/139046891.db2.gz DESQPGRTPUCPRR-UHFFFAOYSA-N 2 2 335.423 1.478 50 0 EDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000091574197 218023645 /nfs/dbraw/zinc/02/36/45/218023645.db2.gz QPXVLRRVJPQXDD-KRWDZBQOSA-N 2 2 330.407 1.900 50 0 EDAALP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC000093257014 218207544 /nfs/dbraw/zinc/20/75/44/218207544.db2.gz KHSQHBYYSAMFFG-UHFFFAOYSA-N 2 2 349.450 1.581 50 0 EDAALP C[NH+](C)C1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCC1 ZINC000095418273 218357282 /nfs/dbraw/zinc/35/72/82/218357282.db2.gz HVNGKBADJVNZOJ-MSOLQXFVSA-N 2 2 343.471 1.583 50 0 EDAALP C[NH+](C)C1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCC1 ZINC000095418273 218357283 /nfs/dbraw/zinc/35/72/83/218357283.db2.gz HVNGKBADJVNZOJ-MSOLQXFVSA-N 2 2 343.471 1.583 50 0 EDAALP Cc1[nH]c2ccc(CC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2[nH+]1 ZINC000299768370 258082868 /nfs/dbraw/zinc/08/28/68/258082868.db2.gz IYURFIBNXKZVJI-MRXNPFEDSA-N 2 2 344.459 1.983 50 0 EDAALP Cc1[nH]c2cc(CC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc2[nH+]1 ZINC000299768370 258082870 /nfs/dbraw/zinc/08/28/70/258082870.db2.gz IYURFIBNXKZVJI-MRXNPFEDSA-N 2 2 344.459 1.983 50 0 EDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000058393372 441189061 /nfs/dbraw/zinc/18/90/61/441189061.db2.gz QJZOPNJHVMDEDG-OAHLLOKOSA-N 2 2 337.512 1.546 50 0 EDAALP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014967117 441192514 /nfs/dbraw/zinc/19/25/14/441192514.db2.gz ZBGGVWLLDUVGKU-INIZCTEOSA-N 2 2 339.505 1.723 50 0 EDAALP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014967117 441192518 /nfs/dbraw/zinc/19/25/18/441192518.db2.gz ZBGGVWLLDUVGKU-INIZCTEOSA-N 2 2 339.505 1.723 50 0 EDAALP C[C@@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000089900984 441592235 /nfs/dbraw/zinc/59/22/35/441592235.db2.gz RZRODTKCLHWKAK-ZFWWWQNUSA-N 2 2 340.493 1.371 50 0 EDAALP CCOc1ccc(Cl)cc1C[N@H+](C)C[C@]1(O)C[NH2+]CCOC1 ZINC000077287880 441748085 /nfs/dbraw/zinc/74/80/85/441748085.db2.gz ZCAHUGCZJVOWJQ-MRXNPFEDSA-N 2 2 328.840 1.521 50 0 EDAALP CCOc1ccc(Cl)cc1C[N@@H+](C)C[C@]1(O)C[NH2+]CCOC1 ZINC000077287880 441748089 /nfs/dbraw/zinc/74/80/89/441748089.db2.gz ZCAHUGCZJVOWJQ-MRXNPFEDSA-N 2 2 328.840 1.521 50 0 EDAALP CCc1ccccc1OCC[N@@H+]1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077379557 441768078 /nfs/dbraw/zinc/76/80/78/441768078.db2.gz QZEASGVURMJGSP-FQEVSTJZSA-N 2 2 348.487 1.787 50 0 EDAALP CCc1ccccc1OCC[N@H+]1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077379557 441768082 /nfs/dbraw/zinc/76/80/82/441768082.db2.gz QZEASGVURMJGSP-FQEVSTJZSA-N 2 2 348.487 1.787 50 0 EDAALP OC1CCN(c2cc(N3CCC[N@@H+](C4CCCC4)CC3)nc[nH+]2)CC1 ZINC000095503164 441940082 /nfs/dbraw/zinc/94/00/82/441940082.db2.gz SPGFHUNPIQASFN-UHFFFAOYSA-N 2 2 345.491 1.892 50 0 EDAALP OC1CCN(c2cc(N3CCC[N@H+](C4CCCC4)CC3)nc[nH+]2)CC1 ZINC000095503164 441940086 /nfs/dbraw/zinc/94/00/86/441940086.db2.gz SPGFHUNPIQASFN-UHFFFAOYSA-N 2 2 345.491 1.892 50 0 EDAALP C[N@@H+]1CCN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C[C@H]1CO ZINC000225347713 443100032 /nfs/dbraw/zinc/10/00/32/443100032.db2.gz CCRICCLZECCWPI-SFHVURJKSA-N 2 2 344.459 1.461 50 0 EDAALP C[N@H+]1CCN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C[C@H]1CO ZINC000225347713 443100036 /nfs/dbraw/zinc/10/00/36/443100036.db2.gz CCRICCLZECCWPI-SFHVURJKSA-N 2 2 344.459 1.461 50 0 EDAALP CN1CC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C[C@H]1CO ZINC000225347713 443100040 /nfs/dbraw/zinc/10/00/40/443100040.db2.gz CCRICCLZECCWPI-SFHVURJKSA-N 2 2 344.459 1.461 50 0 EDAALP CN1CC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C[C@H]1CO ZINC000225347713 443100043 /nfs/dbraw/zinc/10/00/43/443100043.db2.gz CCRICCLZECCWPI-SFHVURJKSA-N 2 2 344.459 1.461 50 0 EDAALP CCN1CCO[C@H](C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000229559787 443129938 /nfs/dbraw/zinc/12/99/38/443129938.db2.gz GNMIRJBAYMLUCC-IAGOWNOFSA-N 2 2 346.475 1.324 50 0 EDAALP O=C(Cc1c[nH+]c2ccccn12)N1CC[NH+](C2CCSCC2)CC1 ZINC000299764514 444137525 /nfs/dbraw/zinc/13/75/25/444137525.db2.gz ABETXUURSHQLDP-UHFFFAOYSA-N 2 2 344.484 1.917 50 0 EDAALP CN(Cc1[nH]cc[nH+]1)c1nc(-c2ccccn2)nc2c1CC[NH2+]CC2 ZINC000072475672 216252390 /nfs/dbraw/zinc/25/23/90/216252390.db2.gz STIDNJHBAWBLFZ-UHFFFAOYSA-N 2 2 335.415 1.586 50 0 EDAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000230089575 242229397 /nfs/dbraw/zinc/22/93/97/242229397.db2.gz ZXMRLUCFMUHXBO-YZGWKJHDSA-N 2 2 347.503 1.495 50 0 EDAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000230089575 242229403 /nfs/dbraw/zinc/22/94/03/242229403.db2.gz ZXMRLUCFMUHXBO-YZGWKJHDSA-N 2 2 347.503 1.495 50 0 EDAALP COc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000011842456 211256028 /nfs/dbraw/zinc/25/60/28/211256028.db2.gz KNBSGCGTLDOUHW-MRXNPFEDSA-N 2 2 331.460 1.984 50 0 EDAALP COc1cccc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000011842456 211256031 /nfs/dbraw/zinc/25/60/31/211256031.db2.gz KNBSGCGTLDOUHW-MRXNPFEDSA-N 2 2 331.460 1.984 50 0 EDAALP Cc1cc(N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)nc[nH+]1 ZINC000091663050 218042241 /nfs/dbraw/zinc/04/22/41/218042241.db2.gz YVWVVHBHCCKENK-UHFFFAOYSA-N 2 2 345.491 1.946 50 0 EDAALP COCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2F)[NH+](C)C)CC1 ZINC000091831025 218073139 /nfs/dbraw/zinc/07/31/39/218073139.db2.gz MQAIZACBTFPMMO-QGZVFWFLSA-N 2 2 337.439 1.609 50 0 EDAALP CSCCC[N@@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000092064760 218113375 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C[C@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000089900989 441592775 /nfs/dbraw/zinc/59/27/75/441592775.db2.gz RZRODTKCLHWKAK-UKRRQHHQSA-N 2 2 340.493 1.371 50 0 EDAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000095943116 441955762 /nfs/dbraw/zinc/95/57/62/441955762.db2.gz MSMBPBSOTYUIHD-RDJZCZTQSA-N 2 2 327.432 1.703 50 0 EDAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000095943116 441955768 /nfs/dbraw/zinc/95/57/68/441955768.db2.gz MSMBPBSOTYUIHD-RDJZCZTQSA-N 2 2 327.432 1.703 50 0 EDAALP Cn1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(=O)n(C)c1=O ZINC000069655677 442003095 /nfs/dbraw/zinc/00/30/95/442003095.db2.gz NZJICTMAAUROHY-INIZCTEOSA-N 2 2 348.491 1.172 50 0 EDAALP Cn1c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(=O)n(C)c1=O ZINC000069655677 442003103 /nfs/dbraw/zinc/00/31/03/442003103.db2.gz NZJICTMAAUROHY-INIZCTEOSA-N 2 2 348.491 1.172 50 0 EDAALP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCSC(C)(C)C2)CC1 ZINC000096485467 442141594 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1.782 50 0 EDAALP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC000237605269 443176726 /nfs/dbraw/zinc/17/67/26/443176726.db2.gz TXAYVUMLMHLZRU-RKVPGOIHSA-N 2 2 342.443 1.437 50 0 EDAALP Cc1ccc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)nc1 ZINC000241157286 443205791 /nfs/dbraw/zinc/20/57/91/443205791.db2.gz JWLDQBORTPELNK-UHFFFAOYSA-N 2 2 333.480 1.557 50 0 EDAALP Cc1cc(C)c(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c[nH+]1 ZINC000244594311 443212512 /nfs/dbraw/zinc/21/25/12/443212512.db2.gz DKSSRKUOJQOWBT-GASCZTMLSA-N 2 2 328.420 1.662 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)NCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000426613633 447480380 /nfs/dbraw/zinc/48/03/80/447480380.db2.gz MXPWJMSFXGQTEB-OAHLLOKOSA-N 2 2 337.468 1.189 50 0 EDAALP CCCN(Cc1[nH+]ccn1C)C(=O)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000426613633 447480383 /nfs/dbraw/zinc/48/03/83/447480383.db2.gz MXPWJMSFXGQTEB-OAHLLOKOSA-N 2 2 337.468 1.189 50 0 EDAALP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)CNS(=O)(=O)C3CC3)[nH]c21 ZINC000584895241 448667982 /nfs/dbraw/zinc/66/79/82/448667982.db2.gz IPPQEEVRXXGJCO-LBPRGKRZSA-N 2 2 336.461 1.474 50 0 EDAALP Cc1cccc2[nH]c(CC[NH2+][C@@H](C)CNS(=O)(=O)C3CC3)[nH+]c21 ZINC000584895241 448667988 /nfs/dbraw/zinc/66/79/88/448667988.db2.gz IPPQEEVRXXGJCO-LBPRGKRZSA-N 2 2 336.461 1.474 50 0 EDAALP C[N@H+](CC(=O)N[C@H](Cn1cccn1)c1ccccc1)C1CC[NH2+]CC1 ZINC000670441601 486519067 /nfs/dbraw/zinc/51/90/67/486519067.db2.gz LXQODBVXKDGNKD-GOSISDBHSA-N 2 2 341.459 1.424 50 0 EDAALP C[N@@H+](CC(=O)N[C@H](Cn1cccn1)c1ccccc1)C1CC[NH2+]CC1 ZINC000670441601 486519070 /nfs/dbraw/zinc/51/90/70/486519070.db2.gz LXQODBVXKDGNKD-GOSISDBHSA-N 2 2 341.459 1.424 50 0 EDAALP CCNC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000216219162 535392864 /nfs/dbraw/zinc/39/28/64/535392864.db2.gz VDSHPRBMXRJVSH-QGZVFWFLSA-N 2 2 342.443 1.920 50 0 EDAALP CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3)cc2)C1 ZINC000216219162 535392870 /nfs/dbraw/zinc/39/28/70/535392870.db2.gz VDSHPRBMXRJVSH-QGZVFWFLSA-N 2 2 342.443 1.920 50 0 EDAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCn2c(=O)cc(C)[nH]c2=O)C1 ZINC000253536606 536118626 /nfs/dbraw/zinc/11/86/26/536118626.db2.gz XVNRYGXCLFXPBJ-CQSZACIVSA-N 2 2 331.420 1.353 50 0 EDAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCn2c(=O)cc(C)[nH]c2=O)C1 ZINC000253536606 536118629 /nfs/dbraw/zinc/11/86/29/536118629.db2.gz XVNRYGXCLFXPBJ-CQSZACIVSA-N 2 2 331.420 1.353 50 0 EDAALP C[C@H](O)CNC(=O)N[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050135253 214046377 /nfs/dbraw/zinc/04/63/77/214046377.db2.gz MUABRXSOARIXMC-MAUKXSAKSA-N 2 2 348.491 1.434 50 0 EDAALP C[C@H](O)CNC(=O)N[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050135253 214046379 /nfs/dbraw/zinc/04/63/79/214046379.db2.gz MUABRXSOARIXMC-MAUKXSAKSA-N 2 2 348.491 1.434 50 0 EDAALP CC[C@H](C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1)n1cccn1 ZINC000067757184 215204837 /nfs/dbraw/zinc/20/48/37/215204837.db2.gz XUZLYWMEWHBMFO-MRXNPFEDSA-N 2 2 333.480 1.463 50 0 EDAALP CC[C@H](C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1)n1cccn1 ZINC000067757184 215204840 /nfs/dbraw/zinc/20/48/40/215204840.db2.gz XUZLYWMEWHBMFO-MRXNPFEDSA-N 2 2 333.480 1.463 50 0 EDAALP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)c3[nH]cc[nH+]3)cnn2c1 ZINC000067785332 215212540 /nfs/dbraw/zinc/21/25/40/215212540.db2.gz NSKGYQONOWALJT-GFCCVEGCSA-N 2 2 341.419 1.785 50 0 EDAALP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067894256 215242693 /nfs/dbraw/zinc/24/26/93/215242693.db2.gz DMQKDCUPNCXGTE-INIZCTEOSA-N 2 2 333.476 1.667 50 0 EDAALP CC[C@H](O)C[NH+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000072268902 216088323 /nfs/dbraw/zinc/08/83/23/216088323.db2.gz ZQZXYWCFEXNQFU-HNNXBMFYSA-N 2 2 330.432 1.260 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000072430667 216223038 /nfs/dbraw/zinc/22/30/38/216223038.db2.gz WCUFJKSKLWRKAZ-HNNXBMFYSA-N 3 2 334.512 1.718 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000072430667 216223044 /nfs/dbraw/zinc/22/30/44/216223044.db2.gz WCUFJKSKLWRKAZ-HNNXBMFYSA-N 3 2 334.512 1.718 50 0 EDAALP CCc1cccc(OCC[N@H+](C)[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@@H]2O)c1 ZINC000072474326 216251811 /nfs/dbraw/zinc/25/18/11/216251811.db2.gz ROZDYBQQAZUFJW-ROUUACIJSA-N 2 2 344.459 1.528 50 0 EDAALP CCc1cccc(OCC[N@@H+](C)[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@@H]2O)c1 ZINC000072474326 216251815 /nfs/dbraw/zinc/25/18/15/216251815.db2.gz ROZDYBQQAZUFJW-ROUUACIJSA-N 2 2 344.459 1.528 50 0 EDAALP Cc1ccc2[nH+]c(CNC(=O)CC[C@@H](C)[NH+]3CCOCC3)cn2c1 ZINC000219571333 241397322 /nfs/dbraw/zinc/39/73/22/241397322.db2.gz LRXUDNXAKFZWIV-OAHLLOKOSA-N 2 2 330.432 1.760 50 0 EDAALP COc1cc2[nH+]c(N3CCC[C@@H]([NH+](C)C)C3)nc(N)c2cc1OC ZINC000078617820 217089105 /nfs/dbraw/zinc/08/91/05/217089105.db2.gz YNYSGMMDIDQTEM-LLVKDONJSA-N 2 2 331.420 1.760 50 0 EDAALP CCCc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)nc(C)[nH+]1 ZINC000095373261 218305779 /nfs/dbraw/zinc/30/57/79/218305779.db2.gz QMQZTTHWTUVKPD-IBGZPJMESA-N 2 2 345.491 1.870 50 0 EDAALP CCCc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)nc(C)[nH+]1 ZINC000095373261 218305783 /nfs/dbraw/zinc/30/57/83/218305783.db2.gz QMQZTTHWTUVKPD-IBGZPJMESA-N 2 2 345.491 1.870 50 0 EDAALP Cc1ccccc1[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000095380230 218312209 /nfs/dbraw/zinc/31/22/09/218312209.db2.gz WOMNZHBFBKHGEM-QGZVFWFLSA-N 2 2 333.476 1.825 50 0 EDAALP Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)CN2 ZINC000065625654 280702058 /nfs/dbraw/zinc/70/20/58/280702058.db2.gz DMLWECKLMSXPSS-QZTJIDSGSA-N 2 2 327.476 1.996 50 0 EDAALP Cc1ccc(CNC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000013694366 441164637 /nfs/dbraw/zinc/16/46/37/441164637.db2.gz TWORHUPCIIARFV-UHFFFAOYSA-N 2 2 327.432 1.167 50 0 EDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000048236200 441276662 /nfs/dbraw/zinc/27/66/62/441276662.db2.gz ZEOCAIALEDQFRF-CQSZACIVSA-N 2 2 328.420 1.766 50 0 EDAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCC1 ZINC000082092036 441331354 /nfs/dbraw/zinc/33/13/54/441331354.db2.gz XJVLFBUDESFISY-SFHVURJKSA-N 2 2 342.487 1.990 50 0 EDAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCC1 ZINC000082092036 441331357 /nfs/dbraw/zinc/33/13/57/441331357.db2.gz XJVLFBUDESFISY-SFHVURJKSA-N 2 2 342.487 1.990 50 0 EDAALP OCCNc1cc(N2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106963349 441394880 /nfs/dbraw/zinc/39/48/80/441394880.db2.gz NRRYIRYEVVMXHO-INIZCTEOSA-N 2 2 349.479 1.087 50 0 EDAALP OCCNc1cc(N2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106963349 441394882 /nfs/dbraw/zinc/39/48/82/441394882.db2.gz NRRYIRYEVVMXHO-INIZCTEOSA-N 2 2 349.479 1.087 50 0 EDAALP COc1cc(N2CC[NH+](CCCn3nc(C)cc3C)CC2)nc(N)[nH+]1 ZINC000065376493 441420968 /nfs/dbraw/zinc/42/09/68/441420968.db2.gz ZNCFNTJGJKRPNA-UHFFFAOYSA-N 2 2 345.451 1.093 50 0 EDAALP CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1nccs1 ZINC000065479739 441442701 /nfs/dbraw/zinc/44/27/01/441442701.db2.gz FQBMOABKDHUOLF-CYBMUJFWSA-N 2 2 331.445 1.935 50 0 EDAALP CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1nccs1 ZINC000065479739 441442706 /nfs/dbraw/zinc/44/27/06/441442706.db2.gz FQBMOABKDHUOLF-CYBMUJFWSA-N 2 2 331.445 1.935 50 0 EDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000075146783 441503419 /nfs/dbraw/zinc/50/34/19/441503419.db2.gz ARGAZUYUOQXDGJ-HZPDHXFCSA-N 2 2 335.452 1.168 50 0 EDAALP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOc3ccccc3C2)CC1 ZINC000089870052 441587835 /nfs/dbraw/zinc/58/78/35/441587835.db2.gz WLMVWZSFSBOJLN-UHFFFAOYSA-N 2 2 331.460 1.870 50 0 EDAALP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOc3ccccc3C2)CC1 ZINC000089870052 441587839 /nfs/dbraw/zinc/58/78/39/441587839.db2.gz WLMVWZSFSBOJLN-UHFFFAOYSA-N 2 2 331.460 1.870 50 0 EDAALP CC(C)Oc1cc(N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)nc(N)[nH+]1 ZINC000095518051 441945282 /nfs/dbraw/zinc/94/52/82/441945282.db2.gz UBRHOEFBRDZJHR-HNNXBMFYSA-N 2 2 346.479 1.062 50 0 EDAALP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ncon2)CC1 ZINC000095520404 441947458 /nfs/dbraw/zinc/94/74/58/441947458.db2.gz LIUVHQSWXKIWSS-MRXNPFEDSA-N 2 2 349.479 1.662 50 0 EDAALP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ncon2)CC1 ZINC000095520404 441947464 /nfs/dbraw/zinc/94/74/64/441947464.db2.gz LIUVHQSWXKIWSS-MRXNPFEDSA-N 2 2 349.479 1.662 50 0 EDAALP c1nc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000189371147 442931623 /nfs/dbraw/zinc/93/16/23/442931623.db2.gz IJFJLJQLIBXOAP-INIZCTEOSA-N 2 2 347.463 1.004 50 0 EDAALP CCn1c(C[N@H+](C)CCCc2[nH+]ccn2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223242432 443087181 /nfs/dbraw/zinc/08/71/81/443087181.db2.gz IMVHPODXFTULKI-HDJSIYSDSA-N 3 2 331.468 1.301 50 0 EDAALP CCn1c(C[N@@H+](C)CCCc2[nH+]ccn2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223242432 443087187 /nfs/dbraw/zinc/08/71/87/443087187.db2.gz IMVHPODXFTULKI-HDJSIYSDSA-N 3 2 331.468 1.301 50 0 EDAALP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000237081634 443158066 /nfs/dbraw/zinc/15/80/66/443158066.db2.gz YZNWQNQSYMTMPP-QGZVFWFLSA-N 2 2 331.460 1.872 50 0 EDAALP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000237081634 443158068 /nfs/dbraw/zinc/15/80/68/443158068.db2.gz YZNWQNQSYMTMPP-QGZVFWFLSA-N 2 2 331.460 1.872 50 0 EDAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)CN3CCCC3=O)c2cc1C ZINC000048345994 213927599 /nfs/dbraw/zinc/92/75/99/213927599.db2.gz LKTLMRWYDCGHKR-HZPDHXFCSA-N 2 2 344.459 1.615 50 0 EDAALP CC[C@@H](C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1)n1cccn1 ZINC000067757181 215204928 /nfs/dbraw/zinc/20/49/28/215204928.db2.gz XUZLYWMEWHBMFO-INIZCTEOSA-N 2 2 333.480 1.463 50 0 EDAALP CC[C@@H](C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1)n1cccn1 ZINC000067757181 215204931 /nfs/dbraw/zinc/20/49/31/215204931.db2.gz XUZLYWMEWHBMFO-INIZCTEOSA-N 2 2 333.480 1.463 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](O)c1ccc(F)cc1)CCC[N@@H+]2C ZINC000067847853 215229782 /nfs/dbraw/zinc/22/97/82/215229782.db2.gz XYZCEYARLFDCSW-KRWDZBQOSA-N 2 2 349.450 1.488 50 0 EDAALP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](O)c1ccc(F)cc1)CCC[N@H+]2C ZINC000067847853 215229785 /nfs/dbraw/zinc/22/97/85/215229785.db2.gz XYZCEYARLFDCSW-KRWDZBQOSA-N 2 2 349.450 1.488 50 0 EDAALP CCCn1nccc1C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067895606 215243712 /nfs/dbraw/zinc/24/37/12/215243712.db2.gz GZLZXVFSWCNYMV-UHFFFAOYSA-N 2 2 333.480 1.535 50 0 EDAALP CCCn1nccc1C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067895606 215243714 /nfs/dbraw/zinc/24/37/14/215243714.db2.gz GZLZXVFSWCNYMV-UHFFFAOYSA-N 2 2 333.480 1.535 50 0 EDAALP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035933494 213051694 /nfs/dbraw/zinc/05/16/94/213051694.db2.gz FNHOSYLZZBHMGF-UHFFFAOYSA-N 2 2 325.416 1.013 50 0 EDAALP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C(N)=O)c2ccccc2)nc[nH+]1 ZINC000072276614 216103716 /nfs/dbraw/zinc/10/37/16/216103716.db2.gz ALPDQKJBLFEGAR-YOEHRIQHSA-N 2 2 340.431 1.303 50 0 EDAALP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)CC[C@H]21 ZINC000072425220 216215010 /nfs/dbraw/zinc/21/50/10/216215010.db2.gz DNRLYUCVWCOGIG-JKSUJKDBSA-N 2 2 331.464 1.439 50 0 EDAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000216116695 241166869 /nfs/dbraw/zinc/16/68/69/241166869.db2.gz KMOSGYLATLAVHA-UHFFFAOYSA-N 2 2 339.399 1.960 50 0 EDAALP CN(C)C(=O)N1CC[NH+](Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000215438547 241125643 /nfs/dbraw/zinc/12/56/43/241125643.db2.gz FWHFZAZUHOSNTJ-UHFFFAOYSA-N 2 2 334.464 1.426 50 0 EDAALP CN(Cc1c[nH+]c2ccccn12)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244764152 243075794 /nfs/dbraw/zinc/07/57/94/243075794.db2.gz PCFZKSJGMCEZBH-JOCQHMNTSA-N 2 2 325.420 1.300 50 0 EDAALP COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000092061680 218111608 /nfs/dbraw/zinc/11/16/08/218111608.db2.gz NSZCYTMFFGZPLR-INIZCTEOSA-N 2 2 345.447 1.912 50 0 EDAALP O=C(CCCn1cc[nH+]c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092062470 218113606 /nfs/dbraw/zinc/11/36/06/218113606.db2.gz IGUBGZKBFYNDNQ-IAGOWNOFSA-N 2 2 334.464 1.216 50 0 EDAALP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1cccc(F)c1 ZINC000095364001 218296858 /nfs/dbraw/zinc/29/68/58/218296858.db2.gz WVVSSMONCZYUNO-SFHVURJKSA-N 2 2 349.450 1.752 50 0 EDAALP Cc1ccccc1[C@H](C(=O)N(CCO)Cc1[nH+]ccn1C)[NH+](C)C ZINC000095389115 218320618 /nfs/dbraw/zinc/32/06/18/218320618.db2.gz VZJNONKFKMFRNI-QGZVFWFLSA-N 2 2 330.432 1.352 50 0 EDAALP CCNC(=O)COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000095430358 218372688 /nfs/dbraw/zinc/37/26/88/218372688.db2.gz ODHFAQYMHDILFU-UHFFFAOYSA-N 2 2 349.475 1.090 50 0 EDAALP CCNC(=O)COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000095430358 218372690 /nfs/dbraw/zinc/37/26/90/218372690.db2.gz ODHFAQYMHDILFU-UHFFFAOYSA-N 2 2 349.475 1.090 50 0 EDAALP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000095941106 218454363 /nfs/dbraw/zinc/45/43/63/218454363.db2.gz MMRBNUCCPNKUIE-UHFFFAOYSA-N 2 2 340.427 1.901 50 0 EDAALP O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000299760583 258077932 /nfs/dbraw/zinc/07/79/32/258077932.db2.gz ICZKVSGJKRULQD-GJZGRUSLSA-N 2 2 330.388 1.117 50 0 EDAALP 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331.460 1.438 50 0 EDAALP CCOc1nnc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000075603081 441538577 /nfs/dbraw/zinc/53/85/77/441538577.db2.gz BYKKRSSZZPZLAV-GFCCVEGCSA-N 2 2 328.482 1.461 50 0 EDAALP CCOc1nnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000075603081 441538580 /nfs/dbraw/zinc/53/85/80/441538580.db2.gz BYKKRSSZZPZLAV-GFCCVEGCSA-N 2 2 328.482 1.461 50 0 EDAALP Cc1c[nH]c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)c(C)c1=O ZINC000095527057 441949659 /nfs/dbraw/zinc/94/96/59/441949659.db2.gz PJZQRJZCCHECNH-AWEZNQCLSA-N 2 2 343.431 1.053 50 0 EDAALP Cc1c[nH]c(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)c(C)c1=O ZINC000095527057 441949662 /nfs/dbraw/zinc/94/96/62/441949662.db2.gz PJZQRJZCCHECNH-AWEZNQCLSA-N 2 2 343.431 1.053 50 0 EDAALP CCn1cc[nH+]c1CN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000069624690 441994614 /nfs/dbraw/zinc/99/46/14/441994614.db2.gz CKYFGSSPAGOYCX-LJQANCHMSA-N 2 2 328.460 1.928 50 0 EDAALP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC[C@@H]1CCCO1 ZINC000069703951 442016053 /nfs/dbraw/zinc/01/60/53/442016053.db2.gz HTPFCNCVUQMADY-MSOLQXFVSA-N 2 2 337.508 1.870 50 0 EDAALP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC[C@@H]1CCCO1 ZINC000069703951 442016055 /nfs/dbraw/zinc/01/60/55/442016055.db2.gz HTPFCNCVUQMADY-MSOLQXFVSA-N 2 2 337.508 1.870 50 0 EDAALP C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C[NH+](C)C ZINC000097096575 442167279 /nfs/dbraw/zinc/16/72/79/442167279.db2.gz XNBHZKHBSPKOMS-INIZCTEOSA-N 2 2 347.507 1.885 50 0 EDAALP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000097139223 442173869 /nfs/dbraw/zinc/17/38/69/442173869.db2.gz GFOFFJVCUNJJEM-CQSZACIVSA-N 2 2 329.448 1.905 50 0 EDAALP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000097139223 442173873 /nfs/dbraw/zinc/17/38/73/442173873.db2.gz GFOFFJVCUNJJEM-CQSZACIVSA-N 2 2 329.448 1.905 50 0 EDAALP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000240825218 443203914 /nfs/dbraw/zinc/20/39/14/443203914.db2.gz QOCPNDBGEYSXDJ-NRFANRHFSA-N 3 2 342.531 1.880 50 0 EDAALP c1ccc(C[NH+]2CCN(CC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000240825218 443203924 /nfs/dbraw/zinc/20/39/24/443203924.db2.gz QOCPNDBGEYSXDJ-NRFANRHFSA-N 3 2 342.531 1.880 50 0 EDAALP Cc1cccc(NC[C@H]2CCN(c3nc4c(cnn4C)c(N)[nH+]3)C2)[nH+]1 ZINC000276148481 443654734 /nfs/dbraw/zinc/65/47/34/443654734.db2.gz ISBXCMRZSFXAOH-GFCCVEGCSA-N 2 2 338.419 1.587 50 0 EDAALP CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCC(c3[nH+]ccn3C)CC2)C1 ZINC000097766323 219055205 /nfs/dbraw/zinc/05/52/05/219055205.db2.gz ZNZTVMITXOCDSO-INIZCTEOSA-N 2 2 334.464 1.625 50 0 EDAALP CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC(c3[nH+]ccn3C)CC2)C1 ZINC000097766323 219055207 /nfs/dbraw/zinc/05/52/07/219055207.db2.gz ZNZTVMITXOCDSO-INIZCTEOSA-N 2 2 334.464 1.625 50 0 EDAALP Cc1nn(C)c2nc[nH+]c(N3CCCO[C@H](C[NH+]4CCCC4)C3)c12 ZINC000072425605 282291132 /nfs/dbraw/zinc/29/11/32/282291132.db2.gz ALBFRSZOJAFKFG-CQSZACIVSA-N 2 2 330.436 1.363 50 0 EDAALP Cc1nccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000069173260 215367851 /nfs/dbraw/zinc/36/78/51/215367851.db2.gz CYVXZCBKVVHRPT-INIZCTEOSA-N 2 2 325.416 1.902 50 0 EDAALP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000069741601 215562133 /nfs/dbraw/zinc/56/21/33/215562133.db2.gz IUYGKDIDZSFENH-PMACEKPBSA-N 2 2 347.503 1.447 50 0 EDAALP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000069741601 215562136 /nfs/dbraw/zinc/56/21/36/215562136.db2.gz IUYGKDIDZSFENH-PMACEKPBSA-N 2 2 347.503 1.447 50 0 EDAALP OC[C@]1(O)CCC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000072478376 216257455 /nfs/dbraw/zinc/25/74/55/216257455.db2.gz ZHPSHOGEWZFIHH-IBGZPJMESA-N 2 2 345.443 1.671 50 0 EDAALP OC[C@]1(O)CCC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000072478376 216257457 /nfs/dbraw/zinc/25/74/57/216257457.db2.gz ZHPSHOGEWZFIHH-IBGZPJMESA-N 2 2 345.443 1.671 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CC(C)(C)C)CC1 ZINC000077470467 216912666 /nfs/dbraw/zinc/91/26/66/216912666.db2.gz XNEAMEGPKKWDRB-UHFFFAOYSA-N 2 2 349.523 1.997 50 0 EDAALP COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000091616347 218031694 /nfs/dbraw/zinc/03/16/94/218031694.db2.gz JKXULJASVPTJCX-MRXNPFEDSA-N 2 2 334.464 1.577 50 0 EDAALP COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000091616347 218031696 /nfs/dbraw/zinc/03/16/96/218031696.db2.gz JKXULJASVPTJCX-MRXNPFEDSA-N 2 2 334.464 1.577 50 0 EDAALP CCC[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1NC(=O)CCn1ccc(C)n1 ZINC000091624703 218033355 /nfs/dbraw/zinc/03/33/55/218033355.db2.gz GNSJJARNDBKESH-HOTGVXAUSA-N 2 2 335.496 1.536 50 0 EDAALP CCC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1NC(=O)CCn1ccc(C)n1 ZINC000091624703 218033356 /nfs/dbraw/zinc/03/33/56/218033356.db2.gz GNSJJARNDBKESH-HOTGVXAUSA-N 2 2 335.496 1.536 50 0 EDAALP CC(C)[C@@H]1CN(c2cc(N3CCC(O)CC3)[nH+]cn2)C[C@H]1[NH+](C)C ZINC000091526634 218017801 /nfs/dbraw/zinc/01/78/01/218017801.db2.gz QJQVHANEYZMURT-JKSUJKDBSA-N 2 2 333.480 1.460 50 0 EDAALP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095445601 218389969 /nfs/dbraw/zinc/38/99/69/218389969.db2.gz MVZOBRDLJFTRLI-MSOLQXFVSA-N 2 2 340.427 1.855 50 0 EDAALP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095445601 218389972 /nfs/dbraw/zinc/38/99/72/218389972.db2.gz MVZOBRDLJFTRLI-MSOLQXFVSA-N 2 2 340.427 1.855 50 0 EDAALP CC[NH+]1CCN(CCOc2ccc(C[N@@H+]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000215646954 285316814 /nfs/dbraw/zinc/31/68/14/285316814.db2.gz LGHLTVAPNMOCGQ-LJQANCHMSA-N 3 2 346.519 1.626 50 0 EDAALP CC[NH+]1CCN(CCOc2ccc(C[N@H+]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000215646954 285316817 /nfs/dbraw/zinc/31/68/17/285316817.db2.gz LGHLTVAPNMOCGQ-LJQANCHMSA-N 3 2 346.519 1.626 50 0 EDAALP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000070040472 441107933 /nfs/dbraw/zinc/10/79/33/441107933.db2.gz JYMSGILCMNXHDX-JKSUJKDBSA-N 2 2 338.496 1.665 50 0 EDAALP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000070040472 441107935 /nfs/dbraw/zinc/10/79/35/441107935.db2.gz JYMSGILCMNXHDX-JKSUJKDBSA-N 2 2 338.496 1.665 50 0 EDAALP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H]1c1cccs1)C2=O ZINC000014137848 441173654 /nfs/dbraw/zinc/17/36/54/441173654.db2.gz MJGNGDBLRJULDY-ZDUSSCGKSA-N 2 2 348.472 1.859 50 0 EDAALP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]1c1cccs1)C2=O ZINC000014137848 441173661 /nfs/dbraw/zinc/17/36/61/441173661.db2.gz MJGNGDBLRJULDY-ZDUSSCGKSA-N 2 2 348.472 1.859 50 0 EDAALP c1cc2n(n1)C[C@@H](C[NH2+]C1CC[NH+](Cc3ccccn3)CC1)CN2 ZINC000058307305 441176963 /nfs/dbraw/zinc/17/69/63/441176963.db2.gz DDDDITSFOUFIND-HNNXBMFYSA-N 2 2 326.448 1.574 50 0 EDAALP Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCc3ccccc3C2)cn1 ZINC000071876865 441180432 /nfs/dbraw/zinc/18/04/32/441180432.db2.gz PQPPEEOSDITJBL-WOJBJXKFSA-N 2 2 340.471 1.976 50 0 EDAALP Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCc3ccccc3C2)cn1 ZINC000071876865 441180435 /nfs/dbraw/zinc/18/04/35/441180435.db2.gz PQPPEEOSDITJBL-WOJBJXKFSA-N 2 2 340.471 1.976 50 0 EDAALP Cn1cc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000071876865 441180440 /nfs/dbraw/zinc/18/04/40/441180440.db2.gz PQPPEEOSDITJBL-WOJBJXKFSA-N 2 2 340.471 1.976 50 0 EDAALP Cn1cc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000071876865 441180442 /nfs/dbraw/zinc/18/04/42/441180442.db2.gz PQPPEEOSDITJBL-WOJBJXKFSA-N 2 2 340.471 1.976 50 0 EDAALP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000025176743 441333846 /nfs/dbraw/zinc/33/38/46/441333846.db2.gz VTWAGKULNQCHEW-LJQANCHMSA-N 2 2 345.487 1.736 50 0 EDAALP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000025176743 441333850 /nfs/dbraw/zinc/33/38/50/441333850.db2.gz VTWAGKULNQCHEW-LJQANCHMSA-N 2 2 345.487 1.736 50 0 EDAALP C[C@@H]1C[NH+](CCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H](C)O1 ZINC000106905848 441386650 /nfs/dbraw/zinc/38/66/50/441386650.db2.gz PMXVGGKJQJTLFR-OAGGEKHMSA-N 2 2 349.479 1.349 50 0 EDAALP C[C@@H]1C[NH+](CCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C[C@@H](C)O1 ZINC000106905848 441386655 /nfs/dbraw/zinc/38/66/55/441386655.db2.gz PMXVGGKJQJTLFR-OAGGEKHMSA-N 2 2 349.479 1.349 50 0 EDAALP CC(C)[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000027344578 441400502 /nfs/dbraw/zinc/40/05/02/441400502.db2.gz VUISKWAWPKWRLF-UHFFFAOYSA-N 2 2 347.463 1.154 50 0 EDAALP CCc1cc(N2CCC([NH2+]CCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000089282925 441535674 /nfs/dbraw/zinc/53/56/74/441535674.db2.gz TYMOTPMYFFCFIS-UHFFFAOYSA-N 2 2 327.432 1.652 50 0 EDAALP C[NH+](C)C1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000089314076 441536995 /nfs/dbraw/zinc/53/69/95/441536995.db2.gz NQYYFUAKSUQBMN-UHFFFAOYSA-N 2 2 347.463 1.154 50 0 EDAALP C[N@H+](CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000069741851 442028386 /nfs/dbraw/zinc/02/83/86/442028386.db2.gz DGJUUQVQJGETMK-LJQANCHMSA-N 2 2 345.487 1.689 50 0 EDAALP C[N@@H+](CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000069741851 442028393 /nfs/dbraw/zinc/02/83/93/442028393.db2.gz DGJUUQVQJGETMK-LJQANCHMSA-N 2 2 345.487 1.689 50 0 EDAALP C[NH+]1CCN(CCC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC000097050828 442161008 /nfs/dbraw/zinc/16/10/08/442161008.db2.gz RJKKBWNBTOOCNN-UHFFFAOYSA-N 2 2 348.466 1.107 50 0 EDAALP C[NH+]1CCN(CCC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC000097050828 442161011 /nfs/dbraw/zinc/16/10/11/442161011.db2.gz RJKKBWNBTOOCNN-UHFFFAOYSA-N 2 2 348.466 1.107 50 0 EDAALP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1 ZINC000170609264 442236011 /nfs/dbraw/zinc/23/60/11/442236011.db2.gz NLSZMZWTIXIRLK-UHFFFAOYSA-N 2 2 333.413 1.731 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@H](CNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000192268940 442624241 /nfs/dbraw/zinc/62/42/41/442624241.db2.gz RYWAXJXTOMBTPD-OAHLLOKOSA-N 2 2 335.452 1.082 50 0 EDAALP CC(C)C[N@H+]1CCO[C@H](CNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000192268940 442624245 /nfs/dbraw/zinc/62/42/45/442624245.db2.gz RYWAXJXTOMBTPD-OAHLLOKOSA-N 2 2 335.452 1.082 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@H](CNc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000192268940 442624249 /nfs/dbraw/zinc/62/42/49/442624249.db2.gz RYWAXJXTOMBTPD-OAHLLOKOSA-N 2 2 335.452 1.082 50 0 EDAALP CC(C)C[N@H+]1CCO[C@H](CNc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000192268940 442624254 /nfs/dbraw/zinc/62/42/54/442624254.db2.gz RYWAXJXTOMBTPD-OAHLLOKOSA-N 2 2 335.452 1.082 50 0 EDAALP C[C@@H]([NH2+]CC(=O)NC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189895128 443025315 /nfs/dbraw/zinc/02/53/15/443025315.db2.gz QSBZYKFATHFWNB-CQSZACIVSA-N 2 2 328.416 1.818 50 0 EDAALP CCn1cc[nH+]c1CN(C)c1cc(C2CC([NH3+])C2)nc(COC)n1 ZINC000219919323 443062243 /nfs/dbraw/zinc/06/22/43/443062243.db2.gz NVTAOWGAQXMFLW-UHFFFAOYSA-N 2 2 330.436 1.681 50 0 EDAALP Cc1cc(=O)n(CC[NH+]2CCC(c3[nH+]ccn3C(C)C)CC2)c(=O)[nH]1 ZINC000253536750 443072400 /nfs/dbraw/zinc/07/24/00/443072400.db2.gz NCNYOONVBVKNEV-UHFFFAOYSA-N 2 2 345.447 1.914 50 0 EDAALP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000240825220 443204443 /nfs/dbraw/zinc/20/44/43/443204443.db2.gz QOCPNDBGEYSXDJ-OAQYLSRUSA-N 3 2 342.531 1.880 50 0 EDAALP c1ccc(C[NH+]2CCN(CC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000240825220 443204446 /nfs/dbraw/zinc/20/44/46/443204446.db2.gz QOCPNDBGEYSXDJ-OAQYLSRUSA-N 3 2 342.531 1.880 50 0 EDAALP CCc1[nH+]ccn1CCNC(=O)N1CC[NH+](CCSC)CC1 ZINC000534654386 448461921 /nfs/dbraw/zinc/46/19/21/448461921.db2.gz GALFNZQBPMEDSZ-UHFFFAOYSA-N 2 2 325.482 1.136 50 0 EDAALP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1[NH+]1CCOCC1 ZINC000084735805 486282062 /nfs/dbraw/zinc/28/20/62/486282062.db2.gz AMVASXUAGQUWSM-IAGOWNOFSA-N 2 2 334.464 1.541 50 0 EDAALP Cc1nc([C@@H]([NH3+])Cc2c[nH+]c[nH]2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000067560559 215161714 /nfs/dbraw/zinc/16/17/14/215161714.db2.gz NXXLZSSOKOJFCF-ZDUSSCGKSA-N 2 2 326.360 1.313 50 0 EDAALP Cc1nc([C@@H]([NH3+])Cc2c[nH]c[nH+]2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000067560559 215161716 /nfs/dbraw/zinc/16/17/16/215161716.db2.gz NXXLZSSOKOJFCF-ZDUSSCGKSA-N 2 2 326.360 1.313 50 0 EDAALP C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023654362 212388382 /nfs/dbraw/zinc/38/83/82/212388382.db2.gz ZPLBGSNLTGOVMY-MAUKXSAKSA-N 2 2 330.432 1.216 50 0 EDAALP Cn1cc[nH+]c1CN1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)CC1 ZINC000215313789 241116592 /nfs/dbraw/zinc/11/65/92/241116592.db2.gz PYYVUCWYWRUTSK-UHFFFAOYSA-N 2 2 345.491 1.473 50 0 EDAALP Nc1nc(NCc2cc(-c3cccnc3)no2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000218983920 241356914 /nfs/dbraw/zinc/35/69/14/241356914.db2.gz LKJKQHXEOLMCSQ-UHFFFAOYSA-N 2 2 337.387 1.926 50 0 EDAALP OCCNc1nc(NCC23CCC[NH+]2CCC3)cc([C@@H]2CCOC2)[nH+]1 ZINC000299771314 258083633 /nfs/dbraw/zinc/08/36/33/258083633.db2.gz YAUTWAGUUVGUMU-CQSZACIVSA-N 2 2 347.463 1.425 50 0 EDAALP Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C)CN2 ZINC000058428882 280702055 /nfs/dbraw/zinc/70/20/55/280702055.db2.gz XKKFBGBQQILOJM-ZWKOTPCHSA-N 2 2 327.476 1.996 50 0 EDAALP CC(C)(COC(=O)C[NH+]1CCCC1)COC(=O)C[NH+]1CCCC1 ZINC000002294343 440860711 /nfs/dbraw/zinc/86/07/11/440860711.db2.gz LALJIOHXLUTGRN-UHFFFAOYSA-N 2 2 326.437 1.291 50 0 EDAALP CC[C@@](C)(CNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCOCC1 ZINC000044954712 440925303 /nfs/dbraw/zinc/92/53/03/440925303.db2.gz GTFDEMFFMPGYPH-SFHVURJKSA-N 2 2 349.479 1.448 50 0 EDAALP C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000012889913 441147499 /nfs/dbraw/zinc/14/74/99/441147499.db2.gz RYXIQXOLEDDZAO-KRWDZBQOSA-N 2 2 345.487 1.867 50 0 EDAALP C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000012889913 441147504 /nfs/dbraw/zinc/14/75/04/441147504.db2.gz RYXIQXOLEDDZAO-KRWDZBQOSA-N 2 2 345.487 1.867 50 0 EDAALP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000072295739 441224683 /nfs/dbraw/zinc/22/46/83/441224683.db2.gz DFQOOEYKRRTMMD-HKUYNNGSSA-N 2 2 344.503 1.798 50 0 EDAALP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000072295739 441224687 /nfs/dbraw/zinc/22/46/87/441224687.db2.gz DFQOOEYKRRTMMD-HKUYNNGSSA-N 2 2 344.503 1.798 50 0 EDAALP OC[C@H](Cc1ccccc1)[NH2+]CC[NH2+][C@H](CO)Cc1ccccc1 ZINC000022863338 441287087 /nfs/dbraw/zinc/28/70/87/441287087.db2.gz GKXQUUSWUBOZHX-PMACEKPBSA-N 2 2 328.456 1.373 50 0 EDAALP Nc1nc(N2CC[N@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc[nH+]1 ZINC000107005136 441397316 /nfs/dbraw/zinc/39/73/16/441397316.db2.gz LAWDRPBYWZYCNU-CYBMUJFWSA-N 2 2 349.385 1.410 50 0 EDAALP Nc1nc(N2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc[nH+]1 ZINC000107005136 441397320 /nfs/dbraw/zinc/39/73/20/441397320.db2.gz LAWDRPBYWZYCNU-CYBMUJFWSA-N 2 2 349.385 1.410 50 0 EDAALP COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003590 441611483 /nfs/dbraw/zinc/61/14/83/441611483.db2.gz HWXWTRCYPDFJLX-YOEHRIQHSA-N 2 2 328.416 1.984 50 0 EDAALP COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003590 441611487 /nfs/dbraw/zinc/61/14/87/441611487.db2.gz HWXWTRCYPDFJLX-YOEHRIQHSA-N 2 2 328.416 1.984 50 0 EDAALP c1cn(CCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)c[nH+]1 ZINC000067641981 441660970 /nfs/dbraw/zinc/66/09/70/441660970.db2.gz LCWVFRUHXQVNJO-UHFFFAOYSA-N 2 2 335.415 1.883 50 0 EDAALP O=C([C@H]1CCC[NH2+]1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095510584 441943312 /nfs/dbraw/zinc/94/33/12/441943312.db2.gz MUAANDCBDAAWGU-OAHLLOKOSA-N 2 2 345.472 1.846 50 0 EDAALP Cc1cc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccn3)CC2)cc[nH+]1 ZINC000252490434 443031761 /nfs/dbraw/zinc/03/17/61/443031761.db2.gz KTIIUYQMVPDDGF-HNNXBMFYSA-N 2 2 325.416 1.934 50 0 EDAALP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@H]1Cn1cncn1 ZINC000257365035 443157868 /nfs/dbraw/zinc/15/78/68/443157868.db2.gz PDBKCNDPMGAUCO-RBUKOAKNSA-N 2 2 343.475 1.626 50 0 EDAALP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@H]1Cn1cncn1 ZINC000257365035 443157870 /nfs/dbraw/zinc/15/78/70/443157870.db2.gz PDBKCNDPMGAUCO-RBUKOAKNSA-N 2 2 343.475 1.626 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000257365035 443157873 /nfs/dbraw/zinc/15/78/73/443157873.db2.gz PDBKCNDPMGAUCO-RBUKOAKNSA-N 2 2 343.475 1.626 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000257365035 443157875 /nfs/dbraw/zinc/15/78/75/443157875.db2.gz PDBKCNDPMGAUCO-RBUKOAKNSA-N 2 2 343.475 1.626 50 0 EDAALP O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCC1(Cn2cc[nH+]c2)CC1 ZINC000426503071 447458903 /nfs/dbraw/zinc/45/89/03/447458903.db2.gz RDLRUGMPYVEQKP-OAHLLOKOSA-N 2 2 342.447 1.143 50 0 EDAALP C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cccc(-c3ccc[nH+]c3N)c2)C1 ZINC000584887494 448665569 /nfs/dbraw/zinc/66/55/69/448665569.db2.gz OUYAQWBDBKSFPH-IBGZPJMESA-N 2 2 340.427 1.469 50 0 EDAALP NC(=O)N1CCC[N@H+](CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000092754144 485950923 /nfs/dbraw/zinc/95/09/23/485950923.db2.gz LRSXBYHZIGPXAN-UHFFFAOYSA-N 2 2 338.496 1.356 50 0 EDAALP NC(=O)N1CCC[N@@H+](CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000092754144 485950931 /nfs/dbraw/zinc/95/09/31/485950931.db2.gz LRSXBYHZIGPXAN-UHFFFAOYSA-N 2 2 338.496 1.356 50 0 EDAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000670460192 486550719 /nfs/dbraw/zinc/55/07/19/486550719.db2.gz OGALGEOWMLYFAG-OAHLLOKOSA-N 2 2 327.432 1.951 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000052861572 214151121 /nfs/dbraw/zinc/15/11/21/214151121.db2.gz PTTHXCFVDTVUIC-ZFWWWQNUSA-N 2 2 335.452 1.110 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000052861572 214151123 /nfs/dbraw/zinc/15/11/23/214151123.db2.gz PTTHXCFVDTVUIC-ZFWWWQNUSA-N 2 2 335.452 1.110 50 0 EDAALP Cc1ccc([C@@H](CNC(=O)NCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000067003287 215102529 /nfs/dbraw/zinc/10/25/29/215102529.db2.gz DBLNXFMQTKXVQN-QGZVFWFLSA-N 2 2 334.464 1.229 50 0 EDAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1[C@@H]2C[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC000102775718 219230674 /nfs/dbraw/zinc/23/06/74/219230674.db2.gz BRIYPPHYBFLBHM-HJOKPGJRSA-N 2 2 326.444 1.458 50 0 EDAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1[C@@H]2C[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC000102775718 219230677 /nfs/dbraw/zinc/23/06/77/219230677.db2.gz BRIYPPHYBFLBHM-HJOKPGJRSA-N 2 2 326.444 1.458 50 0 EDAALP O=C(NCCc1c[nH]c[nH+]1)[C@H]1[C@@H]2C[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC000102775718 219230679 /nfs/dbraw/zinc/23/06/79/219230679.db2.gz BRIYPPHYBFLBHM-HJOKPGJRSA-N 2 2 326.444 1.458 50 0 EDAALP O=C(NCCc1c[nH]c[nH+]1)[C@H]1[C@@H]2C[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC000102775718 219230683 /nfs/dbraw/zinc/23/06/83/219230683.db2.gz BRIYPPHYBFLBHM-HJOKPGJRSA-N 2 2 326.444 1.458 50 0 EDAALP CN(CCC[NH+]1CCCCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244700834 243059549 /nfs/dbraw/zinc/05/95/49/243059549.db2.gz JUXFMZOSKMMHIO-GASCZTMLSA-N 3 2 332.496 1.966 50 0 EDAALP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000423791719 252076136 /nfs/dbraw/zinc/07/61/36/252076136.db2.gz BCJRCZVWVNDVLT-MRXNPFEDSA-N 2 2 340.427 1.735 50 0 EDAALP O=CN1CC[NH+](Cc2ccc(OCC[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000299801740 258105001 /nfs/dbraw/zinc/10/50/01/258105001.db2.gz XJEOWEGCAUDPOJ-GOSISDBHSA-N 2 2 331.460 1.872 50 0 EDAALP Cc1cc(N2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)cc[nH+]1 ZINC000274350542 273087099 /nfs/dbraw/zinc/08/70/99/273087099.db2.gz KLUKFENHYYLFCX-UHFFFAOYSA-N 2 2 341.440 1.782 50 0 EDAALP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284625938 274269546 /nfs/dbraw/zinc/26/95/46/274269546.db2.gz SXQSCDAPHOHFBX-DOTOQJQBSA-N 2 2 343.479 1.449 50 0 EDAALP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284625938 274269548 /nfs/dbraw/zinc/26/95/48/274269548.db2.gz SXQSCDAPHOHFBX-DOTOQJQBSA-N 2 2 343.479 1.449 50 0 EDAALP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000192021110 275025640 /nfs/dbraw/zinc/02/56/40/275025640.db2.gz FGIWAMRKCPFTNX-VQIMIIECSA-N 2 2 343.471 1.984 50 0 EDAALP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000192021110 275025641 /nfs/dbraw/zinc/02/56/41/275025641.db2.gz FGIWAMRKCPFTNX-VQIMIIECSA-N 2 2 343.471 1.984 50 0 EDAALP O=C(NCCF)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071714584 441148709 /nfs/dbraw/zinc/14/87/09/441148709.db2.gz CROINJUAJCXAAE-KRWDZBQOSA-N 2 2 348.466 1.844 50 0 EDAALP O=C(NCCF)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071714584 441148714 /nfs/dbraw/zinc/14/87/14/441148714.db2.gz CROINJUAJCXAAE-KRWDZBQOSA-N 2 2 348.466 1.844 50 0 EDAALP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000047792175 441227499 /nfs/dbraw/zinc/22/74/99/441227499.db2.gz XLPCDRXGWUACAN-CQSZACIVSA-N 2 2 331.420 1.843 50 0 EDAALP Cc1cccc(C[NH+]2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)c1 ZINC000016606464 441227990 /nfs/dbraw/zinc/22/79/90/441227990.db2.gz HUYOGKKBJRKHSQ-UHFFFAOYSA-N 2 2 345.487 1.655 50 0 EDAALP Cc1cc(N2CC[NH+](C)CC2)n2nc(C[N@H+]3CCCC[C@@H]3C)nc2n1 ZINC000065311624 441416397 /nfs/dbraw/zinc/41/63/97/441416397.db2.gz MAKOMSAVFBICFU-HNNXBMFYSA-N 2 2 343.479 1.559 50 0 EDAALP Cc1cc(N2CC[NH+](C)CC2)n2nc(C[N@@H+]3CCCC[C@@H]3C)nc2n1 ZINC000065311624 441416402 /nfs/dbraw/zinc/41/64/02/441416402.db2.gz MAKOMSAVFBICFU-HNNXBMFYSA-N 2 2 343.479 1.559 50 0 EDAALP COc1ccc(CCC(=O)N2CC[NH+]=C2N2CC[NH+](C)CC2)cc1 ZINC000065306398 441416414 /nfs/dbraw/zinc/41/64/14/441416414.db2.gz HNXDQPQZBIKGOM-UHFFFAOYSA-N 2 2 330.432 1.073 50 0 EDAALP CC[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1[NH+]1CCOCC1 ZINC000084736105 441416967 /nfs/dbraw/zinc/41/69/67/441416967.db2.gz RHKNGYQDPGABIA-GOEBONIOSA-N 2 2 328.416 1.517 50 0 EDAALP COc1cccc([C@H](CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)[NH+](C)C)c1 ZINC000065458033 441438512 /nfs/dbraw/zinc/43/85/12/441438512.db2.gz VYHZTZKHCGHQGB-YOEHRIQHSA-N 2 2 345.447 1.882 50 0 EDAALP Cc1cccn2cc(CC(=O)NCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000065626523 441473765 /nfs/dbraw/zinc/47/37/65/441473765.db2.gz XLTVUOZACAKAKA-GASCZTMLSA-N 2 2 330.432 1.411 50 0 EDAALP Cc1cccn2cc(CC(=O)NCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000065626523 441473768 /nfs/dbraw/zinc/47/37/68/441473768.db2.gz XLTVUOZACAKAKA-GASCZTMLSA-N 2 2 330.432 1.411 50 0 EDAALP Cc1ccsc1CCNc1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000065527642 441452531 /nfs/dbraw/zinc/45/25/31/441452531.db2.gz IIXZAIQXXDISSB-UHFFFAOYSA-N 2 2 332.477 1.835 50 0 EDAALP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C(=O)O1 ZINC000075602962 441538157 /nfs/dbraw/zinc/53/81/57/441538157.db2.gz IVPREJNRFDWUHK-JLSDUUJJSA-N 2 2 332.444 1.726 50 0 EDAALP CN(CC1CC[NH+](Cc2ccccc2)CC1)c1cc(N)[nH+]c(N)n1 ZINC000095528416 441949906 /nfs/dbraw/zinc/94/99/06/441949906.db2.gz MZYKPRSPMBUJPL-UHFFFAOYSA-N 2 2 326.448 1.989 50 0 EDAALP CN(CC1CC[NH+](Cc2ccccc2)CC1)c1cc(N)nc(N)[nH+]1 ZINC000095528416 441949914 /nfs/dbraw/zinc/94/99/14/441949914.db2.gz MZYKPRSPMBUJPL-UHFFFAOYSA-N 2 2 326.448 1.989 50 0 EDAALP Cc1nc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000069845696 442054569 /nfs/dbraw/zinc/05/45/69/442054569.db2.gz RBIBJPQVXOWEFK-UHFFFAOYSA-N 2 2 345.472 1.675 50 0 EDAALP C[C@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000069923404 442075771 /nfs/dbraw/zinc/07/57/71/442075771.db2.gz RMTJQEBCUSRENE-WBVHZDCISA-N 2 2 328.416 1.322 50 0 EDAALP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCn1cc[nH+]c1 ZINC000096436119 442130403 /nfs/dbraw/zinc/13/04/03/442130403.db2.gz LPOSGVZMWCJGBH-KRWDZBQOSA-N 2 2 328.416 1.290 50 0 EDAALP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCn1cc[nH+]c1 ZINC000096436119 442130407 /nfs/dbraw/zinc/13/04/07/442130407.db2.gz LPOSGVZMWCJGBH-KRWDZBQOSA-N 2 2 328.416 1.290 50 0 EDAALP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000195034019 442978302 /nfs/dbraw/zinc/97/83/02/442978302.db2.gz VYWKWEIHEIJNKW-GASCZTMLSA-N 2 2 345.447 1.585 50 0 EDAALP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000195034019 442978305 /nfs/dbraw/zinc/97/83/05/442978305.db2.gz VYWKWEIHEIJNKW-GASCZTMLSA-N 2 2 345.447 1.585 50 0 EDAALP CCn1cc[nH+]c1CN1CC[N@H+](CCC(=O)NC(C)(C)C)C[C@H]1C ZINC000241371317 443207348 /nfs/dbraw/zinc/20/73/48/443207348.db2.gz MMMJVZIXAVLEIM-OAHLLOKOSA-N 2 2 335.496 1.714 50 0 EDAALP CCn1cc[nH+]c1CN1CC[N@@H+](CCC(=O)NC(C)(C)C)C[C@H]1C ZINC000241371317 443207355 /nfs/dbraw/zinc/20/73/55/443207355.db2.gz MMMJVZIXAVLEIM-OAHLLOKOSA-N 2 2 335.496 1.714 50 0 EDAALP Cc1cc(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)cc(C)[nH+]1 ZINC000244852505 443215248 /nfs/dbraw/zinc/21/52/48/443215248.db2.gz UTQMODIKEWYXFO-GASCZTMLSA-N 2 2 328.420 1.662 50 0 EDAALP CC[N@@H+]1CC[C@H](CNC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000426582885 447475049 /nfs/dbraw/zinc/47/50/49/447475049.db2.gz UGRKCDRBYNBSAC-OAHLLOKOSA-N 2 2 332.448 1.976 50 0 EDAALP CC[N@H+]1CC[C@H](CNC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000426582885 447475056 /nfs/dbraw/zinc/47/50/56/447475056.db2.gz UGRKCDRBYNBSAC-OAHLLOKOSA-N 2 2 332.448 1.976 50 0 EDAALP C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000583651855 448457935 /nfs/dbraw/zinc/45/79/35/448457935.db2.gz UGUYWYWETADBCY-YJBOKZPZSA-N 2 2 331.460 1.779 50 0 EDAALP COc1cccc(C[NH2+][C@H](C)c2nncn2C)c1OCC[NH+](C)C ZINC000055327405 214307679 /nfs/dbraw/zinc/30/76/79/214307679.db2.gz SJVPIHOPHAJVOG-CYBMUJFWSA-N 2 2 333.436 1.615 50 0 EDAALP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093046741 237017101 /nfs/dbraw/zinc/01/71/01/237017101.db2.gz YXIWTMLRZUCUDE-UHFFFAOYSA-N 2 2 327.432 1.303 50 0 EDAALP COCc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000093142192 237020204 /nfs/dbraw/zinc/02/02/04/237020204.db2.gz ODBBGLBASVEVKS-UHFFFAOYSA-N 2 2 349.475 1.802 50 0 EDAALP CCc1cc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)n2nccc2n1 ZINC000072433563 216228607 /nfs/dbraw/zinc/22/86/07/216228607.db2.gz UQOUFKINWOANKV-MRXNPFEDSA-N 2 2 342.491 1.756 50 0 EDAALP CCc1cc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)n2nccc2n1 ZINC000072433563 216228609 /nfs/dbraw/zinc/22/86/09/216228609.db2.gz UQOUFKINWOANKV-MRXNPFEDSA-N 2 2 342.491 1.756 50 0 EDAALP O=c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)[nH]c2ccc(F)cc12 ZINC000091849413 218076841 /nfs/dbraw/zinc/07/68/41/218076841.db2.gz BKLRFGOWVZQQOB-RTBURBONSA-N 2 2 345.418 1.604 50 0 EDAALP O=c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)[nH]c2ccc(F)cc12 ZINC000091849413 218076842 /nfs/dbraw/zinc/07/68/42/218076842.db2.gz BKLRFGOWVZQQOB-RTBURBONSA-N 2 2 345.418 1.604 50 0 EDAALP CCCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280364982 258014009 /nfs/dbraw/zinc/01/40/09/258014009.db2.gz JBCXDKZZXPKZNE-CALCHBBNSA-N 2 2 344.459 1.286 50 0 EDAALP CCCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280364982 258014011 /nfs/dbraw/zinc/01/40/11/258014011.db2.gz JBCXDKZZXPKZNE-CALCHBBNSA-N 2 2 344.459 1.286 50 0 EDAALP CCCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280364982 258014013 /nfs/dbraw/zinc/01/40/13/258014013.db2.gz JBCXDKZZXPKZNE-CALCHBBNSA-N 2 2 344.459 1.286 50 0 EDAALP CCCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280364982 258014014 /nfs/dbraw/zinc/01/40/14/258014014.db2.gz JBCXDKZZXPKZNE-CALCHBBNSA-N 2 2 344.459 1.286 50 0 EDAALP Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000070013231 441104179 /nfs/dbraw/zinc/10/41/79/441104179.db2.gz ZIPKWGLYIPFZLN-KRWDZBQOSA-N 2 2 345.487 1.967 50 0 EDAALP Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000070013231 441104182 /nfs/dbraw/zinc/10/41/82/441104182.db2.gz ZIPKWGLYIPFZLN-KRWDZBQOSA-N 2 2 345.487 1.967 50 0 EDAALP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000071881828 441183305 /nfs/dbraw/zinc/18/33/05/441183305.db2.gz BNBAAHXBECJUFQ-GOSISDBHSA-N 2 2 342.443 1.460 50 0 EDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000058393371 441189092 /nfs/dbraw/zinc/18/90/92/441189092.db2.gz QJZOPNJHVMDEDG-HNNXBMFYSA-N 2 2 337.512 1.546 50 0 EDAALP CCNC(=O)COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000071792550 441154362 /nfs/dbraw/zinc/15/43/62/441154362.db2.gz HOJHNNODMLBAPU-QGZVFWFLSA-N 2 2 349.475 1.138 50 0 EDAALP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]CCn3cccn3)CC2)c1 ZINC000072267793 441211627 /nfs/dbraw/zinc/21/16/27/441211627.db2.gz CIWBUWNUHQQBHN-UHFFFAOYSA-N 2 2 341.459 1.126 50 0 EDAALP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082097947 441331884 /nfs/dbraw/zinc/33/18/84/441331884.db2.gz LZOZSGXTCKZDDW-INIZCTEOSA-N 2 2 342.443 1.925 50 0 EDAALP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082097947 441331889 /nfs/dbraw/zinc/33/18/89/441331889.db2.gz LZOZSGXTCKZDDW-INIZCTEOSA-N 2 2 342.443 1.925 50 0 EDAALP O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000106946226 441393164 /nfs/dbraw/zinc/39/31/64/441393164.db2.gz DECAEYMQZYBBLQ-QGZVFWFLSA-N 2 2 349.450 1.317 50 0 EDAALP O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000106946226 441393166 /nfs/dbraw/zinc/39/31/66/441393166.db2.gz DECAEYMQZYBBLQ-QGZVFWFLSA-N 2 2 349.450 1.317 50 0 EDAALP O=C(C[NH+]1CCC[C@@H](O)C1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000106946226 441393168 /nfs/dbraw/zinc/39/31/68/441393168.db2.gz DECAEYMQZYBBLQ-QGZVFWFLSA-N 2 2 349.450 1.317 50 0 EDAALP O=C(C[NH+]1CCC[C@@H](O)C1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000106946226 441393171 /nfs/dbraw/zinc/39/31/71/441393171.db2.gz DECAEYMQZYBBLQ-QGZVFWFLSA-N 2 2 349.450 1.317 50 0 EDAALP Cc1cc(N2CC[NH+](C)CC2)n2nc(C[N@H+]3CCCC[C@H]3C)nc2n1 ZINC000065311625 441416608 /nfs/dbraw/zinc/41/66/08/441416608.db2.gz MAKOMSAVFBICFU-OAHLLOKOSA-N 2 2 343.479 1.559 50 0 EDAALP Cc1cc(N2CC[NH+](C)CC2)n2nc(C[N@@H+]3CCCC[C@H]3C)nc2n1 ZINC000065311625 441416610 /nfs/dbraw/zinc/41/66/10/441416610.db2.gz MAKOMSAVFBICFU-OAHLLOKOSA-N 2 2 343.479 1.559 50 0 EDAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21)C(=O)N1CCOCC1 ZINC000089420179 441549495 /nfs/dbraw/zinc/54/94/95/441549495.db2.gz UYGUMQSWHUCNEG-GJZGRUSLSA-N 2 2 348.491 1.895 50 0 EDAALP COc1ccc([C@@H](CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000089904426 441592790 /nfs/dbraw/zinc/59/27/90/441592790.db2.gz PARARYBIACJMDT-WMLDXEAASA-N 2 2 345.447 1.882 50 0 EDAALP CC(C)=CC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077419929 441776667 /nfs/dbraw/zinc/77/66/67/441776667.db2.gz FERHADFIKGCHCN-UHFFFAOYSA-N 2 2 347.507 1.917 50 0 EDAALP CN(C)c1nc(NCc2ccccc2C[NH+]2CCOCC2)cc[nH+]1 ZINC000077486600 441790360 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CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000097139222 442173565 /nfs/dbraw/zinc/17/35/65/442173565.db2.gz GFOFFJVCUNJJEM-AWEZNQCLSA-N 2 2 329.448 1.905 50 0 EDAALP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000097139222 442173569 /nfs/dbraw/zinc/17/35/69/442173569.db2.gz GFOFFJVCUNJJEM-AWEZNQCLSA-N 2 2 329.448 1.905 50 0 EDAALP CCOC(=O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000170601580 442234623 /nfs/dbraw/zinc/23/46/23/442234623.db2.gz OFQWXBSVHBNKAH-UHFFFAOYSA-N 2 2 347.459 1.216 50 0 EDAALP CCOC(=O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000170601580 442234627 /nfs/dbraw/zinc/23/46/27/442234627.db2.gz OFQWXBSVHBNKAH-UHFFFAOYSA-N 2 2 347.459 1.216 50 0 EDAALP CCn1c(C[NH+]2CCC(c3n[nH]cc3C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252539669 443042236 /nfs/dbraw/zinc/04/22/36/443042236.db2.gz OHLYMRLGQLXWAO-GASCZTMLSA-N 2 2 343.479 1.914 50 0 EDAALP OCCO[C@H]1CCOC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000223121085 443085067 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50 0 EDAALP C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1[nH+]ccn1C ZINC000585113905 448693395 /nfs/dbraw/zinc/69/33/95/448693395.db2.gz WJQOKNUFUGMBKJ-GDBMZVCRSA-N 2 2 327.432 1.905 50 0 EDAALP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1[nH+]ccn1C ZINC000585113905 448693402 /nfs/dbraw/zinc/69/34/02/448693402.db2.gz WJQOKNUFUGMBKJ-GDBMZVCRSA-N 2 2 327.432 1.905 50 0 EDAALP C[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000670448703 486529263 /nfs/dbraw/zinc/52/92/63/486529263.db2.gz YDVLCKZTVRVKLH-ZDUSSCGKSA-N 2 2 343.431 1.598 50 0 EDAALP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1nc(-c2ccccc2)no1 ZINC000670448703 486529266 /nfs/dbraw/zinc/52/92/66/486529266.db2.gz YDVLCKZTVRVKLH-ZDUSSCGKSA-N 2 2 343.431 1.598 50 0 EDAALP COC(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000069155796 215366228 /nfs/dbraw/zinc/36/62/28/215366228.db2.gz AUEUVQGLJGTPAL-UHFFFAOYSA-N 2 2 347.459 1.571 50 0 EDAALP COC(=O)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000069155796 215366230 /nfs/dbraw/zinc/36/62/30/215366230.db2.gz AUEUVQGLJGTPAL-UHFFFAOYSA-N 2 2 347.459 1.571 50 0 EDAALP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072422307 216211621 /nfs/dbraw/zinc/21/16/21/216211621.db2.gz MSCIVICWYBWMMT-HNNXBMFYSA-N 2 2 325.453 1.550 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000072463027 216245714 /nfs/dbraw/zinc/24/57/14/216245714.db2.gz UQGBZXOIAGUZNJ-OAHLLOKOSA-N 2 2 348.495 1.069 50 0 EDAALP O[C@@H]1CC[N@H+](Cc2cn(C3CC[NH+](Cc4ccoc4)CC3)nn2)C1 ZINC000023541845 212381952 /nfs/dbraw/zinc/38/19/52/212381952.db2.gz HYXCYKGSZCLJKH-QGZVFWFLSA-N 2 2 331.420 1.275 50 0 EDAALP O[C@@H]1CC[N@@H+](Cc2cn(C3CC[NH+](Cc4ccoc4)CC3)nn2)C1 ZINC000023541845 212381956 /nfs/dbraw/zinc/38/19/56/212381956.db2.gz HYXCYKGSZCLJKH-QGZVFWFLSA-N 2 2 331.420 1.275 50 0 EDAALP COCCn1ccnc1C[N@@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000215780245 241147563 /nfs/dbraw/zinc/14/75/63/241147563.db2.gz NFQPPERQDHRPTF-UHFFFAOYSA-N 2 2 329.448 1.945 50 0 EDAALP COCCn1ccnc1C[N@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000215780245 241147570 /nfs/dbraw/zinc/14/75/70/241147570.db2.gz NFQPPERQDHRPTF-UHFFFAOYSA-N 2 2 329.448 1.945 50 0 EDAALP Cc1cc2[nH+]cn(C[C@H](O)CN3CCO[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000229517404 242172577 /nfs/dbraw/zinc/17/25/77/242172577.db2.gz ASRMYLOWWUZSRF-SJORKVTESA-N 2 2 346.475 1.276 50 0 EDAALP Cc1nn2cc(CNc3cc([C@H]4C[C@@H]([NH3+])C4)[nH+]c(N)n3)nc2s1 ZINC000244874590 243093525 /nfs/dbraw/zinc/09/35/25/243093525.db2.gz XDTPFODHOIIRTA-DTORHVGOSA-N 2 2 330.421 1.288 50 0 EDAALP Cc1cccc([C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000095376732 218309241 /nfs/dbraw/zinc/30/92/41/218309241.db2.gz SCYTXPQIJMXCIM-KRWDZBQOSA-N 2 2 333.476 1.825 50 0 EDAALP O=C(NCCC[NH+]1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000097337079 219013333 /nfs/dbraw/zinc/01/33/33/219013333.db2.gz ARUKQSMKBGXRIP-UHFFFAOYSA-N 2 2 346.475 1.066 50 0 EDAALP O=C(NCCC[NH+]1CCOCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000097337079 219013334 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1.392 50 0 EDAALP CNC(=O)c1[nH]nc2c1C[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000072143698 277255496 /nfs/dbraw/zinc/25/54/96/277255496.db2.gz LRBVFFYVBRVJRV-XJKSGUPXSA-N 2 2 331.464 1.392 50 0 EDAALP C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000133204001 279225530 /nfs/dbraw/zinc/22/55/30/279225530.db2.gz LKZICLVAUQWKAJ-CZUORRHYSA-N 2 2 339.480 1.982 50 0 EDAALP O=C(NCC[NH+]1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000044946650 440920990 /nfs/dbraw/zinc/92/09/90/440920990.db2.gz DTTIURPXNDXMDG-OAHLLOKOSA-N 2 2 336.436 1.048 50 0 EDAALP Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000069980994 441101656 /nfs/dbraw/zinc/10/16/56/441101656.db2.gz PHPQHJZXCDQIHW-KRWDZBQOSA-N 2 2 331.464 1.300 50 0 EDAALP Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000069980994 441101658 /nfs/dbraw/zinc/10/16/58/441101658.db2.gz PHPQHJZXCDQIHW-KRWDZBQOSA-N 2 2 331.464 1.300 50 0 EDAALP C[N@H+](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)Cc1cccnc1 ZINC000082107323 441333028 /nfs/dbraw/zinc/33/30/28/441333028.db2.gz RLQAYJQKHTWCJN-UHFFFAOYSA-N 2 2 346.475 1.084 50 0 EDAALP C[N@@H+](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)Cc1cccnc1 ZINC000082107323 441333031 /nfs/dbraw/zinc/33/30/31/441333031.db2.gz RLQAYJQKHTWCJN-UHFFFAOYSA-N 2 2 346.475 1.084 50 0 EDAALP COc1ccc([C@H](CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000089904425 441592162 /nfs/dbraw/zinc/59/21/62/441592162.db2.gz PARARYBIACJMDT-YOEHRIQHSA-N 2 2 345.447 1.882 50 0 EDAALP CCCc1nc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc(C)[nH+]1 ZINC000091657189 441726648 /nfs/dbraw/zinc/72/66/48/441726648.db2.gz KXJOKLPKNFIJOJ-HZPDHXFCSA-N 2 2 348.491 1.239 50 0 EDAALP CC(=O)NCCC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095498400 441937229 /nfs/dbraw/zinc/93/72/29/441937229.db2.gz XEKKCDPXMOYLER-INIZCTEOSA-N 2 2 349.479 1.067 50 0 EDAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCC3)c2)CC1 ZINC000095503207 441940749 /nfs/dbraw/zinc/94/07/49/441940749.db2.gz KWLOHMXLIFBIAC-SFHVURJKSA-N 2 2 333.476 1.270 50 0 EDAALP CC[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000095965773 441963592 /nfs/dbraw/zinc/96/35/92/441963592.db2.gz QFJRBDCTMYOXSE-RDJZCZTQSA-N 2 2 332.448 1.976 50 0 EDAALP CC[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000095965773 441963599 /nfs/dbraw/zinc/96/35/99/441963599.db2.gz QFJRBDCTMYOXSE-RDJZCZTQSA-N 2 2 332.448 1.976 50 0 EDAALP CNS(=O)(=O)c1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000097376337 442192439 /nfs/dbraw/zinc/19/24/39/442192439.db2.gz JGBFAICRTHPSSI-UHFFFAOYSA-N 2 2 334.445 1.346 50 0 EDAALP C[NH+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000252504396 443035593 /nfs/dbraw/zinc/03/55/93/443035593.db2.gz ASFFMJFTMQDKPH-KSZLIROESA-N 2 2 331.460 1.347 50 0 EDAALP Cn1ncc2c1nc(N1CCC(CCCn3cc[nH+]c3)CC1)[nH+]c2N ZINC000571363904 321384129 /nfs/dbraw/zinc/38/41/29/321384129.db2.gz DUAIEARXAUTENR-UHFFFAOYSA-N 2 2 340.435 1.839 50 0 EDAALP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1COCC[NH2+]1 ZINC000299738628 444128330 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CN(Cc1ccccc1OCC[NH+]1CCOCC1)C[C@H]1CCC[N@@H+]1C ZINC000215229838 241115429 /nfs/dbraw/zinc/11/54/29/241115429.db2.gz XFEOLWRMYABRKN-LJQANCHMSA-N 2 2 347.503 1.924 50 0 EDAALP CN(Cc1ccccc1OCC[NH+]1CCOCC1)C[C@H]1CCC[N@H+]1C ZINC000215229838 241115437 /nfs/dbraw/zinc/11/54/37/241115437.db2.gz XFEOLWRMYABRKN-LJQANCHMSA-N 2 2 347.503 1.924 50 0 EDAALP CNC(=O)c1[nH]nc2c1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000215732568 241144221 /nfs/dbraw/zinc/14/42/21/241144221.db2.gz KUNHYEWFHJETFC-UHFFFAOYSA-N 2 2 336.399 1.513 50 0 EDAALP CNC(=O)c1[nH]nc2c1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000215732568 241144228 /nfs/dbraw/zinc/14/42/28/241144228.db2.gz KUNHYEWFHJETFC-UHFFFAOYSA-N 2 2 336.399 1.513 50 0 EDAALP C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091468798 218011410 /nfs/dbraw/zinc/01/14/10/218011410.db2.gz HCEZVNDTHWJOOO-SFHVURJKSA-N 2 2 331.464 1.318 50 0 EDAALP C[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091468798 218011412 /nfs/dbraw/zinc/01/14/12/218011412.db2.gz HCEZVNDTHWJOOO-SFHVURJKSA-N 2 2 331.464 1.318 50 0 EDAALP C[N@@H+]1CCN(Cc2c[nH+]c[nH]2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091468798 218011414 /nfs/dbraw/zinc/01/14/14/218011414.db2.gz HCEZVNDTHWJOOO-SFHVURJKSA-N 2 2 331.464 1.318 50 0 EDAALP C[N@H+]1CCN(Cc2c[nH+]c[nH]2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091468798 218011417 /nfs/dbraw/zinc/01/14/17/218011417.db2.gz HCEZVNDTHWJOOO-SFHVURJKSA-N 2 2 331.464 1.318 50 0 EDAALP Cc1cc(C)c(C(=O)N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c(=O)[nH]1 ZINC000091550619 218020240 /nfs/dbraw/zinc/02/02/40/218020240.db2.gz YCUYZRDHEQJFHK-INIZCTEOSA-N 2 2 346.475 1.091 50 0 EDAALP Cc1cc(C)c(C(=O)N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)c(=O)[nH]1 ZINC000091550619 218020243 /nfs/dbraw/zinc/02/02/43/218020243.db2.gz YCUYZRDHEQJFHK-INIZCTEOSA-N 2 2 346.475 1.091 50 0 EDAALP CC[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(F)cc2F)C[C@@H]1CO ZINC000091664553 218042892 /nfs/dbraw/zinc/04/28/92/218042892.db2.gz RZMBLIAINPGAJY-HUUCEWRRSA-N 2 2 328.403 1.319 50 0 EDAALP CC[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(F)cc2F)C[C@@H]1CO ZINC000091664553 218042895 /nfs/dbraw/zinc/04/28/95/218042895.db2.gz RZMBLIAINPGAJY-HUUCEWRRSA-N 2 2 328.403 1.319 50 0 EDAALP CC[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@@H]1CO ZINC000091664553 218042897 /nfs/dbraw/zinc/04/28/97/218042897.db2.gz RZMBLIAINPGAJY-HUUCEWRRSA-N 2 2 328.403 1.319 50 0 EDAALP CC[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1CO ZINC000091664553 218042900 /nfs/dbraw/zinc/04/29/00/218042900.db2.gz RZMBLIAINPGAJY-HUUCEWRRSA-N 2 2 328.403 1.319 50 0 EDAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CO ZINC000091892959 218085000 /nfs/dbraw/zinc/08/50/00/218085000.db2.gz CHUVKIDMSYYYRM-HZPDHXFCSA-N 2 2 332.423 1.613 50 0 EDAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CO ZINC000091892959 218085002 /nfs/dbraw/zinc/08/50/02/218085002.db2.gz CHUVKIDMSYYYRM-HZPDHXFCSA-N 2 2 332.423 1.613 50 0 EDAALP CCn1nc(C)c(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1C ZINC000093562749 218233427 /nfs/dbraw/zinc/23/34/27/218233427.db2.gz DYWSNHUWFNWRDB-UHFFFAOYSA-N 2 2 343.479 1.698 50 0 EDAALP Cc1ccccc1[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000095352015 218285597 /nfs/dbraw/zinc/28/55/97/218285597.db2.gz JMJXSCJNMQGSDI-LJQANCHMSA-N 2 2 345.487 1.921 50 0 EDAALP C[NH+]1CCN(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)CC1 ZINC000091526142 277091464 /nfs/dbraw/zinc/09/14/64/277091464.db2.gz AEVIIWSXKQOPDO-FUHWJXTLSA-N 2 2 343.475 1.345 50 0 EDAALP C[NH+]1CCN(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)CC1 ZINC000091526142 277091465 /nfs/dbraw/zinc/09/14/65/277091465.db2.gz AEVIIWSXKQOPDO-FUHWJXTLSA-N 2 2 343.475 1.345 50 0 EDAALP COc1ccc(OC)c(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)c1 ZINC000045724030 441024032 /nfs/dbraw/zinc/02/40/32/441024032.db2.gz TZQOSHPGEASQSL-UHFFFAOYSA-N 2 2 343.431 1.707 50 0 EDAALP C[NH+](C)Cc1ccc(N2CC[NH+](CCOCC(F)(F)F)CC2)nc1 ZINC000071875049 441179004 /nfs/dbraw/zinc/17/90/04/441179004.db2.gz NGWQYTXRHXIPCY-UHFFFAOYSA-N 2 2 346.397 1.844 50 0 EDAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2cnc(C)cn2)c(C)[nH+]1 ZINC000071759777 441152489 /nfs/dbraw/zinc/15/24/89/441152489.db2.gz GECMLDMXENVVGE-GJZGRUSLSA-N 2 2 342.447 1.341 50 0 EDAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2cnc(C)cn2)c(C)[nH+]1 ZINC000071759777 441152491 /nfs/dbraw/zinc/15/24/91/441152491.db2.gz GECMLDMXENVVGE-GJZGRUSLSA-N 2 2 342.447 1.341 50 0 EDAALP CN(C)c1cc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc[nH+]1 ZINC000048273476 441282710 /nfs/dbraw/zinc/28/27/10/441282710.db2.gz ZTHINCXOQDEGSY-CQSZACIVSA-N 2 2 331.420 1.843 50 0 EDAALP Cc1nc(C2=CC[NH+](CC(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000065173590 441406048 /nfs/dbraw/zinc/40/60/48/441406048.db2.gz RIFXJTGTMRMFRZ-AWEZNQCLSA-N 2 2 347.463 1.458 50 0 EDAALP Cc1nc(C2=CC[NH+](CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000065173590 441406051 /nfs/dbraw/zinc/40/60/51/441406051.db2.gz RIFXJTGTMRMFRZ-AWEZNQCLSA-N 2 2 347.463 1.458 50 0 EDAALP Cc1nc(C2=CC[N@H+](CC(=O)NCC[NH+]3CCCC[C@@H]3C)CC2)no1 ZINC000065173590 441406052 /nfs/dbraw/zinc/40/60/52/441406052.db2.gz RIFXJTGTMRMFRZ-AWEZNQCLSA-N 2 2 347.463 1.458 50 0 EDAALP Cc1nc(C2=CC[N@@H+](CC(=O)NCC[NH+]3CCCC[C@@H]3C)CC2)no1 ZINC000065173590 441406053 /nfs/dbraw/zinc/40/60/53/441406053.db2.gz RIFXJTGTMRMFRZ-AWEZNQCLSA-N 2 2 347.463 1.458 50 0 EDAALP O=C(CCc1cc[nH+]c(N2CCCC2)c1)NCCC[NH+]1CCOCC1 ZINC000065269599 441413683 /nfs/dbraw/zinc/41/36/83/441413683.db2.gz UWNAZJMUUORSEA-UHFFFAOYSA-N 2 2 346.475 1.453 50 0 EDAALP C[C@H]1C[NH+](CCNC(=O)NCc2cc[nH+]c(N(C)C)c2)C[C@H](C)O1 ZINC000065430243 441431962 /nfs/dbraw/zinc/43/19/62/441431962.db2.gz CVFPIWCNGXXQEA-KBPBESRZSA-N 2 2 335.452 1.056 50 0 EDAALP Cc1ccc(NC[C@@H]2CC[N@H+](CCCNS(C)(=O)=O)C2)[nH+]c1 ZINC000065608332 441468947 /nfs/dbraw/zinc/46/89/47/441468947.db2.gz DXPSVIMAEDNFPG-AWEZNQCLSA-N 2 2 326.466 1.063 50 0 EDAALP Cc1ccc(NC[C@@H]2CC[N@@H+](CCCNS(C)(=O)=O)C2)[nH+]c1 ZINC000065608332 441468948 /nfs/dbraw/zinc/46/89/48/441468948.db2.gz DXPSVIMAEDNFPG-AWEZNQCLSA-N 2 2 326.466 1.063 50 0 EDAALP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000089761767 441576419 /nfs/dbraw/zinc/57/64/19/441576419.db2.gz SBVDEJSMGUDHGJ-AWEZNQCLSA-N 2 2 338.452 1.292 50 0 EDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1CCCCC1 ZINC000095984071 441969825 /nfs/dbraw/zinc/96/98/25/441969825.db2.gz SNASHRNGZHWWCJ-UHFFFAOYSA-N 2 2 345.553 1.854 50 0 EDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1CCCCC1 ZINC000095984071 441969829 /nfs/dbraw/zinc/96/98/29/441969829.db2.gz SNASHRNGZHWWCJ-UHFFFAOYSA-N 2 2 345.553 1.854 50 0 EDAALP CCc1cc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095508740 441942754 /nfs/dbraw/zinc/94/27/54/441942754.db2.gz QCFDFUXPUPZVIC-QGZVFWFLSA-N 3 2 344.507 1.560 50 0 EDAALP COCC[N@@H+](CC(N)=O)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000095521483 441947976 /nfs/dbraw/zinc/94/79/76/441947976.db2.gz RUKRTVDHFBBCOS-INIZCTEOSA-N 2 2 345.487 1.300 50 0 EDAALP COCC[N@H+](CC(N)=O)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000095521483 441947979 /nfs/dbraw/zinc/94/79/79/441947979.db2.gz RUKRTVDHFBBCOS-INIZCTEOSA-N 2 2 345.487 1.300 50 0 EDAALP COCC[NH+](CC(N)=O)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095521483 441947983 /nfs/dbraw/zinc/94/79/83/441947983.db2.gz RUKRTVDHFBBCOS-INIZCTEOSA-N 2 2 345.487 1.300 50 0 EDAALP COCC[NH+](CC(N)=O)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000095521483 441947984 /nfs/dbraw/zinc/94/79/84/441947984.db2.gz RUKRTVDHFBBCOS-INIZCTEOSA-N 2 2 345.487 1.300 50 0 EDAALP CCCn1[nH]ccc1=NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000255280674 443091547 /nfs/dbraw/zinc/09/15/47/443091547.db2.gz BDPGPYPHFQRFLY-OAHLLOKOSA-N 2 2 344.463 1.342 50 0 EDAALP CCCn1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000255280674 443091551 /nfs/dbraw/zinc/09/15/51/443091551.db2.gz BDPGPYPHFQRFLY-OAHLLOKOSA-N 2 2 344.463 1.342 50 0 EDAALP C[N@@H+](Cc1cc(F)ccc1Cl)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000225462597 443105268 /nfs/dbraw/zinc/10/52/68/443105268.db2.gz KFRDQOSNIRNNSH-OAHLLOKOSA-N 2 2 329.847 1.519 50 0 EDAALP C[N@H+](Cc1cc(F)ccc1Cl)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000225462597 443105274 /nfs/dbraw/zinc/10/52/74/443105274.db2.gz KFRDQOSNIRNNSH-OAHLLOKOSA-N 2 2 329.847 1.519 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000229583530 443130447 /nfs/dbraw/zinc/13/04/47/443130447.db2.gz JHRGWINGGWQRRO-IRXDYDNUSA-N 2 2 339.443 1.764 50 0 EDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000229583530 443130450 /nfs/dbraw/zinc/13/04/50/443130450.db2.gz JHRGWINGGWQRRO-IRXDYDNUSA-N 2 2 339.443 1.764 50 0 EDAALP C[NH+](C)C[C@H]1[C@@H]2CN(c3nc(N)[nH+]c(NCc4ccccc4)n3)C[C@H]12 ZINC000102780235 219229824 /nfs/dbraw/zinc/22/98/24/219229824.db2.gz JLNGBCLLKDXYLT-QKDCVEJESA-N 2 2 339.447 1.310 50 0 EDAALP C[NH+](C)C[C@H]1[C@@H]2CN(c3nc(NCc4ccccc4)nc(N)[nH+]3)C[C@H]12 ZINC000102780235 219229827 /nfs/dbraw/zinc/22/98/27/219229827.db2.gz JLNGBCLLKDXYLT-QKDCVEJESA-N 2 2 339.447 1.310 50 0 EDAALP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000072276047 216102521 /nfs/dbraw/zinc/10/25/21/216102521.db2.gz PMXVGGKJQJTLFR-OWCLPIDISA-N 2 2 349.479 1.349 50 0 EDAALP C[C@@H]1C[N@H+](CCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000072276047 216102525 /nfs/dbraw/zinc/10/25/25/216102525.db2.gz PMXVGGKJQJTLFR-OWCLPIDISA-N 2 2 349.479 1.349 50 0 EDAALP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000072276047 216102528 /nfs/dbraw/zinc/10/25/28/216102528.db2.gz PMXVGGKJQJTLFR-OWCLPIDISA-N 2 2 349.479 1.349 50 0 EDAALP C[C@@H]1C[N@H+](CCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000072276047 216102530 /nfs/dbraw/zinc/10/25/30/216102530.db2.gz PMXVGGKJQJTLFR-OWCLPIDISA-N 2 2 349.479 1.349 50 0 EDAALP Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072424972 216214706 /nfs/dbraw/zinc/21/47/06/216214706.db2.gz HRWRTLIZQGVVNP-HNNXBMFYSA-N 3 2 342.447 1.589 50 0 EDAALP OC[C@H]1CCCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000215539615 241132605 /nfs/dbraw/zinc/13/26/05/241132605.db2.gz MOYRXXVXZKMJJE-GOSISDBHSA-N 2 2 334.460 1.744 50 0 EDAALP OC[C@H]1CCCC[N@H+]1Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000215539615 241132610 /nfs/dbraw/zinc/13/26/10/241132610.db2.gz MOYRXXVXZKMJJE-GOSISDBHSA-N 2 2 334.460 1.744 50 0 EDAALP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(c2cccc[nH+]2)CC1 ZINC000229184462 242150899 /nfs/dbraw/zinc/15/08/99/242150899.db2.gz PSPXABQLXSCWIM-IRXDYDNUSA-N 2 2 343.475 1.976 50 0 EDAALP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN(c2cccc[nH+]2)CC1 ZINC000229184462 242150907 /nfs/dbraw/zinc/15/09/07/242150907.db2.gz PSPXABQLXSCWIM-IRXDYDNUSA-N 2 2 343.475 1.976 50 0 EDAALP Cn1c(C[NH+]2CCC(Cn3cccn3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244633268 243048406 /nfs/dbraw/zinc/04/84/06/243048406.db2.gz GACYKECYGORUEB-SHTZXODSSA-N 2 2 329.452 1.129 50 0 EDAALP C[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721158 139084211 /nfs/dbraw/zinc/08/42/11/139084211.db2.gz WCGVJUVBPOECAZ-JKSUJKDBSA-N 2 2 349.385 1.906 50 0 EDAALP C[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245721158 139084212 /nfs/dbraw/zinc/08/42/12/139084212.db2.gz WCGVJUVBPOECAZ-JKSUJKDBSA-N 2 2 349.385 1.906 50 0 EDAALP CCc1c(C)[nH+]c(N)nc1N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000095362274 218295045 /nfs/dbraw/zinc/29/50/45/218295045.db2.gz HYKCIMDPPPXNHR-HNNXBMFYSA-N 2 2 332.496 1.393 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000095380166 218312393 /nfs/dbraw/zinc/31/23/93/218312393.db2.gz FJZPKQREKJRNRF-OAHLLOKOSA-N 2 2 337.431 1.835 50 0 EDAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000095380166 218312395 /nfs/dbraw/zinc/31/23/95/218312395.db2.gz FJZPKQREKJRNRF-OAHLLOKOSA-N 2 2 337.431 1.835 50 0 EDAALP C[NH+]1CCC(O)(C(=O)N[C@H](CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000097334275 219013147 /nfs/dbraw/zinc/01/31/47/219013147.db2.gz DRFBARAZJTXWHA-QGZVFWFLSA-N 2 2 342.443 1.587 50 0 EDAALP O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000051994359 132182586 /nfs/dbraw/zinc/18/25/86/132182586.db2.gz LHDHFVFDOFTWTM-IRXDYDNUSA-N 2 2 344.459 1.374 50 0 EDAALP O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000051994359 132182589 /nfs/dbraw/zinc/18/25/89/132182589.db2.gz LHDHFVFDOFTWTM-IRXDYDNUSA-N 2 2 344.459 1.374 50 0 EDAALP CC(=O)N1CCC(C[N@@H+]2CCN(Cc3[nH+]ccn3C)[C@@H](C)C2)CC1 ZINC000071863868 441173291 /nfs/dbraw/zinc/17/32/91/441173291.db2.gz ATFCHWBKGDFUHD-HNNXBMFYSA-N 2 2 333.480 1.185 50 0 EDAALP CC(=O)N1CCC(C[N@H+]2CCN(Cc3[nH+]ccn3C)[C@@H](C)C2)CC1 ZINC000071863868 441173296 /nfs/dbraw/zinc/17/32/96/441173296.db2.gz ATFCHWBKGDFUHD-HNNXBMFYSA-N 2 2 333.480 1.185 50 0 EDAALP Cc1cccn2c(C[NH2+][C@@H]3CCN(S(C)(=O)=O)C[C@@H]3C)c[nH+]c12 ZINC000072300544 441227161 /nfs/dbraw/zinc/22/71/61/441227161.db2.gz CTUJAYZVKCJZBW-DZGCQCFKSA-N 2 2 336.461 1.402 50 0 EDAALP CC[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCN(C(=O)N(C)C)C3)CC1 ZINC000082166178 441338397 /nfs/dbraw/zinc/33/83/97/441338397.db2.gz WFUCCFKGRNCCPG-UHFFFAOYSA-N 2 2 348.495 1.344 50 0 EDAALP O=C1NCCN1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000084398245 441398558 /nfs/dbraw/zinc/39/85/58/441398558.db2.gz CUOQBDIYLSGBBE-UHFFFAOYSA-N 2 2 325.416 1.862 50 0 EDAALP Cc1cccc([C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CC2)[NH+](C)C)c1 ZINC000065460335 441438024 /nfs/dbraw/zinc/43/80/24/441438024.db2.gz LAZMCVMSBKPOST-SFHVURJKSA-N 2 2 345.487 1.826 50 0 EDAALP CCOC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568401 441545175 /nfs/dbraw/zinc/54/51/75/441545175.db2.gz CFGSZBCUETXVNC-HNNXBMFYSA-N 2 2 339.480 1.204 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000077440572 441780956 /nfs/dbraw/zinc/78/09/56/441780956.db2.gz VVLCGUAWAQZDGS-CQSZACIVSA-N 2 2 329.452 1.514 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000077440572 441780964 /nfs/dbraw/zinc/78/09/64/441780964.db2.gz VVLCGUAWAQZDGS-CQSZACIVSA-N 2 2 329.452 1.514 50 0 EDAALP CC[NH+]1CCN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000078953372 441997893 /nfs/dbraw/zinc/99/78/93/441997893.db2.gz ZBXVDHODTFYZSS-UHFFFAOYSA-N 2 2 327.432 1.779 50 0 EDAALP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000069741598 442028636 /nfs/dbraw/zinc/02/86/36/442028636.db2.gz IUYGKDIDZSFENH-UXHICEINSA-N 2 2 347.503 1.447 50 0 EDAALP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000069741598 442028642 /nfs/dbraw/zinc/02/86/42/442028642.db2.gz IUYGKDIDZSFENH-UXHICEINSA-N 2 2 347.503 1.447 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181142773 699164860 /nfs/dbraw/zinc/16/48/60/699164860.db2.gz ARRGNSYAWCKEGO-OAHLLOKOSA-N 2 2 338.415 1.542 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181142773 699164864 /nfs/dbraw/zinc/16/48/64/699164864.db2.gz ARRGNSYAWCKEGO-OAHLLOKOSA-N 2 2 338.415 1.542 50 0 EDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2F)[nH+]cn1 ZINC000036705838 213110920 /nfs/dbraw/zinc/11/09/20/213110920.db2.gz GHQKRXCHOPCXRT-UHFFFAOYSA-N 2 2 340.362 1.952 50 0 EDAALP C[NH+](C)CC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072164352 216053107 /nfs/dbraw/zinc/05/31/07/216053107.db2.gz YEXACACXMXFBRS-QXAKKESOSA-N 2 2 349.425 1.915 50 0 EDAALP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072167979 216059223 /nfs/dbraw/zinc/05/92/23/216059223.db2.gz MTZRHHDELVFEPD-UKTKYZJWSA-N 2 2 329.444 1.223 50 0 EDAALP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+]1CCOC[C@@H]1C ZINC000230120254 242233364 /nfs/dbraw/zinc/23/33/64/242233364.db2.gz OOJSZCNCMDSDBU-QXSJWSMHSA-N 2 2 326.485 1.268 50 0 EDAALP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@H+]1CCOC[C@@H]1C ZINC000230120254 242233368 /nfs/dbraw/zinc/23/33/68/242233368.db2.gz OOJSZCNCMDSDBU-QXSJWSMHSA-N 2 2 326.485 1.268 50 0 EDAALP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000091625282 218034103 /nfs/dbraw/zinc/03/41/03/218034103.db2.gz RDAXSZVYDNVYGF-SFHVURJKSA-N 2 2 343.471 1.599 50 0 EDAALP COCC[N@H+](C)C[C@@H]1C[NH+](Cc2cccc(F)c2F)C[C@@H]1CO ZINC000091664587 218043432 /nfs/dbraw/zinc/04/34/32/218043432.db2.gz NFOZCTCMOYSTAP-HUUCEWRRSA-N 2 2 328.403 1.583 50 0 EDAALP COCC[N@@H+](C)C[C@@H]1C[NH+](Cc2cccc(F)c2F)C[C@@H]1CO ZINC000091664587 218043435 /nfs/dbraw/zinc/04/34/35/218043435.db2.gz NFOZCTCMOYSTAP-HUUCEWRRSA-N 2 2 328.403 1.583 50 0 EDAALP COCC[NH+](C)C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1CO ZINC000091664587 218043436 /nfs/dbraw/zinc/04/34/36/218043436.db2.gz NFOZCTCMOYSTAP-HUUCEWRRSA-N 2 2 328.403 1.583 50 0 EDAALP COCC[NH+](C)C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@@H]1CO ZINC000091664587 218043439 /nfs/dbraw/zinc/04/34/39/218043439.db2.gz NFOZCTCMOYSTAP-HUUCEWRRSA-N 2 2 328.403 1.583 50 0 EDAALP COc1ccnc(C(=O)NCC(C)(C)[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000095397820 218330280 /nfs/dbraw/zinc/33/02/80/218330280.db2.gz NTSAQACBNAKIPF-UHFFFAOYSA-N 2 2 334.464 1.625 50 0 EDAALP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccn4cnnc34)CC2)CC1 ZINC000299795307 258099584 /nfs/dbraw/zinc/09/95/84/258099584.db2.gz KOUKRNPWJAZMSG-UHFFFAOYSA-N 2 2 342.447 1.018 50 0 EDAALP CCCc1c[nH+]c(C)nc1N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072421345 276056531 /nfs/dbraw/zinc/05/65/31/276056531.db2.gz UVEXGSLMQHPGSS-DLBZAZTESA-N 2 2 345.491 1.774 50 0 EDAALP CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000067433856 279598156 /nfs/dbraw/zinc/59/81/56/279598156.db2.gz LUKDSBVTIUOYFQ-DOMZBBRYSA-N 2 2 341.415 1.143 50 0 EDAALP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H](C)O1 ZINC000044949313 440920755 /nfs/dbraw/zinc/92/07/55/440920755.db2.gz DKKQNGKTJBBERR-ZNMIVQPWSA-N 2 2 338.452 1.291 50 0 EDAALP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H](C)O1 ZINC000044949313 440920760 /nfs/dbraw/zinc/92/07/60/440920760.db2.gz DKKQNGKTJBBERR-ZNMIVQPWSA-N 2 2 338.452 1.291 50 0 EDAALP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943536 441138718 /nfs/dbraw/zinc/13/87/18/441138718.db2.gz PSPXABQLXSCWIM-IAGOWNOFSA-N 2 2 343.475 1.976 50 0 EDAALP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943536 441138719 /nfs/dbraw/zinc/13/87/19/441138719.db2.gz PSPXABQLXSCWIM-IAGOWNOFSA-N 2 2 343.475 1.976 50 0 EDAALP C[C@H]1C[N@H+](CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC000071831069 441163656 /nfs/dbraw/zinc/16/36/56/441163656.db2.gz AERDNTYZGQQZQR-HNNXBMFYSA-N 2 2 332.448 1.230 50 0 EDAALP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC000071831069 441163660 /nfs/dbraw/zinc/16/36/60/441163660.db2.gz AERDNTYZGQQZQR-HNNXBMFYSA-N 2 2 332.448 1.230 50 0 EDAALP COc1ccc([C@H](CNC(=O)N[C@H](C)Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000061043235 441264571 /nfs/dbraw/zinc/26/45/71/441264571.db2.gz PARARYBIACJMDT-PBHICJAKSA-N 2 2 345.447 1.882 50 0 EDAALP Nc1nc(N2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)cc[nH+]1 ZINC000106986421 441396724 /nfs/dbraw/zinc/39/67/24/441396724.db2.gz GQBZOCDCMCYQBE-CQSZACIVSA-N 2 2 331.395 1.271 50 0 EDAALP Nc1nc(N2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)cc[nH+]1 ZINC000106986421 441396729 /nfs/dbraw/zinc/39/67/29/441396729.db2.gz GQBZOCDCMCYQBE-CQSZACIVSA-N 2 2 331.395 1.271 50 0 EDAALP Cc1nn(CC[NH+]2CCOCC2)cc1C[N@H+](C)CCc1ccccn1 ZINC000065388255 441422945 /nfs/dbraw/zinc/42/29/45/441422945.db2.gz BCKQORUTFKLTER-UHFFFAOYSA-N 2 2 343.475 1.593 50 0 EDAALP Cc1nn(CC[NH+]2CCOCC2)cc1C[N@@H+](C)CCc1ccccn1 ZINC000065388255 441422949 /nfs/dbraw/zinc/42/29/49/441422949.db2.gz BCKQORUTFKLTER-UHFFFAOYSA-N 2 2 343.475 1.593 50 0 EDAALP COc1ccc([C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000065440863 441434946 /nfs/dbraw/zinc/43/49/46/441434946.db2.gz AEBCXIDTENXHBR-XJKSGUPXSA-N 2 2 345.447 1.767 50 0 EDAALP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000108376562 441450131 /nfs/dbraw/zinc/45/01/31/441450131.db2.gz HTIUAYQXTSAXAE-NXOAAHMSSA-N 2 2 337.508 1.722 50 0 EDAALP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000108376562 441450135 /nfs/dbraw/zinc/45/01/35/441450135.db2.gz HTIUAYQXTSAXAE-NXOAAHMSSA-N 2 2 337.508 1.722 50 0 EDAALP O=C([C@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095511289 441944965 /nfs/dbraw/zinc/94/49/65/441944965.db2.gz DRRFCSIGKSOGKE-AWEZNQCLSA-N 2 2 345.472 1.703 50 0 EDAALP CCCc1cc(N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)nc(C)[nH+]1 ZINC000095523457 441949176 /nfs/dbraw/zinc/94/91/76/441949176.db2.gz MRWCFEDWHWVSJD-AWEZNQCLSA-N 2 2 342.447 1.803 50 0 EDAALP CCn1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000069655925 442002846 /nfs/dbraw/zinc/00/28/46/442002846.db2.gz VDXNTLUIKLDVPS-KRWDZBQOSA-N 2 2 347.507 1.812 50 0 EDAALP CCn1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000069655925 442002851 /nfs/dbraw/zinc/00/28/51/442002851.db2.gz VDXNTLUIKLDVPS-KRWDZBQOSA-N 2 2 347.507 1.812 50 0 EDAALP Cc1cnn(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000069901749 442071983 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1.349 50 0 EDAALP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000247209519 442841288 /nfs/dbraw/zinc/84/12/88/442841288.db2.gz PMXVGGKJQJTLFR-XHSDSOJGSA-N 2 2 349.479 1.349 50 0 EDAALP C[C@@H]1C[N@H+](CCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000247209519 442841289 /nfs/dbraw/zinc/84/12/89/442841289.db2.gz PMXVGGKJQJTLFR-XHSDSOJGSA-N 2 2 349.479 1.349 50 0 EDAALP C[NH+]1CCC(CNC(=O)CC2OCCCO2)([NH+]2CCCCC2)CC1 ZINC000189444648 442955146 /nfs/dbraw/zinc/95/51/46/442955146.db2.gz SOLOYWKTQJVDLS-UHFFFAOYSA-N 2 2 339.480 1.206 50 0 EDAALP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000237666465 443178428 /nfs/dbraw/zinc/17/84/28/443178428.db2.gz BMIZEZBNEAOXAV-SJLPKXTDSA-N 2 2 331.460 1.345 50 0 EDAALP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000237898673 443187966 /nfs/dbraw/zinc/18/79/66/443187966.db2.gz MEQWTEZDNGFUAZ-MAUKXSAKSA-N 2 2 331.460 1.653 50 0 EDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237166927 443162015 /nfs/dbraw/zinc/16/20/15/443162015.db2.gz LHSVQMYAZKPTTB-RDJZCZTQSA-N 2 2 331.460 1.857 50 0 EDAALP O[C@]1(C[N@@H+]2CC[C@@H](n3cncn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639595075 451963146 /nfs/dbraw/zinc/96/31/46/451963146.db2.gz FIQICDKQDGLNNW-MSOLQXFVSA-N 2 2 327.432 1.162 50 0 EDAALP O[C@]1(C[N@H+]2CC[C@@H](n3cncn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639595075 451963148 /nfs/dbraw/zinc/96/31/48/451963148.db2.gz FIQICDKQDGLNNW-MSOLQXFVSA-N 2 2 327.432 1.162 50 0 EDAALP O[C@]1(C[NH+]2CC[C@@H](n3cncn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639595075 451963153 /nfs/dbraw/zinc/96/31/53/451963153.db2.gz FIQICDKQDGLNNW-MSOLQXFVSA-N 2 2 327.432 1.162 50 0 EDAALP O[C@]1(C[NH+]2CC[C@@H](n3cncn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639595075 451963160 /nfs/dbraw/zinc/96/31/60/451963160.db2.gz FIQICDKQDGLNNW-MSOLQXFVSA-N 2 2 327.432 1.162 50 0 EDAALP CC(=O)N1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000095982254 526630919 /nfs/dbraw/zinc/63/09/19/526630919.db2.gz QZCJADFKWBMACK-UHFFFAOYSA-N 2 2 331.460 1.825 50 0 EDAALP CCCn1nc(C)c(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1C ZINC000093046481 528875254 /nfs/dbraw/zinc/87/52/54/528875254.db2.gz FVQDZVMBYJMZIK-UHFFFAOYSA-N 2 2 347.507 1.650 50 0 EDAALP COCCn1cc[nH+]c1[C@@H]1N(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1(C)C ZINC000888101985 591030744 /nfs/dbraw/zinc/03/07/44/591030744.db2.gz SUBHYBFJHROCKY-CABCVRRESA-N 2 2 346.475 1.829 50 0 EDAALP OCC1(O)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000067756393 215204729 /nfs/dbraw/zinc/20/47/29/215204729.db2.gz RXNYJKPRUXOMHN-GOSISDBHSA-N 2 2 334.460 1.097 50 0 EDAALP OCC1(O)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000067756393 215204732 /nfs/dbraw/zinc/20/47/32/215204732.db2.gz RXNYJKPRUXOMHN-GOSISDBHSA-N 2 2 334.460 1.097 50 0 EDAALP Cc1cccc(CN2CCC[C@](O)(C[NH2+]CC[NH+]3CCCC3)C2=O)c1 ZINC000067921353 215252018 /nfs/dbraw/zinc/25/20/18/215252018.db2.gz PEZALMOOYWJWRU-FQEVSTJZSA-N 2 2 345.487 1.534 50 0 EDAALP Cc1nccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000069173258 215366492 /nfs/dbraw/zinc/36/64/92/215366492.db2.gz CYVXZCBKVVHRPT-MRXNPFEDSA-N 2 2 325.416 1.902 50 0 EDAALP Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072125635 216017049 /nfs/dbraw/zinc/01/70/49/216017049.db2.gz VOQQLBSLDXLREW-QGZVFWFLSA-N 2 2 344.463 1.056 50 0 EDAALP COc1ccc(CCNC(=O)C[N@H+](C)C2CC[NH2+]CC2)c(OC)c1 ZINC000216278094 241180875 /nfs/dbraw/zinc/18/08/75/241180875.db2.gz WJPIEADULAEMOV-UHFFFAOYSA-N 2 2 335.448 1.046 50 0 EDAALP COc1ccc(CCNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c(OC)c1 ZINC000216278094 241180878 /nfs/dbraw/zinc/18/08/78/241180878.db2.gz WJPIEADULAEMOV-UHFFFAOYSA-N 2 2 335.448 1.046 50 0 EDAALP CCN(CC)C(=O)C1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000222926056 241579051 /nfs/dbraw/zinc/57/90/51/241579051.db2.gz HIKLAIHYSUYHJX-UHFFFAOYSA-N 2 2 346.479 1.348 50 0 EDAALP COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000091534929 218018152 /nfs/dbraw/zinc/01/81/52/218018152.db2.gz PGRCLGKIUUHPFW-KRWDZBQOSA-N 2 2 342.443 1.936 50 0 EDAALP Cc1cc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)nc(C)[nH+]1 ZINC000092703895 218160410 /nfs/dbraw/zinc/16/04/10/218160410.db2.gz USCAYOHZFURJBQ-UHFFFAOYSA-N 2 2 331.445 1.576 50 0 EDAALP C[NH+](C)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095352183 218285800 /nfs/dbraw/zinc/28/58/00/218285800.db2.gz NFVLFNUQFVSCTM-KRWDZBQOSA-N 2 2 336.455 1.182 50 0 EDAALP CN1CC[NH+](CCCNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095352183 218285803 /nfs/dbraw/zinc/28/58/03/218285803.db2.gz NFVLFNUQFVSCTM-KRWDZBQOSA-N 2 2 336.455 1.182 50 0 EDAALP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000095432358 218374975 /nfs/dbraw/zinc/37/49/75/218374975.db2.gz BILJRCCCRLLNAO-KRWDZBQOSA-N 2 2 338.540 1.638 50 0 EDAALP COc1cc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)cc2c1OCO2 ZINC000097572198 219036461 /nfs/dbraw/zinc/03/64/61/219036461.db2.gz MXKYVWGGOGRHCQ-UHFFFAOYSA-N 2 2 345.399 1.648 50 0 EDAALP Nc1[nH+]cnc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1Cl ZINC000302831236 258016769 /nfs/dbraw/zinc/01/67/69/258016769.db2.gz LBUHFQIGJRAOPD-QWHCGFSZSA-N 2 2 333.823 1.760 50 0 EDAALP Nc1[nH+]cnc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1Cl ZINC000302831236 258016770 /nfs/dbraw/zinc/01/67/70/258016770.db2.gz LBUHFQIGJRAOPD-QWHCGFSZSA-N 2 2 333.823 1.760 50 0 EDAALP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000122261680 222047941 /nfs/dbraw/zinc/04/79/41/222047941.db2.gz XFFDUJUFXVGUSW-YJBOKZPZSA-N 2 2 331.460 1.861 50 0 EDAALP O=C(NCc1cn2ccccc2[nH+]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426407565 447437470 /nfs/dbraw/zinc/43/74/70/447437470.db2.gz NPXXVBWOLBRVRL-UHFFFAOYSA-N 2 2 343.431 1.341 50 0 EDAALP CC[N@@H+]1CCC[C@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000046087446 441079834 /nfs/dbraw/zinc/07/98/34/441079834.db2.gz WUAWNWJGFZCYBH-LJQANCHMSA-N 2 2 335.467 1.790 50 0 EDAALP CC[N@H+]1CCC[C@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000046087446 441079837 /nfs/dbraw/zinc/07/98/37/441079837.db2.gz WUAWNWJGFZCYBH-LJQANCHMSA-N 2 2 335.467 1.790 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000014215210 441179252 /nfs/dbraw/zinc/17/92/52/441179252.db2.gz GCQWTRQXTCHKQG-OAHLLOKOSA-N 2 2 338.415 1.676 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000014215210 441179253 /nfs/dbraw/zinc/17/92/53/441179253.db2.gz GCQWTRQXTCHKQG-OAHLLOKOSA-N 2 2 338.415 1.676 50 0 EDAALP CCn1c(C[NH2+]CCC[NH+]2CCC(C(N)=O)CC2)nc2ccccc21 ZINC000071817028 441158813 /nfs/dbraw/zinc/15/88/13/441158813.db2.gz UOYVFGOYUJPKIY-UHFFFAOYSA-N 2 2 343.475 1.733 50 0 EDAALP CCCc1c[nH+]c(C)nc1N1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000072160893 441206226 /nfs/dbraw/zinc/20/62/26/441206226.db2.gz VQBHJVCBOVCIAZ-IAGOWNOFSA-N 2 2 334.464 1.134 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000075146778 441503618 /nfs/dbraw/zinc/50/36/18/441503618.db2.gz ARGAZUYUOQXDGJ-JKSUJKDBSA-N 2 2 335.452 1.168 50 0 EDAALP O=C([C@@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095508346 441942873 /nfs/dbraw/zinc/94/28/73/441942873.db2.gz RWYBPXJLEGPURM-MRXNPFEDSA-N 2 2 339.443 1.642 50 0 EDAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000095516521 441944058 /nfs/dbraw/zinc/94/40/58/441944058.db2.gz FLPYEBFLYLBCJE-UHFFFAOYSA-N 2 2 328.416 1.627 50 0 EDAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000096149187 442045466 /nfs/dbraw/zinc/04/54/66/442045466.db2.gz FICQWUCIPMKEQD-UHFFFAOYSA-N 2 2 344.463 1.014 50 0 EDAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000096149187 442045472 /nfs/dbraw/zinc/04/54/72/442045472.db2.gz FICQWUCIPMKEQD-UHFFFAOYSA-N 2 2 344.463 1.014 50 0 EDAALP Cc1noc2nc(C3CC3)cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c12 ZINC000097019737 442156360 /nfs/dbraw/zinc/15/63/60/442156360.db2.gz SNYBIAPXYFALQG-GFCCVEGCSA-N 2 2 329.404 1.124 50 0 EDAALP Cc1noc2nc(C3CC3)cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c12 ZINC000097019737 442156363 /nfs/dbraw/zinc/15/63/63/442156363.db2.gz SNYBIAPXYFALQG-GFCCVEGCSA-N 2 2 329.404 1.124 50 0 EDAALP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000156340986 442470243 /nfs/dbraw/zinc/47/02/43/442470243.db2.gz LQQGORZBEQPYLB-CRAIPNDOSA-N 2 2 331.460 1.718 50 0 EDAALP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000195529989 443029229 /nfs/dbraw/zinc/02/92/29/443029229.db2.gz GYSQQAWVSMLSMG-UHFFFAOYSA-N 2 2 340.431 1.565 50 0 EDAALP CC[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000221871186 443073944 /nfs/dbraw/zinc/07/39/44/443073944.db2.gz QFJRBDCTMYOXSE-DOTOQJQBSA-N 2 2 332.448 1.976 50 0 EDAALP CC[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000221871186 443073949 /nfs/dbraw/zinc/07/39/49/443073949.db2.gz QFJRBDCTMYOXSE-DOTOQJQBSA-N 2 2 332.448 1.976 50 0 EDAALP CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000257174389 443117057 /nfs/dbraw/zinc/11/70/57/443117057.db2.gz GHUXPXVEUCEWMY-MOPGFXCFSA-N 2 2 345.487 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CCc1c[nH+]c(C)nc1N1CCC([NH2+]CCCn2cncn2)CC1 ZINC000096141941 442043824 /nfs/dbraw/zinc/04/38/24/442043824.db2.gz LJHZJVHTLCMUSV-UHFFFAOYSA-N 2 2 329.452 1.588 50 0 EDAALP OCCn1ncc2c1nc[nH+]c2NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000097199731 442183650 /nfs/dbraw/zinc/18/36/50/442183650.db2.gz DDJYAHHVVSFUGH-UHFFFAOYSA-N 2 2 349.398 1.676 50 0 EDAALP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3nncs3)C2)[nH+]1 ZINC000097200941 442184221 /nfs/dbraw/zinc/18/42/21/442184221.db2.gz CZDRDKYWNVWHSW-LBPRGKRZSA-N 2 2 332.433 1.614 50 0 EDAALP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3nncs3)C2)[nH+]1 ZINC000097200941 442184224 /nfs/dbraw/zinc/18/42/24/442184224.db2.gz CZDRDKYWNVWHSW-LBPRGKRZSA-N 2 2 332.433 1.614 50 0 EDAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000219874444 443061047 /nfs/dbraw/zinc/06/10/47/443061047.db2.gz FNEILEPDBXEGQK-KRWDZBQOSA-N 2 2 328.416 1.254 50 0 EDAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000219874444 443061051 /nfs/dbraw/zinc/06/10/51/443061051.db2.gz 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216244889 /nfs/dbraw/zinc/24/48/89/216244889.db2.gz JDTYDKPEMRONKR-KBPBESRZSA-N 2 2 347.488 1.829 50 0 EDAALP CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000215755561 241144811 /nfs/dbraw/zinc/14/48/11/241144811.db2.gz XRXQCAFBTWNBOE-ZDUSSCGKSA-N 2 2 330.432 1.962 50 0 EDAALP Cc1c[nH]c(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)[nH+]1 ZINC000230153497 242239911 /nfs/dbraw/zinc/23/99/11/242239911.db2.gz IFVJITDELZHIOR-LJQANCHMSA-N 2 2 345.491 1.627 50 0 EDAALP Cc1c[nH]c(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)[nH+]1 ZINC000230153497 242239915 /nfs/dbraw/zinc/23/99/15/242239915.db2.gz IFVJITDELZHIOR-LJQANCHMSA-N 2 2 345.491 1.627 50 0 EDAALP Cc1cc(N2CCC[N@@H+](CC(=O)Nc3ccn(C)n3)CC2)cc[nH+]1 ZINC000244595086 243040195 /nfs/dbraw/zinc/04/01/95/243040195.db2.gz DOKFZZZDRDFPHO-UHFFFAOYSA-N 2 2 328.420 1.274 50 0 EDAALP Cc1cc(N2CCC[N@H+](CC(=O)Nc3ccn(C)n3)CC2)cc[nH+]1 ZINC000244595086 243040199 /nfs/dbraw/zinc/04/01/99/243040199.db2.gz DOKFZZZDRDFPHO-UHFFFAOYSA-N 2 2 328.420 1.274 50 0 EDAALP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(Cl)c1OC ZINC000092003395 218101652 /nfs/dbraw/zinc/10/16/52/218101652.db2.gz HQVXYXDGVLXTRE-ZIAGYGMSSA-N 2 2 342.867 1.959 50 0 EDAALP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(Cl)c1OC ZINC000092003395 218101653 /nfs/dbraw/zinc/10/16/53/218101653.db2.gz HQVXYXDGVLXTRE-ZIAGYGMSSA-N 2 2 342.867 1.959 50 0 EDAALP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOC4(CCCC4)C3)cn2)CC1 ZINC000093589140 218234199 /nfs/dbraw/zinc/23/41/99/218234199.db2.gz YVHLDBHLYCKVCJ-UHFFFAOYSA-N 2 2 331.464 1.373 50 0 EDAALP C[NH+]1CCN(c2ncc(C[N@H+]3CCOC4(CCCC4)C3)cn2)CC1 ZINC000093589140 218234201 /nfs/dbraw/zinc/23/42/01/218234201.db2.gz YVHLDBHLYCKVCJ-UHFFFAOYSA-N 2 2 331.464 1.373 50 0 EDAALP COc1cc(Br)cc(C[NH2+]CCC[NH2+]CCO)c1OC ZINC000020968331 286191424 /nfs/dbraw/zinc/19/14/24/286191424.db2.gz YGNDVKRLMHIRSM-UHFFFAOYSA-N 2 2 347.253 1.528 50 0 EDAALP CCOC(=O)c1c[nH+]c2ccccc2c1NCCC[NH+]1CCOCC1 ZINC000005958593 440973803 /nfs/dbraw/zinc/97/38/03/440973803.db2.gz LTBUNCBYIDTFJK-UHFFFAOYSA-N 2 2 343.427 1.968 50 0 EDAALP COc1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)nn1C ZINC000058298922 441174973 /nfs/dbraw/zinc/17/49/73/441174973.db2.gz UHPPVTOMVCYLSY-UHFFFAOYSA-N 2 2 344.459 1.859 50 0 EDAALP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000071916800 441196241 /nfs/dbraw/zinc/19/62/41/441196241.db2.gz CAMIOEVAJJBZEF-QGZVFWFLSA-N 2 2 334.464 1.840 50 0 EDAALP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000072295742 441224648 /nfs/dbraw/zinc/22/46/48/441224648.db2.gz DFQOOEYKRRTMMD-IEBWSBKVSA-N 2 2 344.503 1.798 50 0 EDAALP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000072295742 441224650 /nfs/dbraw/zinc/22/46/50/441224650.db2.gz DFQOOEYKRRTMMD-IEBWSBKVSA-N 2 2 344.503 1.798 50 0 EDAALP O=C(C[NH+]1CCC(c2[nH+]ccn2CC2CC2)CC1)N1CCOCC1 ZINC000082166381 441338453 /nfs/dbraw/zinc/33/84/53/441338453.db2.gz RDBJIIRIBVZTQT-UHFFFAOYSA-N 2 2 332.448 1.331 50 0 EDAALP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1ccco1 ZINC000048380313 441301000 /nfs/dbraw/zinc/30/10/00/441301000.db2.gz ALQXOSXYJJMKGZ-AWEZNQCLSA-N 2 2 325.372 1.893 50 0 EDAALP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000106775628 441369156 /nfs/dbraw/zinc/36/91/56/441369156.db2.gz MIOVRHRMXMBWNI-IAGOWNOFSA-N 2 2 344.459 1.366 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000106775628 441369162 /nfs/dbraw/zinc/36/91/62/441369162.db2.gz MIOVRHRMXMBWNI-IAGOWNOFSA-N 2 2 344.459 1.366 50 0 EDAALP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000078933063 441994904 /nfs/dbraw/zinc/99/49/04/441994904.db2.gz UUGGNQHONDGVDM-INIZCTEOSA-N 2 2 338.496 1.415 50 0 EDAALP O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000096151102 442046738 /nfs/dbraw/zinc/04/67/38/442046738.db2.gz DHUGMTPWVBJHDE-LPHOPBHVSA-N 2 2 346.475 1.924 50 0 EDAALP O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000096151102 442046743 /nfs/dbraw/zinc/04/67/43/442046743.db2.gz DHUGMTPWVBJHDE-LPHOPBHVSA-N 2 2 346.475 1.924 50 0 EDAALP O=C([O-])[C@]12C[NH+](CCCn3cc[nH+]c3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000096151102 442046747 /nfs/dbraw/zinc/04/67/47/442046747.db2.gz DHUGMTPWVBJHDE-LPHOPBHVSA-N 2 2 346.475 1.924 50 0 EDAALP O=C([O-])[C@]12C[NH+](CCCn3cc[nH+]c3)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000096151102 442046752 /nfs/dbraw/zinc/04/67/52/442046752.db2.gz DHUGMTPWVBJHDE-LPHOPBHVSA-N 2 2 346.475 1.924 50 0 EDAALP CN(C)c1nc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc[nH+]1 ZINC000096493071 442143823 /nfs/dbraw/zinc/14/38/23/442143823.db2.gz GKHNYDUKTOCBKU-AEFFLSMTSA-N 2 2 339.443 1.323 50 0 EDAALP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(-c2cccnc2)n1 ZINC000097160068 442177041 /nfs/dbraw/zinc/17/70/41/442177041.db2.gz YJRKGDHSLCNAOA-KRWDZBQOSA-N 2 2 329.448 1.419 50 0 EDAALP c1cnc(N2CC[NH+](C3CC[NH+](CC4CCOCC4)CC3)CC2)nc1 ZINC000252507784 443037530 /nfs/dbraw/zinc/03/75/30/443037530.db2.gz WTXKYLOLDLCQKN-UHFFFAOYSA-N 2 2 345.491 1.490 50 0 EDAALP CCc1[nH+]ccn1CCNC(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426503175 447460081 /nfs/dbraw/zinc/46/00/81/447460081.db2.gz KTJCJSZYVLOUHS-QGZVFWFLSA-N 2 2 344.415 1.593 50 0 EDAALP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)C[NH+](C)C1CC[NH2+]CC1 ZINC000534664773 448462601 /nfs/dbraw/zinc/46/26/01/448462601.db2.gz YODYGQKBPJQJMU-UHFFFAOYSA-N 3 2 330.476 1.274 50 0 EDAALP CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)C[NH+](C)C1CC[NH2+]CC1 ZINC000534664773 448462605 /nfs/dbraw/zinc/46/26/05/448462605.db2.gz YODYGQKBPJQJMU-UHFFFAOYSA-N 3 2 330.476 1.274 50 0 EDAALP CN(Cc1ccc2c(c1)C[NH+](C)C2)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000534664773 448462611 /nfs/dbraw/zinc/46/26/11/448462611.db2.gz YODYGQKBPJQJMU-UHFFFAOYSA-N 3 2 330.476 1.274 50 0 EDAALP CN(Cc1ccc2c(c1)C[NH+](C)C2)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000534664773 448462616 /nfs/dbraw/zinc/46/26/16/448462616.db2.gz YODYGQKBPJQJMU-UHFFFAOYSA-N 3 2 330.476 1.274 50 0 EDAALP COC[C@@H](C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1 ZINC000090631512 485865092 /nfs/dbraw/zinc/86/50/92/485865092.db2.gz IKSNPQFSPNHFKZ-CQSZACIVSA-N 2 2 343.431 1.368 50 0 EDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CSc3ccccn3)C2)CC1 ZINC000012306243 711383244 /nfs/dbraw/zinc/38/32/44/711383244.db2.gz YKHKJFHCBMIZBA-HNNXBMFYSA-N 2 2 348.516 1.849 50 0 EDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CSc3ccccn3)C2)CC1 ZINC000012306243 711383247 /nfs/dbraw/zinc/38/32/47/711383247.db2.gz YKHKJFHCBMIZBA-HNNXBMFYSA-N 2 2 348.516 1.849 50 0 EDAALP C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1 ZINC000072120921 216013777 /nfs/dbraw/zinc/01/37/77/216013777.db2.gz VWGWSIPGYKLBBQ-KRWDZBQOSA-N 2 2 335.835 1.680 50 0 EDAALP C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1 ZINC000072120921 216013780 /nfs/dbraw/zinc/01/37/80/216013780.db2.gz VWGWSIPGYKLBBQ-KRWDZBQOSA-N 2 2 335.835 1.680 50 0 EDAALP C[NH+](C)[C@@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccc2c(c1)OCO2 ZINC000072149783 216038404 /nfs/dbraw/zinc/03/84/04/216038404.db2.gz YQUYTUUVIKTMAX-MRXNPFEDSA-N 2 2 328.372 1.257 50 0 EDAALP OC[C@H]1CCCN1c1cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC000072276016 216101381 /nfs/dbraw/zinc/10/13/81/216101381.db2.gz QPGSQMSFLDUKOP-MRXNPFEDSA-N 2 2 340.431 1.159 50 0 EDAALP OC[C@H]1CCCN1c1cc(N2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000072276016 216101385 /nfs/dbraw/zinc/10/13/85/216101385.db2.gz QPGSQMSFLDUKOP-MRXNPFEDSA-N 2 2 340.431 1.159 50 0 EDAALP C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000218981651 241357473 /nfs/dbraw/zinc/35/74/73/241357473.db2.gz WKZWHWRRMVQEDS-BZZMCLGOSA-N 2 2 335.423 1.091 50 0 EDAALP C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000218981651 241357474 /nfs/dbraw/zinc/35/74/74/241357474.db2.gz WKZWHWRRMVQEDS-BZZMCLGOSA-N 2 2 335.423 1.091 50 0 EDAALP CSc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091745208 218056939 /nfs/dbraw/zinc/05/69/39/218056939.db2.gz IKGHXTUILNTROF-IAGOWNOFSA-N 2 2 336.501 1.781 50 0 EDAALP CSc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091745208 218056941 /nfs/dbraw/zinc/05/69/41/218056941.db2.gz IKGHXTUILNTROF-IAGOWNOFSA-N 2 2 336.501 1.781 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1C ZINC000095388125 218319158 /nfs/dbraw/zinc/31/91/58/218319158.db2.gz BALFGLUENRLLKU-CQSZACIVSA-N 2 2 340.435 1.471 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1C ZINC000095388125 218319162 /nfs/dbraw/zinc/31/91/62/218319162.db2.gz BALFGLUENRLLKU-CQSZACIVSA-N 2 2 340.435 1.471 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1C ZINC000095388125 218319165 /nfs/dbraw/zinc/31/91/65/218319165.db2.gz BALFGLUENRLLKU-CQSZACIVSA-N 2 2 340.435 1.471 50 0 EDAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1C ZINC000095388125 218319167 /nfs/dbraw/zinc/31/91/67/218319167.db2.gz BALFGLUENRLLKU-CQSZACIVSA-N 2 2 340.435 1.471 50 0 EDAALP CCC[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000095422605 218364975 /nfs/dbraw/zinc/36/49/75/218364975.db2.gz NRBCVHRNTQKRPM-HNNXBMFYSA-N 2 2 339.505 1.901 50 0 EDAALP Cc1ccn2cc(CNC(=O)C[C@@H]3C[N@H+](C(C)C)CCO3)[nH+]c2c1 ZINC000299787235 258093756 /nfs/dbraw/zinc/09/37/56/258093756.db2.gz VULPFQVEAIAIIN-MRXNPFEDSA-N 2 2 330.432 1.758 50 0 EDAALP Cc1ccn2cc(CNC(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)[nH+]c2c1 ZINC000299787235 258093757 /nfs/dbraw/zinc/09/37/57/258093757.db2.gz VULPFQVEAIAIIN-MRXNPFEDSA-N 2 2 330.432 1.758 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000044951648 440922880 /nfs/dbraw/zinc/92/28/80/440922880.db2.gz QBXZPSLAFYFEET-MRXNPFEDSA-N 2 2 349.479 1.304 50 0 EDAALP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000044951648 440922885 /nfs/dbraw/zinc/92/28/85/440922885.db2.gz QBXZPSLAFYFEET-MRXNPFEDSA-N 2 2 349.479 1.304 50 0 EDAALP Cc1cc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000010988258 441117063 /nfs/dbraw/zinc/11/70/63/441117063.db2.gz ZXWXRFABFWOCML-OAHLLOKOSA-N 2 2 331.464 1.699 50 0 EDAALP Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)[nH+]cn1 ZINC000071763884 441152749 /nfs/dbraw/zinc/15/27/49/441152749.db2.gz NYFWRSKZQCGLQQ-CYBMUJFWSA-N 2 2 344.463 1.018 50 0 EDAALP Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)[nH+]cn1 ZINC000071763884 441152751 /nfs/dbraw/zinc/15/27/51/441152751.db2.gz NYFWRSKZQCGLQQ-CYBMUJFWSA-N 2 2 344.463 1.018 50 0 EDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000082086690 441329310 /nfs/dbraw/zinc/32/93/10/441329310.db2.gz PAZYKXWVIFWGBM-KRWDZBQOSA-N 3 2 345.422 1.153 50 0 EDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000082086690 441329312 /nfs/dbraw/zinc/32/93/12/441329312.db2.gz PAZYKXWVIFWGBM-KRWDZBQOSA-N 3 2 345.422 1.153 50 0 EDAALP CN(C)c1[nH+]cc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)n1C ZINC000073618551 441333343 /nfs/dbraw/zinc/33/33/43/441333343.db2.gz KNZXNCAZUQPGSM-UHFFFAOYSA-N 2 2 349.479 1.137 50 0 EDAALP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000089375334 441543508 /nfs/dbraw/zinc/54/35/08/441543508.db2.gz XIKGGMYVJPIGGF-GOSISDBHSA-N 2 2 337.508 1.964 50 0 EDAALP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000089375334 441543509 /nfs/dbraw/zinc/54/35/09/441543509.db2.gz XIKGGMYVJPIGGF-GOSISDBHSA-N 2 2 337.508 1.964 50 0 EDAALP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)o1 ZINC000195557267 443031774 /nfs/dbraw/zinc/03/17/74/443031774.db2.gz MXTWLAGJFWIXBT-HZPDHXFCSA-N 2 2 335.448 1.562 50 0 EDAALP CCn1c(C[N@H+](C)CCCc2[nH+]ccn2C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223253869 443086979 /nfs/dbraw/zinc/08/69/79/443086979.db2.gz IMVHPODXFTULKI-OKILXGFUSA-N 3 2 331.468 1.301 50 0 EDAALP CCn1c(C[N@@H+](C)CCCc2[nH+]ccn2C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223253869 443086983 /nfs/dbraw/zinc/08/69/83/443086983.db2.gz IMVHPODXFTULKI-OKILXGFUSA-N 3 2 331.468 1.301 50 0 EDAALP C[NH+](C)Cc1ccccc1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219998654 443063023 /nfs/dbraw/zinc/06/30/23/443063023.db2.gz QUDVSVBIRZZGPD-UHFFFAOYSA-N 3 2 326.448 1.937 50 0 EDAALP COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000253419503 443063760 /nfs/dbraw/zinc/06/37/60/443063760.db2.gz ODJDNNRODVCSTK-ZDUSSCGKSA-N 2 2 326.360 1.159 50 0 EDAALP COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000253419503 443063765 /nfs/dbraw/zinc/06/37/65/443063765.db2.gz ODJDNNRODVCSTK-ZDUSSCGKSA-N 2 2 326.360 1.159 50 0 EDAALP CCO[C@H]1C[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1O ZINC000220735931 443069057 /nfs/dbraw/zinc/06/90/57/443069057.db2.gz ZUKKEOFOQBCTSI-WMZOPIPTSA-N 2 2 331.416 1.544 50 0 EDAALP CCO[C@H]1C[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1O ZINC000220735931 443069059 /nfs/dbraw/zinc/06/90/59/443069059.db2.gz ZUKKEOFOQBCTSI-WMZOPIPTSA-N 2 2 331.416 1.544 50 0 EDAALP COCCn1c(C[NH2+]Cc2c(C)noc2C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222236967 443075824 /nfs/dbraw/zinc/07/58/24/443075824.db2.gz GAJTYYVARCISQN-BETUJISGSA-N 2 2 334.424 1.024 50 0 EDAALP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000343449662 445225087 /nfs/dbraw/zinc/22/50/87/445225087.db2.gz QMZAMZQYQCVOJX-MAUKXSAKSA-N 2 2 328.464 1.859 50 0 EDAALP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000343449662 445225089 /nfs/dbraw/zinc/22/50/89/445225089.db2.gz QMZAMZQYQCVOJX-MAUKXSAKSA-N 2 2 328.464 1.859 50 0 EDAALP Cc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc([C@H]2CCOC2)n1 ZINC000426596437 447477953 /nfs/dbraw/zinc/47/79/53/447477953.db2.gz FNAGGXQXORIADX-HNNXBMFYSA-N 2 2 333.480 1.727 50 0 EDAALP Cc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426596437 447477956 /nfs/dbraw/zinc/47/79/56/447477956.db2.gz FNAGGXQXORIADX-HNNXBMFYSA-N 3 2 333.480 1.727 50 0 EDAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000071776378 491166889 /nfs/dbraw/zinc/16/68/89/491166889.db2.gz HNDOGPAWTCDMPE-MRXNPFEDSA-N 3 2 347.507 1.953 50 0 EDAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N(C)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000071776378 491166891 /nfs/dbraw/zinc/16/68/91/491166891.db2.gz HNDOGPAWTCDMPE-MRXNPFEDSA-N 3 2 347.507 1.953 50 0 EDAALP COc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC000806533894 593456442 /nfs/dbraw/zinc/45/64/42/593456442.db2.gz LJPYLQWERDDUNV-UHFFFAOYSA-N 2 2 342.443 1.752 50 0 EDAALP CC[NH+]1CCC(NC(=O)CN2CCc3c([nH+]cn3C3CC3)C2)CC1 ZINC000069483756 215436020 /nfs/dbraw/zinc/43/60/20/215436020.db2.gz MMFKFERNIBQGDM-UHFFFAOYSA-N 2 2 331.464 1.177 50 0 EDAALP Cn1cc[nH+]c1CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095404152 237023730 /nfs/dbraw/zinc/02/37/30/237023730.db2.gz ZLBZIAAWUYEHRK-QGZVFWFLSA-N 2 2 342.443 1.370 50 0 EDAALP Cn1cc[nH+]c1CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095404152 237023741 /nfs/dbraw/zinc/02/37/41/237023741.db2.gz ZLBZIAAWUYEHRK-QGZVFWFLSA-N 2 2 342.443 1.370 50 0 EDAALP CCn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000011695746 211239252 /nfs/dbraw/zinc/23/92/52/211239252.db2.gz RCKQNUBXBNPSHY-UHFFFAOYSA-N 2 2 327.432 1.341 50 0 EDAALP CCCn1ncc(C(=O)N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)c1C 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2 2 325.420 1.757 50 0 EDAALP Nc1cc(N)[nH+]c(SCCCCSc2nc(N)cc(N)[nH+]2)n1 ZINC000002828989 440879659 /nfs/dbraw/zinc/87/96/59/440879659.db2.gz PIMXWBXDJGYCAJ-UHFFFAOYSA-N 2 2 338.466 1.260 50 0 EDAALP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000071820859 441159568 /nfs/dbraw/zinc/15/95/68/441159568.db2.gz MXGIMWDOEHIPSI-UHFFFAOYSA-N 2 2 325.416 1.968 50 0 EDAALP CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072426658 441231629 /nfs/dbraw/zinc/23/16/29/441231629.db2.gz QYAHAECFMIEZFE-OAHLLOKOSA-N 2 2 347.507 1.740 50 0 EDAALP CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072426658 441231634 /nfs/dbraw/zinc/23/16/34/441231634.db2.gz QYAHAECFMIEZFE-OAHLLOKOSA-N 2 2 347.507 1.740 50 0 EDAALP COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H](C)C(C)(C)C[NH+](C)C ZINC000072296164 441225193 /nfs/dbraw/zinc/22/51/93/441225193.db2.gz QOELQJCSHTZNTL-LLVKDONJSA-N 2 2 334.424 1.388 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000048342894 441295300 /nfs/dbraw/zinc/29/53/00/441295300.db2.gz WGUVGYFBEFXEFN-HNNXBMFYSA-N 2 2 327.432 1.629 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000048342894 441295304 /nfs/dbraw/zinc/29/53/04/441295304.db2.gz WGUVGYFBEFXEFN-HNNXBMFYSA-N 2 2 327.432 1.629 50 0 EDAALP COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003591 441611579 /nfs/dbraw/zinc/61/15/79/441611579.db2.gz HWXWTRCYPDFJLX-PBHICJAKSA-N 2 2 328.416 1.984 50 0 EDAALP COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003591 441611585 /nfs/dbraw/zinc/61/15/85/441611585.db2.gz HWXWTRCYPDFJLX-PBHICJAKSA-N 2 2 328.416 1.984 50 0 EDAALP C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000069413724 441928756 /nfs/dbraw/zinc/92/87/56/441928756.db2.gz AWFGVKAOWCRJRG-OAHLLOKOSA-N 2 2 347.488 1.267 50 0 EDAALP CC(C)Nc1cc(N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)nc[nH+]1 ZINC000095506350 441941511 /nfs/dbraw/zinc/94/15/11/441941511.db2.gz MAWHPLDLSZGUGI-INIZCTEOSA-N 2 2 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ZINC000069601647 441987231 /nfs/dbraw/zinc/98/72/31/441987231.db2.gz WYDBREHFTYNSRJ-RTBURBONSA-N 2 2 349.523 1.842 50 0 EDAALP Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2C[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000069601647 441987236 /nfs/dbraw/zinc/98/72/36/441987236.db2.gz WYDBREHFTYNSRJ-RTBURBONSA-N 2 2 349.523 1.842 50 0 EDAALP CS[C@@H]1CC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000096452379 442136269 /nfs/dbraw/zinc/13/62/69/442136269.db2.gz JHPFRALIVFSIKM-UKRRQHHQSA-N 2 2 328.526 1.596 50 0 EDAALP Cc1cc(N2CCN(C(=O)C3([NH3+])CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000096999941 442154358 /nfs/dbraw/zinc/15/43/58/442154358.db2.gz DZSYKDXAPDWHJC-UHFFFAOYSA-N 2 2 331.464 1.829 50 0 EDAALP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000076019208 491016641 /nfs/dbraw/zinc/01/66/41/491016641.db2.gz JCXGBBPIAKCXAC-KRWDZBQOSA-N 2 2 343.431 1.999 50 0 EDAALP C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000187966602 534078898 /nfs/dbraw/zinc/07/88/98/534078898.db2.gz 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O=C(C[N@H+]1CCC[C@H](O)C1)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000072429391 216220922 /nfs/dbraw/zinc/22/09/22/216220922.db2.gz DECAEYMQZYBBLQ-KRWDZBQOSA-N 2 2 349.450 1.317 50 0 EDAALP O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCC[NH+](Cc2ccccc2F)CC1 ZINC000072429391 216220926 /nfs/dbraw/zinc/22/09/26/216220926.db2.gz DECAEYMQZYBBLQ-KRWDZBQOSA-N 2 2 349.450 1.317 50 0 EDAALP O=C(C[NH+]1CCC[C@H](O)C1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000072429391 216220927 /nfs/dbraw/zinc/22/09/27/216220927.db2.gz DECAEYMQZYBBLQ-KRWDZBQOSA-N 2 2 349.450 1.317 50 0 EDAALP O=C(C[NH+]1CCC[C@H](O)C1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000072429391 216220930 /nfs/dbraw/zinc/22/09/30/216220930.db2.gz DECAEYMQZYBBLQ-KRWDZBQOSA-N 2 2 349.450 1.317 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000072436729 216232348 /nfs/dbraw/zinc/23/23/48/216232348.db2.gz YTZVGHYZNFEJLP-AWEZNQCLSA-N 2 2 348.495 1.244 50 0 EDAALP CCc1n[nH]c2c1C[N@H+](Cc1nnc([C@H]3C[C@@H]([NH3+])C3)n1CC)CC2 ZINC000244817169 243088140 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CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc(C)cn2)CC1 ZINC000253599279 443075236 /nfs/dbraw/zinc/07/52/36/443075236.db2.gz GTMTVXYGZHPORV-SJORKVTESA-N 2 2 333.480 1.209 50 0 EDAALP Cc1noc([C@@]23C[N@H+](CCO)C[C@@H]2CC[NH+](Cc2ccccc2)C3)n1 ZINC000257192958 443122537 /nfs/dbraw/zinc/12/25/37/443122537.db2.gz WOLFGFDSTWNYOW-HKUYNNGSSA-N 2 2 342.443 1.446 50 0 EDAALP Cc1noc([C@@]23C[N@@H+](CCO)C[C@@H]2CC[NH+](Cc2ccccc2)C3)n1 ZINC000257192958 443122538 /nfs/dbraw/zinc/12/25/38/443122538.db2.gz WOLFGFDSTWNYOW-HKUYNNGSSA-N 2 2 342.443 1.446 50 0 EDAALP Cc1noc([C@@]23C[NH+](CCO)C[C@@H]2CC[N@H+](Cc2ccccc2)C3)n1 ZINC000257192958 443122540 /nfs/dbraw/zinc/12/25/40/443122540.db2.gz WOLFGFDSTWNYOW-HKUYNNGSSA-N 2 2 342.443 1.446 50 0 EDAALP Cc1noc([C@@]23C[NH+](CCO)C[C@@H]2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC000257192958 443122542 /nfs/dbraw/zinc/12/25/42/443122542.db2.gz WOLFGFDSTWNYOW-HKUYNNGSSA-N 2 2 342.443 1.446 50 0 EDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1F 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1.246 50 0 EDAALP Nc1nc(N2CCC(Oc3cc[nH+]cc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244626617 243043318 /nfs/dbraw/zinc/04/33/18/243043318.db2.gz FPGWLTUXFUKNDG-BETUJISGSA-N 2 2 341.415 1.740 50 0 EDAALP Nc1nc(NCC[C@H]2COc3ccccc3O2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072425231 203221011 /nfs/dbraw/zinc/22/10/11/203221011.db2.gz YELQKBASNCUIGP-LBPRGKRZSA-N 2 2 341.415 1.389 50 0 EDAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000077457905 203389617 /nfs/dbraw/zinc/38/96/17/203389617.db2.gz FZQWKTWKHAIMTH-UHFFFAOYSA-N 2 2 344.463 1.014 50 0 EDAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000077457905 203389620 /nfs/dbraw/zinc/38/96/20/203389620.db2.gz FZQWKTWKHAIMTH-UHFFFAOYSA-N 2 2 344.463 1.014 50 0 EDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Cc2ccccc2)[nH+]cn1 ZINC000096544715 203894618 /nfs/dbraw/zinc/89/46/18/203894618.db2.gz DSIQNUYVCNSWCJ-UHFFFAOYSA-N 2 2 336.399 1.742 50 0 EDAALP COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000067818160 291520552 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O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000058332564 441180596 /nfs/dbraw/zinc/18/05/96/441180596.db2.gz GVFBNIXOUFEIGB-KRWDZBQOSA-N 2 2 349.450 1.486 50 0 EDAALP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)n1cc[nH+]c1 ZINC000058217955 441160910 /nfs/dbraw/zinc/16/09/10/441160910.db2.gz ZAPIEPGYRHZGPT-OAHLLOKOSA-N 2 2 328.416 1.958 50 0 EDAALP CCc1cc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)n2ncnc2n1 ZINC000022335369 441279875 /nfs/dbraw/zinc/27/98/75/441279875.db2.gz TTWQKNVZWROYST-OAHLLOKOSA-N 2 2 343.479 1.151 50 0 EDAALP CCc1cc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)n2ncnc2n1 ZINC000022335369 441279879 /nfs/dbraw/zinc/27/98/79/441279879.db2.gz TTWQKNVZWROYST-OAHLLOKOSA-N 2 2 343.479 1.151 50 0 EDAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)CN3CCCC3=O)c2cc1C ZINC000048345990 441296179 /nfs/dbraw/zinc/29/61/79/441296179.db2.gz LKTLMRWYDCGHKR-JKSUJKDBSA-N 2 2 344.459 1.615 50 0 EDAALP Cc1cc(C[NH+]2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)on1 ZINC000065487660 441443625 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CC(C)c1nccc(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067714477 441671347 /nfs/dbraw/zinc/67/13/47/441671347.db2.gz ZAXAYKFEMQAYBO-UHFFFAOYSA-N 2 2 345.491 1.842 50 0 EDAALP CC(C)c1nccc(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067714477 441671351 /nfs/dbraw/zinc/67/13/51/441671351.db2.gz ZAXAYKFEMQAYBO-UHFFFAOYSA-N 2 2 345.491 1.842 50 0 EDAALP O=C(C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)N1CCOCC1 ZINC000095394643 441918469 /nfs/dbraw/zinc/91/84/69/441918469.db2.gz BAJLUWNSZNQCBA-UHFFFAOYSA-N 2 2 340.427 1.216 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000192268947 442624984 /nfs/dbraw/zinc/62/49/84/442624984.db2.gz RYWAXJXTOMBTPD-HNNXBMFYSA-N 2 2 335.452 1.082 50 0 EDAALP CC(C)C[N@H+]1CCO[C@@H](CNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000192268947 442624987 /nfs/dbraw/zinc/62/49/87/442624987.db2.gz RYWAXJXTOMBTPD-HNNXBMFYSA-N 2 2 335.452 1.082 50 0 EDAALP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000192268947 442624992 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EDAALP Cc1cccc(NC(=O)CCNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000670437467 486513901 /nfs/dbraw/zinc/51/39/01/486513901.db2.gz CJJVNEXODAADSY-UHFFFAOYSA-N 2 2 332.448 1.124 50 0 EDAALP Cc1cccc(NC(=O)CCNC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000670437467 486513906 /nfs/dbraw/zinc/51/39/06/486513906.db2.gz CJJVNEXODAADSY-UHFFFAOYSA-N 2 2 332.448 1.124 50 0 EDAALP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000237086818 204372997 /nfs/dbraw/zinc/37/29/97/204372997.db2.gz YZNWQNQSYMTMPP-KRWDZBQOSA-N 2 2 331.460 1.872 50 0 EDAALP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000237086818 204373000 /nfs/dbraw/zinc/37/30/00/204373000.db2.gz YZNWQNQSYMTMPP-KRWDZBQOSA-N 2 2 331.460 1.872 50 0 EDAALP CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000299778142 258087536 /nfs/dbraw/zinc/08/75/36/258087536.db2.gz OMSWSEXIYZUSJC-SFHVURJKSA-N 2 2 347.459 1.951 50 0 EDAALP CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000299778142 258087538 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0 EDAALP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000058048089 441149827 /nfs/dbraw/zinc/14/98/27/441149827.db2.gz YQSFTJGSRVZBGS-UHFFFAOYSA-N 2 2 334.383 1.625 50 0 EDAALP Cn1cc(N2CCC[C@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)cn1 ZINC000084318616 441392081 /nfs/dbraw/zinc/39/20/81/441392081.db2.gz MGJQWLZASHOUPZ-ZFWWWQNUSA-N 2 2 328.420 1.279 50 0 EDAALP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC000065383220 441421879 /nfs/dbraw/zinc/42/18/79/441421879.db2.gz KZYLVUUQBAKTPX-KRWDZBQOSA-N 2 2 339.443 1.115 50 0 EDAALP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC000065383220 441421883 /nfs/dbraw/zinc/42/18/83/441421883.db2.gz KZYLVUUQBAKTPX-KRWDZBQOSA-N 2 2 339.443 1.115 50 0 EDAALP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000075128134 441499163 /nfs/dbraw/zinc/49/91/63/441499163.db2.gz JGKFJNSXQOSOKS-HNNXBMFYSA-N 2 2 331.464 1.644 50 0 EDAALP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000075128134 441499165 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325.416 1.897 50 0 EDAALP CCCCSc1nc(N)cc(N2CC[C@@](O)(C[NH+](C)C)C2)[nH+]1 ZINC000095353972 441911886 /nfs/dbraw/zinc/91/18/86/441911886.db2.gz SQJVBCNZKKDNPA-OAHLLOKOSA-N 2 2 325.482 1.454 50 0 EDAALP CC(=O)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc1 ZINC000095379915 441916808 /nfs/dbraw/zinc/91/68/08/441916808.db2.gz ZAMYRWKXUBYOSG-RTBURBONSA-N 2 2 346.471 1.386 50 0 EDAALP CC(=O)c1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc1 ZINC000095379915 441916813 /nfs/dbraw/zinc/91/68/13/441916813.db2.gz ZAMYRWKXUBYOSG-RTBURBONSA-N 2 2 346.471 1.386 50 0 EDAALP C[C@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000096414939 442120126 /nfs/dbraw/zinc/12/01/26/442120126.db2.gz XOMJIRFCRRGFOH-RDJZCZTQSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000096414939 442120132 /nfs/dbraw/zinc/12/01/32/442120132.db2.gz XOMJIRFCRRGFOH-RDJZCZTQSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@H]1C[C@@H]([N@H+](C)CCNS(C)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000096414939 442120137 /nfs/dbraw/zinc/12/01/37/442120137.db2.gz XOMJIRFCRRGFOH-RDJZCZTQSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@H]1C[C@@H]([N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000096414939 442120138 /nfs/dbraw/zinc/12/01/38/442120138.db2.gz XOMJIRFCRRGFOH-RDJZCZTQSA-N 2 2 339.505 1.521 50 0 EDAALP O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097213121 442187794 /nfs/dbraw/zinc/18/77/94/442187794.db2.gz OZIAKNZBUCABRO-AWEZNQCLSA-N 2 2 328.416 1.653 50 0 EDAALP O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097213121 442187796 /nfs/dbraw/zinc/18/77/96/442187796.db2.gz OZIAKNZBUCABRO-AWEZNQCLSA-N 2 2 328.416 1.653 50 0 EDAALP O=C1[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C(=O)N1c1ccccc1 ZINC000097370613 442191573 /nfs/dbraw/zinc/19/15/73/442191573.db2.gz VJOXIIDXABCSDS-HNNXBMFYSA-N 2 2 325.372 1.036 50 0 EDAALP O=C1[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C(=O)N1c1ccccc1 ZINC000097370613 442191576 /nfs/dbraw/zinc/19/15/76/442191576.db2.gz VJOXIIDXABCSDS-HNNXBMFYSA-N 2 2 325.372 1.036 50 0 EDAALP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000182893284 442844103 /nfs/dbraw/zinc/84/41/03/442844103.db2.gz RTFNKHPEXIVICN-SFHVURJKSA-N 2 2 327.476 1.936 50 0 EDAALP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000182893284 442844107 /nfs/dbraw/zinc/84/41/07/442844107.db2.gz RTFNKHPEXIVICN-SFHVURJKSA-N 2 2 327.476 1.936 50 0 EDAALP Cc1cccn2c(C[NH2+][C@@H]3CCN(S(C)(=O)=O)C[C@H]3C)c[nH+]c12 ZINC000252667128 443046123 /nfs/dbraw/zinc/04/61/23/443046123.db2.gz CTUJAYZVKCJZBW-UKRRQHHQSA-N 2 2 336.461 1.402 50 0 EDAALP C[C@H](C(=O)N1CCC(Oc2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000426642917 447484403 /nfs/dbraw/zinc/48/44/03/447484403.db2.gz PEQOQTZVQASCAU-OAHLLOKOSA-N 2 2 332.448 1.087 50 0 EDAALP Cc1c[nH]c(CN(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000670441952 486520196 /nfs/dbraw/zinc/52/01/96/486520196.db2.gz MDLIRCBRWBRGLW-UHFFFAOYSA-N 2 2 348.495 1.418 50 0 EDAALP C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CC2)C1 ZINC000072148877 203171650 /nfs/dbraw/zinc/17/16/50/203171650.db2.gz KKWQUUWECUSHGY-LJQANCHMSA-N 2 2 342.443 1.439 50 0 EDAALP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000072290941 203194560 /nfs/dbraw/zinc/19/45/60/203194560.db2.gz IHWXCROZHNHGQT-UHFFFAOYSA-N 2 2 343.431 1.931 50 0 EDAALP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(C)[nH+]c(SC)n3)CC[C@H]21 ZINC000072468160 203229184 /nfs/dbraw/zinc/22/91/84/203229184.db2.gz FUNDXOQUOKACFA-UONOGXRCSA-N 2 2 349.504 1.544 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000075146789 203308176 /nfs/dbraw/zinc/30/81/76/203308176.db2.gz ARGAZUYUOQXDGJ-HOTGVXAUSA-N 2 2 335.452 1.168 50 0 EDAALP CC[NH+]1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000083751849 203518795 /nfs/dbraw/zinc/51/87/95/203518795.db2.gz BNQUVISAIBGVNZ-UHFFFAOYSA-N 2 2 341.459 1.973 50 0 EDAALP CC(=O)N1CCC(C[N@@H+]2CCN(Cc3[nH+]ccn3C)[C@H](C)C2)CC1 ZINC000071863866 441173227 /nfs/dbraw/zinc/17/32/27/441173227.db2.gz ATFCHWBKGDFUHD-OAHLLOKOSA-N 2 2 333.480 1.185 50 0 EDAALP CC(=O)N1CCC(C[N@H+]2CCN(Cc3[nH+]ccn3C)[C@H](C)C2)CC1 ZINC000071863866 441173229 /nfs/dbraw/zinc/17/32/29/441173229.db2.gz ATFCHWBKGDFUHD-OAHLLOKOSA-N 2 2 333.480 1.185 50 0 EDAALP CN(C)c1cc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc[nH+]1 ZINC000048273473 441282332 /nfs/dbraw/zinc/28/23/32/441282332.db2.gz ZTHINCXOQDEGSY-AWEZNQCLSA-N 2 2 331.420 1.843 50 0 EDAALP C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H]1C(N)=O ZINC000073271416 441306839 /nfs/dbraw/zinc/30/68/39/441306839.db2.gz BHKMYUZUMBDAAK-WMLDXEAASA-N 2 2 344.459 1.559 50 0 EDAALP C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H]1C(N)=O ZINC000073271416 441306842 /nfs/dbraw/zinc/30/68/42/441306842.db2.gz BHKMYUZUMBDAAK-WMLDXEAASA-N 2 2 344.459 1.559 50 0 EDAALP C[C@H]1CCC[NH+]1CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000073271416 441306845 /nfs/dbraw/zinc/30/68/45/441306845.db2.gz BHKMYUZUMBDAAK-WMLDXEAASA-N 2 2 344.459 1.559 50 0 EDAALP C[C@H]1CCC[NH+]1CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000073271416 441306846 /nfs/dbraw/zinc/30/68/46/441306846.db2.gz BHKMYUZUMBDAAK-WMLDXEAASA-N 2 2 344.459 1.559 50 0 EDAALP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)c2cnn(C)c2)n1-c1ccccc1 ZINC000084046959 441382297 /nfs/dbraw/zinc/38/22/97/441382297.db2.gz BUQZYDFMISALEU-GOSISDBHSA-N 2 2 325.416 1.912 50 0 EDAALP O[C@H]1CCN(c2cc[nH+]c(N3CCC([NH+]4CCCCC4)CC3)n2)C1 ZINC000065393780 441422992 /nfs/dbraw/zinc/42/29/92/441422992.db2.gz VDMQXCPJNBBHTQ-INIZCTEOSA-N 2 2 331.464 1.502 50 0 EDAALP COc1ccc([C@H](NC(=O)NC[C@@H](C)[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000065440861 441435106 /nfs/dbraw/zinc/43/51/06/441435106.db2.gz AEBCXIDTENXHBR-CJNGLKHVSA-N 2 2 345.447 1.767 50 0 EDAALP CCOc1ccc(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)o1 ZINC000067434009 441640419 /nfs/dbraw/zinc/64/04/19/441640419.db2.gz OWQQOEHEKTXTCQ-UHFFFAOYSA-N 2 2 335.448 1.920 50 0 EDAALP CCOc1ccc(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)o1 ZINC000067434009 441640421 /nfs/dbraw/zinc/64/04/21/441640421.db2.gz OWQQOEHEKTXTCQ-UHFFFAOYSA-N 2 2 335.448 1.920 50 0 EDAALP O=C1[C@H]2CC[C@H](C[N@H+](CCCn3cc[nH+]c3)C2)N1Cc1cscn1 ZINC000095507777 441941966 /nfs/dbraw/zinc/94/19/66/441941966.db2.gz RFDAMTFNZUVBFW-GOEBONIOSA-N 2 2 345.472 1.853 50 0 EDAALP O=C1[C@H]2CC[C@H](C[N@@H+](CCCn3cc[nH+]c3)C2)N1Cc1cscn1 ZINC000095507777 441941971 /nfs/dbraw/zinc/94/19/71/441941971.db2.gz RFDAMTFNZUVBFW-GOEBONIOSA-N 2 2 345.472 1.853 50 0 EDAALP C[N@H+](Cc1cnc2cnccn12)C1CC[NH+](CCn2cccn2)CC1 ZINC000121198919 442190450 /nfs/dbraw/zinc/19/04/50/442190450.db2.gz MWUSSGKYAMUDJK-UHFFFAOYSA-N 2 2 339.447 1.522 50 0 EDAALP C[N@@H+](Cc1cnc2cnccn12)C1CC[NH+](CCn2cccn2)CC1 ZINC000121198919 442190456 /nfs/dbraw/zinc/19/04/56/442190456.db2.gz MWUSSGKYAMUDJK-UHFFFAOYSA-N 2 2 339.447 1.522 50 0 EDAALP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000186441938 442535410 /nfs/dbraw/zinc/53/54/10/442535410.db2.gz KSHRZHAYQSNOBW-KRWDZBQOSA-N 2 2 332.448 1.866 50 0 EDAALP Cc1[nH+]ccn1CC1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)CC1 ZINC000219998816 443062828 /nfs/dbraw/zinc/06/28/28/443062828.db2.gz LVVVFMZEUQEUHW-UHFFFAOYSA-N 2 2 341.459 1.957 50 0 EDAALP Cc1[nH+]ccn1CC1CCN(C(=O)C[N@H+](C)Cc2cccnc2)CC1 ZINC000219998816 443062832 /nfs/dbraw/zinc/06/28/32/443062832.db2.gz LVVVFMZEUQEUHW-UHFFFAOYSA-N 2 2 341.459 1.957 50 0 EDAALP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1[NH+]1CCOCC1 ZINC000084735806 486282568 /nfs/dbraw/zinc/28/25/68/486282568.db2.gz AMVASXUAGQUWSM-DLBZAZTESA-N 2 2 334.464 1.541 50 0 EDAALP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCc3cocn3)[nH+]cn2)C1 ZINC000685942131 539582050 /nfs/dbraw/zinc/58/20/50/539582050.db2.gz LKPSUOYIMZAVDY-KBPBESRZSA-N 2 2 332.408 1.232 50 0 EDAALP c1n[nH]cc1O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000685940829 539578313 /nfs/dbraw/zinc/57/83/13/539578313.db2.gz JFXSEECPKMDIGZ-ZWKOTPCHSA-N 2 2 343.431 1.205 50 0 EDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(C)nn(C)c2Cl)nc[nH+]1 ZINC000075132705 202374376 /nfs/dbraw/zinc/37/43/76/202374376.db2.gz DEHMEDANLCGTEG-LBPRGKRZSA-N 2 2 349.870 1.972 50 0 EDAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000216359511 241185404 /nfs/dbraw/zinc/18/54/04/241185404.db2.gz RTKHMQUHRDVEFI-HNNXBMFYSA-N 2 2 328.416 1.664 50 0 EDAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000216359511 241185405 /nfs/dbraw/zinc/18/54/05/241185405.db2.gz RTKHMQUHRDVEFI-HNNXBMFYSA-N 2 2 328.416 1.664 50 0 EDAALP Cc1[nH+]cnc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1C ZINC000072462991 203228013 /nfs/dbraw/zinc/22/80/13/203228013.db2.gz BLMTWWYBLFHXMJ-IBGZPJMESA-N 2 2 345.491 1.864 50 0 EDAALP CN(C)C(=O)c1[nH]nc2c1C[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072411921 203217566 /nfs/dbraw/zinc/21/75/66/203217566.db2.gz NSAQDHDBHKDUPY-WMLDXEAASA-N 2 2 345.491 1.734 50 0 EDAALP CN(C)C(=O)c1[nH]nc2c1C[N@@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072411921 203217569 /nfs/dbraw/zinc/21/75/69/203217569.db2.gz NSAQDHDBHKDUPY-WMLDXEAASA-N 2 2 345.491 1.734 50 0 EDAALP CN(C)C(=O)c1[nH]nc2c1C[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000072411921 203217572 /nfs/dbraw/zinc/21/75/72/203217572.db2.gz NSAQDHDBHKDUPY-WMLDXEAASA-N 2 2 345.491 1.734 50 0 EDAALP CN(C)C(=O)c1[nH]nc2c1C[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000072411921 203217574 /nfs/dbraw/zinc/21/75/74/203217574.db2.gz NSAQDHDBHKDUPY-WMLDXEAASA-N 2 2 345.491 1.734 50 0 EDAALP O[C@@]1(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)C[NH2+]CCOC1 ZINC000077297912 203378857 /nfs/dbraw/zinc/37/88/57/203378857.db2.gz QPHNXZRVLVQQCC-LJQANCHMSA-N 2 2 345.418 1.574 50 0 EDAALP O[C@@]1(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)C[NH2+]CCOC1 ZINC000077297912 203378860 /nfs/dbraw/zinc/37/88/60/203378860.db2.gz QPHNXZRVLVQQCC-LJQANCHMSA-N 2 2 345.418 1.574 50 0 EDAALP COCCNc1[nH+]c2cc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)ccc2n1C ZINC000077522143 203393827 /nfs/dbraw/zinc/39/38/27/203393827.db2.gz KMMXLALCFJCBJZ-XJKSGUPXSA-N 2 2 343.431 1.066 50 0 EDAALP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000237976662 139065593 /nfs/dbraw/zinc/06/55/93/139065593.db2.gz PIOQFOGRNNQQBD-JKSUJKDBSA-N 2 2 341.459 1.496 50 0 EDAALP C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000095968270 298789106 /nfs/dbraw/zinc/78/91/06/298789106.db2.gz QXZHKHQYBYKNBP-HUUCEWRRSA-N 2 2 340.489 1.709 50 0 EDAALP Cc1cccn2c(C[NH2+][C@H]3CCN(S(C)(=O)=O)C[C@H]3C)c[nH+]c12 ZINC000106918537 441390033 /nfs/dbraw/zinc/39/00/33/441390033.db2.gz CTUJAYZVKCJZBW-HIFRSBDPSA-N 2 2 336.461 1.402 50 0 EDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000065564402 441460103 /nfs/dbraw/zinc/46/01/03/441460103.db2.gz WVGPMIYAPNQJML-HNNXBMFYSA-N 2 2 328.420 1.194 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NC[C@@H](C[NH+](C)C)[C@H](O)c1ccccc1 ZINC000042099610 441703686 /nfs/dbraw/zinc/70/36/86/441703686.db2.gz JDYDZIQURNPSND-GOEBONIOSA-N 2 2 340.431 1.687 50 0 EDAALP CCC[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000091536133 441712135 /nfs/dbraw/zinc/71/21/35/441712135.db2.gz LCJLHOMOCUTTPF-HOTGVXAUSA-N 2 2 347.463 1.156 50 0 EDAALP CCC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000091536133 441712139 /nfs/dbraw/zinc/71/21/39/441712139.db2.gz LCJLHOMOCUTTPF-HOTGVXAUSA-N 2 2 347.463 1.156 50 0 EDAALP CCNc1ncc(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067742430 441675832 /nfs/dbraw/zinc/67/58/32/441675832.db2.gz CXXXPZLXCNDLKU-UHFFFAOYSA-N 2 2 346.479 1.151 50 0 EDAALP CCNc1ncc(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)cn1 ZINC000067742430 441675837 /nfs/dbraw/zinc/67/58/37/441675837.db2.gz CXXXPZLXCNDLKU-UHFFFAOYSA-N 2 2 346.479 1.151 50 0 EDAALP C[NH+](C)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000095376747 441915717 /nfs/dbraw/zinc/91/57/17/441915717.db2.gz LQGYBBQSISCJGP-KRWDZBQOSA-N 2 2 336.455 1.182 50 0 EDAALP CN1CC[NH+](CCCNC(=O)[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095376747 441915720 /nfs/dbraw/zinc/91/57/20/441915720.db2.gz LQGYBBQSISCJGP-KRWDZBQOSA-N 2 2 336.455 1.182 50 0 EDAALP COc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000095421500 441924882 /nfs/dbraw/zinc/92/48/82/441924882.db2.gz NSCIKMRAESRMMW-HXUWFJFHSA-N 3 2 346.519 1.668 50 0 EDAALP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000095432357 441925028 /nfs/dbraw/zinc/92/50/28/441925028.db2.gz BILJRCCCRLLNAO-QGZVFWFLSA-N 2 2 338.540 1.638 50 0 EDAALP C[NH+]1CCC(O)(C(=O)N[C@@H](CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000097334274 442191887 /nfs/dbraw/zinc/19/18/87/442191887.db2.gz DRFBARAZJTXWHA-KRWDZBQOSA-N 2 2 342.443 1.587 50 0 EDAALP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000097378512 442192839 /nfs/dbraw/zinc/19/28/39/442192839.db2.gz QDVJUMYKONDTQH-DLBZAZTESA-N 2 2 345.491 1.954 50 0 EDAALP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000097378512 442192842 /nfs/dbraw/zinc/19/28/42/442192842.db2.gz QDVJUMYKONDTQH-DLBZAZTESA-N 2 2 345.491 1.954 50 0 EDAALP CC[N@H+]1C[C@@H]2CC[NH+](Cc3cccnc3)C[C@]2(c2nc(C)no2)C1 ZINC000257178284 443117424 /nfs/dbraw/zinc/11/74/24/443117424.db2.gz ZVCNXZZHNMPNFI-FUHWJXTLSA-N 2 2 327.432 1.868 50 0 EDAALP CC[NH+]1C[C@@H]2CC[N@H+](Cc3cccnc3)C[C@]2(c2nc(C)no2)C1 ZINC000257178284 443117430 /nfs/dbraw/zinc/11/74/30/443117430.db2.gz ZVCNXZZHNMPNFI-FUHWJXTLSA-N 2 2 327.432 1.868 50 0 EDAALP CC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@]2(c2nc(C)no2)C1 ZINC000257178284 443117432 /nfs/dbraw/zinc/11/74/32/443117432.db2.gz ZVCNXZZHNMPNFI-FUHWJXTLSA-N 2 2 327.432 1.868 50 0 EDAALP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H](C)n1cccn1 ZINC000241884880 443209006 /nfs/dbraw/zinc/20/90/06/443209006.db2.gz SYMGGIRTUUNZCJ-TXPKVOOTSA-N 2 2 328.460 1.841 50 0 EDAALP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H](C)n1cccn1 ZINC000241884880 443209013 /nfs/dbraw/zinc/20/90/13/443209013.db2.gz SYMGGIRTUUNZCJ-TXPKVOOTSA-N 2 2 328.460 1.841 50 0 EDAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000584886699 448664217 /nfs/dbraw/zinc/66/42/17/448664217.db2.gz UJFFVIVMMPAXQS-INIZCTEOSA-N 2 2 328.416 1.673 50 0 EDAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000584886699 448664219 /nfs/dbraw/zinc/66/42/19/448664219.db2.gz UJFFVIVMMPAXQS-INIZCTEOSA-N 2 2 328.416 1.673 50 0 EDAALP CC1CC[NH+](CCCNC(=O)N(CCO)Cc2[nH+]ccn2C)CC1 ZINC000584893444 448667964 /nfs/dbraw/zinc/66/79/64/448667964.db2.gz ARAYPQVAMUOSOE-UHFFFAOYSA-N 2 2 337.468 1.046 50 0 EDAALP Cc1[nH+]cn(CCNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)c1C ZINC000222989826 485802335 /nfs/dbraw/zinc/80/23/35/485802335.db2.gz GSJFRTVEFFXJCF-KRWDZBQOSA-N 3 2 333.480 1.175 50 0 EDAALP Cc1[nH+]cn(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)c1C ZINC000222989826 485802346 /nfs/dbraw/zinc/80/23/46/485802346.db2.gz GSJFRTVEFFXJCF-KRWDZBQOSA-N 3 2 333.480 1.175 50 0 EDAALP Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181245307 699309196 /nfs/dbraw/zinc/30/91/96/699309196.db2.gz XOHXHJGNVDFNJJ-HNNXBMFYSA-N 2 2 347.463 1.785 50 0 EDAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2O)CC1 ZINC000011753457 709118160 /nfs/dbraw/zinc/11/81/60/709118160.db2.gz GASUAXKOKALUST-RTBURBONSA-N 2 2 329.444 1.560 50 0 EDAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2O)CC1 ZINC000011753457 709118163 /nfs/dbraw/zinc/11/81/63/709118163.db2.gz GASUAXKOKALUST-RTBURBONSA-N 2 2 329.444 1.560 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072434247 216229645 /nfs/dbraw/zinc/22/96/45/216229645.db2.gz IQMLWILQMSWRAM-OAHLLOKOSA-N 3 2 332.496 1.342 50 0 EDAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072434247 216229648 /nfs/dbraw/zinc/22/96/48/216229648.db2.gz IQMLWILQMSWRAM-OAHLLOKOSA-N 3 2 332.496 1.342 50 0 EDAALP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000072279426 201173793 /nfs/dbraw/zinc/17/37/93/201173793.db2.gz UUNYBGVMCLZBRK-UIBIWLFHSA-N 2 2 348.491 1.756 50 0 EDAALP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000072279426 201173796 /nfs/dbraw/zinc/17/37/96/201173796.db2.gz UUNYBGVMCLZBRK-UIBIWLFHSA-N 2 2 348.491 1.756 50 0 EDAALP C[C@H](c1cccc(C[N@@H+]2CCc3c([nH]n(CCO)c3=O)C2)c1)[NH+](C)C ZINC000216132058 241167338 /nfs/dbraw/zinc/16/73/38/241167338.db2.gz ZOVHEDTZFVREHZ-CQSZACIVSA-N 2 2 344.459 1.350 50 0 EDAALP C[C@H](c1cccc(C[N@H+]2CCc3c([nH]n(CCO)c3=O)C2)c1)[NH+](C)C ZINC000216132058 241167349 /nfs/dbraw/zinc/16/73/49/241167349.db2.gz ZOVHEDTZFVREHZ-CQSZACIVSA-N 2 2 344.459 1.350 50 0 EDAALP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069534555 203016650 /nfs/dbraw/zinc/01/66/50/203016650.db2.gz DGYKJZNMOAVVBS-MRXNPFEDSA-N 2 2 330.432 1.446 50 0 EDAALP CCNC(=O)COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000071792549 203112968 /nfs/dbraw/zinc/11/29/68/203112968.db2.gz HOJHNNODMLBAPU-KRWDZBQOSA-N 2 2 349.475 1.138 50 0 EDAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000071749882 203106264 /nfs/dbraw/zinc/10/62/64/203106264.db2.gz MVLJDOBWFIZYAJ-AWEZNQCLSA-N 2 2 331.464 1.365 50 0 EDAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000071749882 203106268 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1.518 50 0 EDAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C[C@@H]2C1 ZINC000106982017 204223616 /nfs/dbraw/zinc/22/36/16/204223616.db2.gz RSUZQJIVLFCFIP-IBGZPJMESA-N 2 2 331.504 1.822 50 0 EDAALP C[N@H+]1CCN2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C[C@@H]2C1 ZINC000106982017 204223621 /nfs/dbraw/zinc/22/36/21/204223621.db2.gz RSUZQJIVLFCFIP-IBGZPJMESA-N 2 2 331.504 1.822 50 0 EDAALP C[NH+]1CCN2CC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C[C@@H]2C1 ZINC000106982017 204223625 /nfs/dbraw/zinc/22/36/25/204223625.db2.gz RSUZQJIVLFCFIP-IBGZPJMESA-N 2 2 331.504 1.822 50 0 EDAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C[C@@H]2C1 ZINC000106982017 204223628 /nfs/dbraw/zinc/22/36/28/204223628.db2.gz RSUZQJIVLFCFIP-IBGZPJMESA-N 2 2 331.504 1.822 50 0 EDAALP OC[C@@H]1CCCN1c1cc(NC[C@H]2CCCn3cc[nH+]c32)[nH+]cn1 ZINC000333724404 141366831 /nfs/dbraw/zinc/36/68/31/141366831.db2.gz ONNQUTULVPYXIT-KGLIPLIRSA-N 2 2 328.420 1.624 50 0 EDAALP COc1c(C[NH2+]Cc2ccnc(-n3cc[nH+]c3C)c2)c(C)nn1C ZINC000058392536 441189158 /nfs/dbraw/zinc/18/91/58/441189158.db2.gz QIBRJPFSMWLPRR-UHFFFAOYSA-N 2 2 326.404 1.916 50 0 EDAALP COc1ccc([C@H](NC(=O)NC[C@H](C)[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000065440859 441435093 /nfs/dbraw/zinc/43/50/93/441435093.db2.gz AEBCXIDTENXHBR-BBRMVZONSA-N 2 2 345.447 1.767 50 0 EDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccc(F)c2)[nH+]cn1 ZINC000067622417 441659084 /nfs/dbraw/zinc/65/90/84/441659084.db2.gz YSLGDTWAUYRSKH-UHFFFAOYSA-N 2 2 340.362 1.952 50 0 EDAALP C[C@H]1C[NH+](CCCNC(=O)C[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000042242097 441718539 /nfs/dbraw/zinc/71/85/39/441718539.db2.gz MQFCUOQOVNYIGJ-IRXDYDNUSA-N 2 2 345.487 1.660 50 0 EDAALP C[C@H]1C[NH+](CCCNC(=O)C[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000042242097 441718542 /nfs/dbraw/zinc/71/85/42/441718542.db2.gz MQFCUOQOVNYIGJ-IRXDYDNUSA-N 2 2 345.487 1.660 50 0 EDAALP CCC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1NC(=O)C[NH+](C)C ZINC000091818145 441745291 /nfs/dbraw/zinc/74/52/91/441745291.db2.gz BWMPGBXERSWUJH-HOTGVXAUSA-N 2 2 333.480 1.685 50 0 EDAALP c1cn(-c2ccc(C[NH+]3CCN(CCn4cncn4)CC3)cc2)c[nH+]1 ZINC000077553677 441804911 /nfs/dbraw/zinc/80/49/11/441804911.db2.gz CDXMQWOQMNGWLD-UHFFFAOYSA-N 2 2 337.431 1.282 50 0 EDAALP C[C@@H](C1CCN(c2cc(N)[nH+]c(N(C)C)n2)CC1)[NH+]1CCOCC1 ZINC000095367198 441913894 /nfs/dbraw/zinc/91/38/94/441913894.db2.gz GBHRNKIYSIZIPM-ZDUSSCGKSA-N 2 2 334.468 1.062 50 0 EDAALP C[C@@H](C1CCN(c2cc(N)nc(N(C)C)[nH+]2)CC1)[NH+]1CCOCC1 ZINC000095367198 441913898 /nfs/dbraw/zinc/91/38/98/441913898.db2.gz GBHRNKIYSIZIPM-ZDUSSCGKSA-N 2 2 334.468 1.062 50 0 EDAALP Cc1cc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)on1 ZINC000095376935 441915474 /nfs/dbraw/zinc/91/54/74/441915474.db2.gz JXQZGARMECNMKQ-AWEZNQCLSA-N 2 2 341.419 1.736 50 0 EDAALP Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)on1 ZINC000095376935 441915477 /nfs/dbraw/zinc/91/54/77/441915477.db2.gz JXQZGARMECNMKQ-AWEZNQCLSA-N 2 2 341.419 1.736 50 0 EDAALP CCn1cc[nH+]c1CN1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069418453 441930517 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50 0 EDAALP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000222035052 443075121 /nfs/dbraw/zinc/07/51/21/443075121.db2.gz WRHHQTQURPMDSV-JYJNAYRXSA-N 2 2 339.386 1.157 50 0 EDAALP FCCCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000225466575 443105515 /nfs/dbraw/zinc/10/55/15/443105515.db2.gz AYLIPDZXYVKVBC-UHFFFAOYSA-N 2 2 337.443 1.575 50 0 EDAALP Cn1nnc(C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000283344913 443608078 /nfs/dbraw/zinc/60/80/78/443608078.db2.gz ZXHMGXBUDDIAHY-GFCCVEGCSA-N 2 2 333.465 1.153 50 0 EDAALP Cn1nnc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000283344913 443608080 /nfs/dbraw/zinc/60/80/80/443608080.db2.gz ZXHMGXBUDDIAHY-GFCCVEGCSA-N 2 2 333.465 1.153 50 0 EDAALP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000426734006 447496203 /nfs/dbraw/zinc/49/62/03/447496203.db2.gz LSKFZYVWYPXOCI-UHFFFAOYSA-N 2 2 342.447 1.422 50 0 EDAALP CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000584890327 448666901 /nfs/dbraw/zinc/66/69/01/448666901.db2.gz PMMURMRGVFFXNF-MRXNPFEDSA-N 2 2 330.432 1.492 50 0 EDAALP CC(C)[N@H+]1CCO[C@H](CC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000584890327 448666903 /nfs/dbraw/zinc/66/69/03/448666903.db2.gz PMMURMRGVFFXNF-MRXNPFEDSA-N 2 2 330.432 1.492 50 0 EDAALP Cc1nn2c(nc(C)cc2N2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000072432465 216226630 /nfs/dbraw/zinc/22/66/30/216226630.db2.gz LWJBEJXCILTYPX-UHFFFAOYSA-N 2 2 342.491 1.871 50 0 EDAALP Nc1[nH+]cccc1CNC(=O)c1ccc(OCCC[NH3+])c(Cl)c1 ZINC000299791351 258096919 /nfs/dbraw/zinc/09/69/19/258096919.db2.gz CMQQHLZSEMORQZ-UHFFFAOYSA-N 2 2 334.807 1.975 50 0 EDAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cc(C[NH+](C)C)cs2)C[C@@H]1CO ZINC000091691135 279037798 /nfs/dbraw/zinc/03/77/98/279037798.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 3 2 325.522 1.802 50 0 EDAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cc(C[NH+](C)C)cs2)C[C@@H]1CO ZINC000091691135 279037799 /nfs/dbraw/zinc/03/77/99/279037799.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 3 2 325.522 1.802 50 0 EDAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cc(C[NH+](C)C)cs2)C[C@@H]1CO ZINC000091691135 279037800 /nfs/dbraw/zinc/03/78/00/279037800.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 3 2 325.522 1.802 50 0 EDAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cc(C[NH+](C)C)cs2)C[C@@H]1CO ZINC000091691135 279037801 /nfs/dbraw/zinc/03/78/01/279037801.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 3 2 325.522 1.802 50 0 EDAALP CCn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2ccc(C)cc2)CC1 ZINC000011695748 441123802 /nfs/dbraw/zinc/12/38/02/441123802.db2.gz WQWZUATVKQTDHG-UHFFFAOYSA-N 2 2 341.459 1.650 50 0 EDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000082137538 441336873 /nfs/dbraw/zinc/33/68/73/441336873.db2.gz OBBCQUCKAWBSQF-UHFFFAOYSA-N 2 2 346.479 1.091 50 0 EDAALP CCn1cc[nH+]c1CN1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000075131791 441499857 /nfs/dbraw/zinc/49/98/57/441499857.db2.gz ZZGZDOIIBGVOJY-UHFFFAOYSA-N 2 2 328.464 1.682 50 0 EDAALP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C(=O)O1 ZINC000075602964 441538702 /nfs/dbraw/zinc/53/87/02/441538702.db2.gz IVPREJNRFDWUHK-OLMNPRSZSA-N 2 2 332.444 1.726 50 0 EDAALP c1ccc(-c2nc3c(c(NCC[NH+]4CCOCC4)n2)CC[NH2+]C3)cc1 ZINC000067954569 441700924 /nfs/dbraw/zinc/70/09/24/441700924.db2.gz VQBOACPAKPHWQB-UHFFFAOYSA-N 2 2 339.443 1.533 50 0 EDAALP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067689010 441668321 /nfs/dbraw/zinc/66/83/21/441668321.db2.gz HVNROKXYRIXHPW-UHFFFAOYSA-N 2 2 333.480 1.198 50 0 EDAALP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067689010 441668324 /nfs/dbraw/zinc/66/83/24/441668324.db2.gz HVNROKXYRIXHPW-UHFFFAOYSA-N 2 2 333.480 1.198 50 0 EDAALP CCCc1c[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000091726164 441733306 /nfs/dbraw/zinc/73/33/06/441733306.db2.gz XDFBHCLLUVMEBR-IAGOWNOFSA-N 2 2 348.491 1.239 50 0 EDAALP CC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]CC1 ZINC000091656493 441726781 /nfs/dbraw/zinc/72/67/81/441726781.db2.gz CZMOAGIECKYROY-UHFFFAOYSA-N 2 2 331.460 1.599 50 0 EDAALP CC(C)Oc1cc(N2CCC([NH+]3CCC(O)CC3)CC2)nc(N)[nH+]1 ZINC000095352862 441911523 /nfs/dbraw/zinc/91/15/23/441911523.db2.gz VRECSIVUQGTCRC-UHFFFAOYSA-N 2 2 335.452 1.272 50 0 EDAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095379073 441915772 /nfs/dbraw/zinc/91/57/72/441915772.db2.gz ZSBUIMNKVXGQMR-MRXNPFEDSA-N 3 2 333.480 1.150 50 0 EDAALP CCCCSc1nc(N2CC[N@H+](C)[C@H](CCO)C2)cc(N)[nH+]1 ZINC000095384329 441917384 /nfs/dbraw/zinc/91/73/84/441917384.db2.gz NHOBOVWTHDOBCA-GFCCVEGCSA-N 2 2 325.482 1.454 50 0 EDAALP CCCCSc1nc(N2CC[N@@H+](C)[C@H](CCO)C2)cc(N)[nH+]1 ZINC000095384329 441917390 /nfs/dbraw/zinc/91/73/90/441917390.db2.gz NHOBOVWTHDOBCA-GFCCVEGCSA-N 2 2 325.482 1.454 50 0 EDAALP C[C@@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000096414936 442119404 /nfs/dbraw/zinc/11/94/04/442119404.db2.gz XOMJIRFCRRGFOH-NVXWUHKLSA-N 2 2 339.505 1.521 50 0 EDAALP C[C@@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000096414936 442119406 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EDAALP C[C@@H]1C[N@H+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)O1 ZINC000097159023 442177110 /nfs/dbraw/zinc/17/71/10/442177110.db2.gz IPKWBFMMJHGVKF-BETUJISGSA-N 2 2 330.436 1.441 50 0 EDAALP C[C@@H]1C[N@@H+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)O1 ZINC000097159023 442177113 /nfs/dbraw/zinc/17/71/13/442177113.db2.gz IPKWBFMMJHGVKF-BETUJISGSA-N 2 2 330.436 1.441 50 0 EDAALP Cc1[nH]c2ccc(CC(=O)NCc3cc4n(n3)CCC[NH2+]C4)cc2[nH+]1 ZINC000097294585 442190653 /nfs/dbraw/zinc/19/06/53/442190653.db2.gz ZREQPCWIDLPPJL-UHFFFAOYSA-N 2 2 338.415 1.420 50 0 EDAALP Cc1[nH]c2cc(CC(=O)NCc3cc4n(n3)CCC[NH2+]C4)ccc2[nH+]1 ZINC000097294585 442190656 /nfs/dbraw/zinc/19/06/56/442190656.db2.gz ZREQPCWIDLPPJL-UHFFFAOYSA-N 2 2 338.415 1.420 50 0 EDAALP Cc1cc2[nH+]cn(CC(=O)NCC(C)(C)[NH+]3CCOCC3)c2cc1C ZINC000192840020 442691694 /nfs/dbraw/zinc/69/16/94/442691694.db2.gz NKBZMESWOIJDAE-UHFFFAOYSA-N 2 2 344.459 1.880 50 0 EDAALP C[N@H+](CC(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1)Cc1cccnc1 ZINC000221199763 443070424 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3 2 333.476 1.711 50 0 EDAALP [NH3+][C@H]1COC[C@H]1Oc1cnn(Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000685941851 539581979 /nfs/dbraw/zinc/58/19/79/539581979.db2.gz CMKBGYMTOSQFDI-UONOGXRCSA-N 2 2 333.779 1.337 50 0 EDAALP CCSc1ncc(C[NH+]2CCC(n3cc(C[NH3+])nn3)CC2)cn1 ZINC000023191658 202100736 /nfs/dbraw/zinc/10/07/36/202100736.db2.gz ZFHRZEQKLJBHBJ-UHFFFAOYSA-N 2 2 333.465 1.476 50 0 EDAALP Cn1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000023338969 202101345 /nfs/dbraw/zinc/10/13/45/202101345.db2.gz MVAPLNVJSJXAKM-INIZCTEOSA-N 2 2 345.491 1.375 50 0 EDAALP Cn1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000023338969 202101349 /nfs/dbraw/zinc/10/13/49/202101349.db2.gz MVAPLNVJSJXAKM-INIZCTEOSA-N 2 2 345.491 1.375 50 0 EDAALP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000025409564 202131287 /nfs/dbraw/zinc/13/12/87/202131287.db2.gz MQFCUOQOVNYIGJ-IAGOWNOFSA-N 2 2 345.487 1.660 50 0 EDAALP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000025409564 202131290 /nfs/dbraw/zinc/13/12/90/202131290.db2.gz MQFCUOQOVNYIGJ-IAGOWNOFSA-N 2 2 345.487 1.660 50 0 EDAALP CN(Cc1[nH+]ccn1C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073352833 202370002 /nfs/dbraw/zinc/37/00/02/202370002.db2.gz LDKYJLOAMPZOOT-UHFFFAOYSA-N 2 2 341.459 1.591 50 0 EDAALP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1CCOC[C@@H]1C ZINC000229856834 201043588 /nfs/dbraw/zinc/04/35/88/201043588.db2.gz OOJSZCNCMDSDBU-QKPAOTATSA-N 2 2 326.485 1.268 50 0 EDAALP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+]1CCOC[C@@H]1C ZINC000229856834 201043590 /nfs/dbraw/zinc/04/35/90/201043590.db2.gz OOJSZCNCMDSDBU-QKPAOTATSA-N 2 2 326.485 1.268 50 0 EDAALP C[C@@]1(CO)CCC[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000215125962 241109518 /nfs/dbraw/zinc/10/95/18/241109518.db2.gz OECXHUBURXNMSG-HXUWFJFHSA-N 2 2 348.487 1.992 50 0 EDAALP C[C@@]1(CO)CCC[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000215125962 241109527 /nfs/dbraw/zinc/10/95/27/241109527.db2.gz OECXHUBURXNMSG-HXUWFJFHSA-N 2 2 348.487 1.992 50 0 EDAALP C[C@@H](c1cccc(C[N@@H+]2CCc3c([nH]n(CCO)c3=O)C2)c1)[NH+](C)C ZINC000216132025 241168759 /nfs/dbraw/zinc/16/87/59/241168759.db2.gz ZOVHEDTZFVREHZ-AWEZNQCLSA-N 2 2 344.459 1.350 50 0 EDAALP C[C@@H](c1cccc(C[N@H+]2CCc3c([nH]n(CCO)c3=O)C2)c1)[NH+](C)C ZINC000216132025 241168768 /nfs/dbraw/zinc/16/87/68/241168768.db2.gz ZOVHEDTZFVREHZ-AWEZNQCLSA-N 2 2 344.459 1.350 50 0 EDAALP OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000215539667 241130327 /nfs/dbraw/zinc/13/03/27/241130327.db2.gz MOYRXXVXZKMJJE-SFHVURJKSA-N 2 2 334.460 1.744 50 0 EDAALP OC[C@@H]1CCCC[N@H+]1Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000215539667 241130331 /nfs/dbraw/zinc/13/03/31/241130331.db2.gz MOYRXXVXZKMJJE-SFHVURJKSA-N 2 2 334.460 1.744 50 0 EDAALP C[C@@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1ccccc1N(C)C ZINC000093944962 296114727 /nfs/dbraw/zinc/11/47/27/296114727.db2.gz FWSVIUPPANUIAL-OAHLLOKOSA-N 2 2 332.492 1.956 50 0 EDAALP Cn1ncc(Cl)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000241776882 243000146 /nfs/dbraw/zinc/00/01/46/243000146.db2.gz RTILORWZRPKNOK-UHFFFAOYSA-N 2 2 339.915 1.923 50 0 EDAALP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069534551 203016081 /nfs/dbraw/zinc/01/60/81/203016081.db2.gz DGYKJZNMOAVVBS-INIZCTEOSA-N 2 2 330.432 1.446 50 0 EDAALP Cc1cccn2cc(CC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)[nH+]c12 ZINC000069698135 203036807 /nfs/dbraw/zinc/03/68/07/203036807.db2.gz NVVBQYXPPVTQAU-QGZVFWFLSA-N 2 2 344.459 1.754 50 0 EDAALP C[NH+]1CCN(c2ccc(F)cc2NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000071857141 203130065 /nfs/dbraw/zinc/13/00/65/203130065.db2.gz TYCWWWNOAAGXHB-UHFFFAOYSA-N 2 2 346.410 1.596 50 0 EDAALP C[NH+](C)C[C@]1(O)CC[N@H+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1 ZINC000072120920 203163559 /nfs/dbraw/zinc/16/35/59/203163559.db2.gz VWGWSIPGYKLBBQ-QGZVFWFLSA-N 2 2 335.835 1.680 50 0 EDAALP C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1 ZINC000072120920 203163561 /nfs/dbraw/zinc/16/35/61/203163561.db2.gz VWGWSIPGYKLBBQ-QGZVFWFLSA-N 2 2 335.835 1.680 50 0 EDAALP CCC(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)nc(C)[nH+]2)CC1 ZINC000072442119 203225156 /nfs/dbraw/zinc/22/51/56/203225156.db2.gz IVODOBITDBWEDT-UHFFFAOYSA-N 2 2 328.420 1.646 50 0 EDAALP CCSC[C@H]([NH3+])C(=O)N1CCCn2nc(C[NH+]3CC=CC3)cc2C1 ZINC000102296844 204035722 /nfs/dbraw/zinc/03/57/22/204035722.db2.gz DWCKYMPWCAXAFU-INIZCTEOSA-N 2 2 349.504 1.068 50 0 EDAALP C[N@H+](CC(=O)NCc1noc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000299798270 258102268 /nfs/dbraw/zinc/10/22/68/258102268.db2.gz RSDZICUMUZFJDD-UHFFFAOYSA-N 2 2 329.404 1.037 50 0 EDAALP C[N@@H+](CC(=O)NCc1noc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000299798270 258102269 /nfs/dbraw/zinc/10/22/69/258102269.db2.gz RSDZICUMUZFJDD-UHFFFAOYSA-N 2 2 329.404 1.037 50 0 EDAALP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000332867281 141241905 /nfs/dbraw/zinc/24/19/05/141241905.db2.gz VZONUFLJLCUVIS-GJZGRUSLSA-N 2 2 335.452 1.267 50 0 EDAALP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000044954841 440925756 /nfs/dbraw/zinc/92/57/56/440925756.db2.gz NPHCHTPGTPQUQQ-HIFRSBDPSA-N 2 2 340.493 1.371 50 0 EDAALP C[N@@H+](Cc1ccc(F)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000008113722 441083165 /nfs/dbraw/zinc/08/31/65/441083165.db2.gz MBNWCPOJCHPYSB-UHFFFAOYSA-N 2 2 334.395 1.231 50 0 EDAALP C[N@H+](Cc1ccc(F)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000008113722 441083168 /nfs/dbraw/zinc/08/31/68/441083168.db2.gz MBNWCPOJCHPYSB-UHFFFAOYSA-N 2 2 334.395 1.231 50 0 EDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583639 441136777 /nfs/dbraw/zinc/13/67/77/441136777.db2.gz ZLWPGZQQAYONAZ-QGZVFWFLSA-N 3 2 336.524 1.537 50 0 EDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583639 441136780 /nfs/dbraw/zinc/13/67/80/441136780.db2.gz ZLWPGZQQAYONAZ-QGZVFWFLSA-N 3 2 336.524 1.537 50 0 EDAALP Cc1[nH+]c(N2CCCC2)nc(NCCCN2CC[NH+](C)CC2)c1C ZINC000065425059 441430756 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CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000091254297 441688608 /nfs/dbraw/zinc/68/86/08/441688608.db2.gz XQVWOWXKYFGNJP-INIZCTEOSA-N 2 2 333.480 1.185 50 0 EDAALP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000091254297 441688611 /nfs/dbraw/zinc/68/86/11/441688611.db2.gz XQVWOWXKYFGNJP-INIZCTEOSA-N 2 2 333.480 1.185 50 0 EDAALP COCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000091616346 441717999 /nfs/dbraw/zinc/71/79/99/441717999.db2.gz JKXULJASVPTJCX-INIZCTEOSA-N 2 2 334.464 1.577 50 0 EDAALP COCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000091616346 441718005 /nfs/dbraw/zinc/71/80/05/441718005.db2.gz JKXULJASVPTJCX-INIZCTEOSA-N 2 2 334.464 1.577 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NC[C@@H](C[NH+](C)C)[C@@H](O)c1ccccc1 ZINC000042099612 441703703 /nfs/dbraw/zinc/70/37/03/441703703.db2.gz JDYDZIQURNPSND-HOCLYGCPSA-N 2 2 340.431 1.687 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3cccc(O)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091604676 441718964 /nfs/dbraw/zinc/71/89/64/441718964.db2.gz IOZYKEVZJRBXBV-CYGHRXIMSA-N 2 2 334.460 1.542 50 0 EDAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3cccc(O)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091604676 441718968 /nfs/dbraw/zinc/71/89/68/441718968.db2.gz IOZYKEVZJRBXBV-CYGHRXIMSA-N 2 2 334.460 1.542 50 0 EDAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091604676 441718974 /nfs/dbraw/zinc/71/89/74/441718974.db2.gz IOZYKEVZJRBXBV-CYGHRXIMSA-N 2 2 334.460 1.542 50 0 EDAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091604676 441718978 /nfs/dbraw/zinc/71/89/78/441718978.db2.gz IOZYKEVZJRBXBV-CYGHRXIMSA-N 2 2 334.460 1.542 50 0 EDAALP CCCCSc1nc(N)cc(N2CCC[C@@](O)(C[NH+](C)C)C2)[nH+]1 ZINC000095381164 441916795 /nfs/dbraw/zinc/91/67/95/441916795.db2.gz OZVWUXLEIPDUNL-MRXNPFEDSA-N 2 2 339.509 1.844 50 0 EDAALP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000095962525 441962310 /nfs/dbraw/zinc/96/23/10/441962310.db2.gz CAUNMEWVEDNHKZ-KBAYOESNSA-N 2 2 337.508 1.961 50 0 EDAALP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000095962525 441962313 /nfs/dbraw/zinc/96/23/13/441962313.db2.gz CAUNMEWVEDNHKZ-KBAYOESNSA-N 2 2 337.508 1.961 50 0 EDAALP O=C(NCCNc1cccc[nH+]1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000096419968 442122182 /nfs/dbraw/zinc/12/21/82/442122182.db2.gz OQQKLOUINGFTCM-UHFFFAOYSA-N 2 2 340.427 1.756 50 0 EDAALP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccncc3F)CC2)CC1 ZINC000097103420 442168750 /nfs/dbraw/zinc/16/87/50/442168750.db2.gz UTCXJSRQBMRUTQ-UHFFFAOYSA-N 2 2 335.427 1.901 50 0 EDAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCc1[nH+]ccn1C ZINC000097142901 442174950 /nfs/dbraw/zinc/17/49/50/442174950.db2.gz GRTBKZVKYCWXET-WBVHZDCISA-N 2 2 341.459 1.782 50 0 EDAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCc1[nH+]ccn1C ZINC000097142901 442174954 /nfs/dbraw/zinc/17/49/54/442174954.db2.gz GRTBKZVKYCWXET-WBVHZDCISA-N 2 2 341.459 1.782 50 0 EDAALP C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)S1 ZINC000170595075 442233219 /nfs/dbraw/zinc/23/32/19/442233219.db2.gz MJLYCMBAEQUIKB-GFCCVEGCSA-N 2 2 333.461 1.397 50 0 EDAALP CCc1nn(C)cc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000180089998 442540291 /nfs/dbraw/zinc/54/02/91/442540291.db2.gz LWVIGYULYZVRIP-GOSISDBHSA-N 2 2 349.523 1.209 50 0 EDAALP CCc1nn(C)cc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000180089998 442540296 /nfs/dbraw/zinc/54/02/96/442540296.db2.gz LWVIGYULYZVRIP-GOSISDBHSA-N 2 2 349.523 1.209 50 0 EDAALP O=C1[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCN1CC(F)(F)F ZINC000252537726 443042253 /nfs/dbraw/zinc/04/22/53/443042253.db2.gz MDKPJLIEHVBBIT-RFQIPJPRSA-N 2 2 331.382 1.566 50 0 EDAALP O=C1[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCN1CC(F)(F)F ZINC000252537726 443042256 /nfs/dbraw/zinc/04/22/56/443042256.db2.gz MDKPJLIEHVBBIT-RFQIPJPRSA-N 2 2 331.382 1.566 50 0 EDAALP O=C1[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CCN1CC(F)(F)F ZINC000252537726 443042259 /nfs/dbraw/zinc/04/22/59/443042259.db2.gz MDKPJLIEHVBBIT-RFQIPJPRSA-N 2 2 331.382 1.566 50 0 EDAALP O=C1[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CCN1CC(F)(F)F ZINC000252537726 443042262 /nfs/dbraw/zinc/04/22/62/443042262.db2.gz MDKPJLIEHVBBIT-RFQIPJPRSA-N 2 2 331.382 1.566 50 0 EDAALP CC(C)(CN1CC[NH+](C2Cc3ccccc3C2)CC1)[NH+]1CCOCC1 ZINC000215273382 443055807 /nfs/dbraw/zinc/05/58/07/443055807.db2.gz BOBNEVJWLQRIQF-UHFFFAOYSA-N 2 2 343.515 1.882 50 0 EDAALP Cn1cc[nH+]c1[C@H](NC(=O)CCC[NH+]1CCOCC1)c1ccccc1 ZINC000221251189 443070191 /nfs/dbraw/zinc/07/01/91/443070191.db2.gz YVPRUAUIWUSFHI-GOSISDBHSA-N 2 2 342.443 1.738 50 0 EDAALP CC1(C)CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000236750726 443146826 /nfs/dbraw/zinc/14/68/26/443146826.db2.gz WBKARLHBBYHNTG-KRWDZBQOSA-N 2 2 342.443 1.439 50 0 EDAALP Cc1nc(NCCCCC[NH+]2CCOCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426668303 447488565 /nfs/dbraw/zinc/48/85/65/447488565.db2.gz KOHBBLYYRWGUBL-INIZCTEOSA-N 2 2 334.464 2.203 50 0 EDAALP Cn1c[nH+]cc1-c1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000426705520 447493441 /nfs/dbraw/zinc/49/34/41/447493441.db2.gz APOVPHFOMNVLER-UHFFFAOYSA-N 2 2 328.416 1.539 50 0 EDAALP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1[nH+]ccn1C ZINC000585113907 448693361 /nfs/dbraw/zinc/69/33/61/448693361.db2.gz WJQOKNUFUGMBKJ-HOCLYGCPSA-N 2 2 327.432 1.905 50 0 EDAALP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1[nH+]ccn1C ZINC000585113907 448693365 /nfs/dbraw/zinc/69/33/65/448693365.db2.gz WJQOKNUFUGMBKJ-HOCLYGCPSA-N 2 2 327.432 1.905 50 0 EDAALP CC1(C)C[NH+]=C(N2CC[NH+](CCCCCn3cncn3)CC2)S1 ZINC000081016451 486208602 /nfs/dbraw/zinc/20/86/02/486208602.db2.gz IKSGUBXRCGZFCR-UHFFFAOYSA-N 2 2 336.509 1.947 50 0 EDAALP NC(=O)CCn1cc(C[NH2+]CC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000055120091 214275686 /nfs/dbraw/zinc/27/56/86/214275686.db2.gz LUZMTJCKBMPVNT-UHFFFAOYSA-N 2 2 344.459 1.063 50 0 EDAALP Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CCc3c[nH+]c[nH]3)C2=O)c1 ZINC000067854867 215232013 /nfs/dbraw/zinc/23/20/13/215232013.db2.gz ZFUZXVUJGKRYFG-LJQANCHMSA-N 2 2 342.443 1.404 50 0 EDAALP Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CCc3c[nH]c[nH+]3)C2=O)c1 ZINC000067854867 215232014 /nfs/dbraw/zinc/23/20/14/215232014.db2.gz ZFUZXVUJGKRYFG-LJQANCHMSA-N 2 2 342.443 1.404 50 0 EDAALP CCc1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)c(C)[nH+]1 ZINC000072423428 216212871 /nfs/dbraw/zinc/21/28/71/216212871.db2.gz FODKAVGQLANQSE-GOEBONIOSA-N 3 2 333.480 1.442 50 0 EDAALP CCc1[nH]c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)c(C)[nH+]1 ZINC000072423428 216212873 /nfs/dbraw/zinc/21/28/73/216212873.db2.gz FODKAVGQLANQSE-GOEBONIOSA-N 3 2 333.480 1.442 50 0 EDAALP Nc1nc(NCc2ccccc2Cn2cccn2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072429707 216221735 /nfs/dbraw/zinc/22/17/35/216221735.db2.gz VFCSLHWJMHZAHL-UHFFFAOYSA-N 2 2 349.442 1.604 50 0 EDAALP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1)CC[NH+](C)CC2 ZINC000072469675 216249129 /nfs/dbraw/zinc/24/91/29/216249129.db2.gz RBMRQPKGWLPCPZ-OAHLLOKOSA-N 3 2 333.480 1.564 50 0 EDAALP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1)CC[NH+](C)CC2 ZINC000072469675 216249130 /nfs/dbraw/zinc/24/91/30/216249130.db2.gz RBMRQPKGWLPCPZ-OAHLLOKOSA-N 3 2 333.480 1.564 50 0 EDAALP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000079101793 217194566 /nfs/dbraw/zinc/19/45/66/217194566.db2.gz RVQJHFVZIKZZBN-MRXNPFEDSA-N 2 2 348.491 1.747 50 0 EDAALP Cc1cc(C)n(CC(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000012431720 211378230 /nfs/dbraw/zinc/37/82/30/211378230.db2.gz UCUYSPUCSZGUDB-MRXNPFEDSA-N 2 2 333.480 1.175 50 0 EDAALP Cc1cc(C)n(CC(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000012431720 211378236 /nfs/dbraw/zinc/37/82/36/211378236.db2.gz UCUYSPUCSZGUDB-MRXNPFEDSA-N 2 2 333.480 1.175 50 0 EDAALP CCCn1ncc(C(=O)N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000091663889 218042991 /nfs/dbraw/zinc/04/29/91/218042991.db2.gz BQBHUFMSBCUYEV-QGZVFWFLSA-N 2 2 347.507 1.701 50 0 EDAALP CCCn1ncc(C(=O)N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000091663889 218042993 /nfs/dbraw/zinc/04/29/93/218042993.db2.gz BQBHUFMSBCUYEV-QGZVFWFLSA-N 2 2 347.507 1.701 50 0 EDAALP O=C([C@@H]1CCC[NH2+]1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091745775 218057325 /nfs/dbraw/zinc/05/73/25/218057325.db2.gz KBPKIZPNTYRELF-KRWDZBQOSA-N 2 2 339.443 1.784 50 0 EDAALP Cc1ccc([C@H](C(=O)N2CC[NH+](CCCCO)CC2)[NH+](C)C)cc1 ZINC000095376071 218309329 /nfs/dbraw/zinc/30/93/29/218309329.db2.gz SJPKZZJORCMUBS-GOSISDBHSA-N 2 2 333.476 1.514 50 0 EDAALP Cc1cnccc1C[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091736643 302385908 /nfs/dbraw/zinc/38/59/08/302385908.db2.gz YEZUGJCSDMUJIL-MOPGFXCFSA-N 2 2 333.476 1.685 50 0 EDAALP Cc1cnccc1C[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091736643 302385911 /nfs/dbraw/zinc/38/59/11/302385911.db2.gz YEZUGJCSDMUJIL-MOPGFXCFSA-N 2 2 333.476 1.685 50 0 EDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc(C)ccc2O)nc[nH+]1 ZINC000071877200 441180853 /nfs/dbraw/zinc/18/08/53/441180853.db2.gz XJYDSBDPXHEGFE-ZDUSSCGKSA-N 2 2 328.420 1.686 50 0 EDAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2ccc(OC)nc2)c(C)[nH+]1 ZINC000071751535 441150910 /nfs/dbraw/zinc/15/09/10/441150910.db2.gz IGRAIRIUNLXJBP-KBPBESRZSA-N 2 2 343.431 1.968 50 0 EDAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)Nc2ccc(OC)nc2)c(C)[nH+]1 ZINC000071751535 441150911 /nfs/dbraw/zinc/15/09/11/441150911.db2.gz IGRAIRIUNLXJBP-KBPBESRZSA-N 2 2 343.431 1.968 50 0 EDAALP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014967113 441191805 /nfs/dbraw/zinc/19/18/05/441191805.db2.gz ZBGGVWLLDUVGKU-MRXNPFEDSA-N 2 2 339.505 1.723 50 0 EDAALP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014967113 441191812 /nfs/dbraw/zinc/19/18/12/441191812.db2.gz ZBGGVWLLDUVGKU-MRXNPFEDSA-N 2 2 339.505 1.723 50 0 EDAALP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000107151125 441401701 /nfs/dbraw/zinc/40/17/01/441401701.db2.gz SALHGICXSKPOJF-ZDUSSCGKSA-N 2 2 346.435 1.896 50 0 EDAALP CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000107151125 441401703 /nfs/dbraw/zinc/40/17/03/441401703.db2.gz SALHGICXSKPOJF-ZDUSSCGKSA-N 2 2 346.435 1.896 50 0 EDAALP CSCCC[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C)CC1 ZINC000091327152 441695423 /nfs/dbraw/zinc/69/54/23/441695423.db2.gz LIUUTUDFUBNINZ-UHFFFAOYSA-N 2 2 334.493 1.992 50 0 EDAALP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000095955989 441959717 /nfs/dbraw/zinc/95/97/17/441959717.db2.gz WLPJJUBZOUPRHI-UHFFFAOYSA-N 2 2 338.433 1.564 50 0 EDAALP CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c[nH+]1 ZINC000069517542 441960303 /nfs/dbraw/zinc/96/03/03/441960303.db2.gz BCEXXZFUQGQJDN-QGZVFWFLSA-N 2 2 326.444 1.937 50 0 EDAALP O=S(=O)([C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1)N1CCCC1 ZINC000161640417 442018766 /nfs/dbraw/zinc/01/87/66/442018766.db2.gz XLEMSBQWHSSDIX-MRXNPFEDSA-N 2 2 329.510 1.362 50 0 EDAALP O=S(=O)([C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1)N1CCCC1 ZINC000161640417 442018774 /nfs/dbraw/zinc/01/87/74/442018774.db2.gz XLEMSBQWHSSDIX-MRXNPFEDSA-N 2 2 329.510 1.362 50 0 EDAALP O=C1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CN1CC[NH+]1CCOCC1 ZINC000172697930 442522699 /nfs/dbraw/zinc/52/26/99/442522699.db2.gz RFXBTFMFVIEXTM-MRXNPFEDSA-N 2 2 342.443 1.191 50 0 EDAALP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOc1ccccc1 ZINC000248044183 442879444 /nfs/dbraw/zinc/87/94/44/442879444.db2.gz PDWFORXAMTUHKR-PKOBYXMFSA-N 2 2 333.476 1.402 50 0 EDAALP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOc1ccccc1 ZINC000248044183 442879446 /nfs/dbraw/zinc/87/94/46/442879446.db2.gz PDWFORXAMTUHKR-PKOBYXMFSA-N 2 2 333.476 1.402 50 0 EDAALP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOc1ccccc1 ZINC000248044183 442879449 /nfs/dbraw/zinc/87/94/49/442879449.db2.gz PDWFORXAMTUHKR-PKOBYXMFSA-N 2 2 333.476 1.402 50 0 EDAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000248906148 442937768 /nfs/dbraw/zinc/93/77/68/442937768.db2.gz UVPVOKKYKKTDAE-KBAYOESNSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000248906148 442937773 /nfs/dbraw/zinc/93/77/73/442937773.db2.gz UVPVOKKYKKTDAE-KBAYOESNSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000248906148 442937776 /nfs/dbraw/zinc/93/77/76/442937776.db2.gz UVPVOKKYKKTDAE-KBAYOESNSA-N 2 2 346.475 1.137 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000248906148 442937781 /nfs/dbraw/zinc/93/77/81/442937781.db2.gz UVPVOKKYKKTDAE-KBAYOESNSA-N 2 2 346.475 1.137 50 0 EDAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000252508685 443037779 /nfs/dbraw/zinc/03/77/79/443037779.db2.gz XQVDYMXHVFBPNS-OAHLLOKOSA-N 2 2 342.443 1.908 50 0 EDAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000223184350 443086314 /nfs/dbraw/zinc/08/63/14/443086314.db2.gz XBSMCGZDTVLFFZ-IBGZPJMESA-N 2 2 339.443 1.975 50 0 EDAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000223184350 443086317 /nfs/dbraw/zinc/08/63/17/443086317.db2.gz XBSMCGZDTVLFFZ-IBGZPJMESA-N 2 2 339.443 1.975 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000222132979 443074587 /nfs/dbraw/zinc/07/45/87/443074587.db2.gz PTTHXCFVDTVUIC-DZGCQCFKSA-N 2 2 335.452 1.110 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000222132979 443074593 /nfs/dbraw/zinc/07/45/93/443074593.db2.gz PTTHXCFVDTVUIC-DZGCQCFKSA-N 2 2 335.452 1.110 50 0 EDAALP c1cnc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCCCO4)CC3)CC2)nc1 ZINC000245130886 443218473 /nfs/dbraw/zinc/21/84/73/443218473.db2.gz VCSDTUCRPVAQQH-SFHVURJKSA-N 2 2 345.491 1.632 50 0 EDAALP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)[C@H]3CCN(C)C3=O)cc2)C[C@H](C)O1 ZINC000583651288 448456457 /nfs/dbraw/zinc/45/64/57/448456457.db2.gz KFSRIIBXPAQBIM-FCEWJHQRSA-N 2 2 345.487 1.958 50 0 EDAALP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)[C@H]3CCN(C)C3=O)cc2)C[C@H](C)O1 ZINC000583651288 448456460 /nfs/dbraw/zinc/45/64/60/448456460.db2.gz KFSRIIBXPAQBIM-FCEWJHQRSA-N 2 2 345.487 1.958 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)[C@H]3CCN(C)C3=O)cc2)C[C@H](C)O1 ZINC000583651288 448456465 /nfs/dbraw/zinc/45/64/65/448456465.db2.gz KFSRIIBXPAQBIM-FCEWJHQRSA-N 2 2 345.487 1.958 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)[C@H]3CCN(C)C3=O)cc2)C[C@H](C)O1 ZINC000583651288 448456469 /nfs/dbraw/zinc/45/64/69/448456469.db2.gz KFSRIIBXPAQBIM-FCEWJHQRSA-N 2 2 345.487 1.958 50 0 EDAALP C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000583651852 448458316 /nfs/dbraw/zinc/45/83/16/448458316.db2.gz UGUYWYWETADBCY-CRAIPNDOSA-N 2 2 331.460 1.779 50 0 EDAALP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC000585116070 448697678 /nfs/dbraw/zinc/69/76/78/448697678.db2.gz GBLKOSIQKFMQCL-QAPCUYQASA-N 2 2 325.497 1.412 50 0 EDAALP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC000585116070 448697687 /nfs/dbraw/zinc/69/76/87/448697687.db2.gz GBLKOSIQKFMQCL-QAPCUYQASA-N 2 2 325.497 1.412 50 0 EDAALP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939926 539576929 /nfs/dbraw/zinc/57/69/29/539576929.db2.gz DZSYONLKKQDEML-GOEBONIOSA-N 2 2 332.448 1.187 50 0 EDAALP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939926 539576933 /nfs/dbraw/zinc/57/69/33/539576933.db2.gz DZSYONLKKQDEML-GOEBONIOSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939926 539576935 /nfs/dbraw/zinc/57/69/35/539576935.db2.gz DZSYONLKKQDEML-GOEBONIOSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 ZINC000685939926 539576939 /nfs/dbraw/zinc/57/69/39/539576939.db2.gz DZSYONLKKQDEML-GOEBONIOSA-N 2 2 332.448 1.187 50 0 EDAALP C[NH+]1CCC([N@@H+]2CCO[C@H](CCNC(=O)c3ccccc3O)C2)CC1 ZINC000067935078 215253488 /nfs/dbraw/zinc/25/34/88/215253488.db2.gz KHOGEXBWCKVPPG-MRXNPFEDSA-N 2 2 347.459 1.307 50 0 EDAALP C[NH+]1CCC([N@H+]2CCO[C@H](CCNC(=O)c3ccccc3O)C2)CC1 ZINC000067935078 215253493 /nfs/dbraw/zinc/25/34/93/215253493.db2.gz KHOGEXBWCKVPPG-MRXNPFEDSA-N 2 2 347.459 1.307 50 0 EDAALP CNC(=O)NC(=O)C[NH+]1CCC(Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000038535814 213213847 /nfs/dbraw/zinc/21/38/47/213213847.db2.gz XPDJRLDTFRNYOO-UHFFFAOYSA-N 2 2 343.431 1.512 50 0 EDAALP CCc1[nH+]c(C)ccc1OCC(=O)N1C[C@H](CO)C[C@H](C[NH+](C)C)C1 ZINC000091425126 218004272 /nfs/dbraw/zinc/00/42/72/218004272.db2.gz OFBZKRBRNKGUKG-HZPDHXFCSA-N 2 2 349.475 1.350 50 0 EDAALP O=C(c1ccc2[nH+]ccn2c1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000092096943 218118583 /nfs/dbraw/zinc/11/85/83/218118583.db2.gz AFNPENOXZGDDLT-QGZVFWFLSA-N 2 2 339.443 1.186 50 0 EDAALP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(F)c1F ZINC000092062263 218112334 /nfs/dbraw/zinc/11/23/34/218112334.db2.gz NTKDYSFMIRYUIF-HUUCEWRRSA-N 2 2 328.403 1.238 50 0 EDAALP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c(F)c1F ZINC000092062263 218112336 /nfs/dbraw/zinc/11/23/36/218112336.db2.gz NTKDYSFMIRYUIF-HUUCEWRRSA-N 2 2 328.403 1.238 50 0 EDAALP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)c(F)c1F ZINC000092062263 218112338 /nfs/dbraw/zinc/11/23/38/218112338.db2.gz NTKDYSFMIRYUIF-HUUCEWRRSA-N 2 2 328.403 1.238 50 0 EDAALP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)c(F)c1F ZINC000092062263 218112341 /nfs/dbraw/zinc/11/23/41/218112341.db2.gz NTKDYSFMIRYUIF-HUUCEWRRSA-N 2 2 328.403 1.238 50 0 EDAALP C[C@@H](CNC(=O)[C@](C)(c1ccccc1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000065517076 277586660 /nfs/dbraw/zinc/58/66/60/277586660.db2.gz HOSOLYLLDONJRU-PXNSSMCTSA-N 2 2 345.487 1.835 50 0 EDAALP [NH3+]C1(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000071776525 441154517 /nfs/dbraw/zinc/15/45/17/441154517.db2.gz MFBVJFXOCSHFMF-IAOVAPTHSA-N 2 2 347.409 1.845 50 0 EDAALP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)CCN1Cc1[nH+]ccn1C ZINC000106666194 441363353 /nfs/dbraw/zinc/36/33/53/441363353.db2.gz NBZLGOWMVAGNSP-HZPDHXFCSA-N 2 2 348.447 1.097 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)CCN1Cc1[nH+]ccn1C ZINC000106666194 441363356 /nfs/dbraw/zinc/36/33/56/441363356.db2.gz NBZLGOWMVAGNSP-HZPDHXFCSA-N 2 2 348.447 1.097 50 0 EDAALP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000065439502 441434173 /nfs/dbraw/zinc/43/41/73/441434173.db2.gz UPFRPLNJQGUNGO-INIZCTEOSA-N 2 2 345.422 1.996 50 0 EDAALP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000065439502 441434178 /nfs/dbraw/zinc/43/41/78/441434178.db2.gz UPFRPLNJQGUNGO-INIZCTEOSA-N 2 2 345.422 1.996 50 0 EDAALP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000075128140 441499119 /nfs/dbraw/zinc/49/91/19/441499119.db2.gz JGKFJNSXQOSOKS-OAHLLOKOSA-N 2 2 331.464 1.644 50 0 EDAALP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000075128140 441499123 /nfs/dbraw/zinc/49/91/23/441499123.db2.gz JGKFJNSXQOSOKS-OAHLLOKOSA-N 2 2 331.464 1.644 50 0 EDAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000077391153 441771086 /nfs/dbraw/zinc/77/10/86/441771086.db2.gz YNJRPNBVUZMDSB-UHFFFAOYSA-N 3 2 346.523 1.732 50 0 EDAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000095504656 441940179 /nfs/dbraw/zinc/94/01/79/441940179.db2.gz DKPKOFAKRUKUJT-UHFFFAOYSA-N 2 2 346.479 1.321 50 0 EDAALP Nc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000095508201 441942712 /nfs/dbraw/zinc/94/27/12/441942712.db2.gz RKRWODWCDMSXSZ-UHFFFAOYSA-N 2 2 326.448 1.786 50 0 EDAALP Nc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000095508201 441942715 /nfs/dbraw/zinc/94/27/15/441942715.db2.gz RKRWODWCDMSXSZ-UHFFFAOYSA-N 2 2 326.448 1.786 50 0 EDAALP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000069697369 442012505 /nfs/dbraw/zinc/01/25/05/442012505.db2.gz HBOFGRKUYUQYPP-PKOBYXMFSA-N 2 2 343.475 1.044 50 0 EDAALP O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069746061 442032082 /nfs/dbraw/zinc/03/20/82/442032082.db2.gz WDRUFOYPGAAWGM-OAHLLOKOSA-N 2 2 328.416 1.519 50 0 EDAALP C[C@@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000096414938 442119550 /nfs/dbraw/zinc/11/95/50/442119550.db2.gz XOMJIRFCRRGFOH-WBVHZDCISA-N 2 2 339.505 1.521 50 0 EDAALP C[C@@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000096414938 442119553 /nfs/dbraw/zinc/11/95/53/442119553.db2.gz XOMJIRFCRRGFOH-WBVHZDCISA-N 2 2 339.505 1.521 50 0 EDAALP C[C@@H]1C[C@@H]([N@H+](C)CCNS(C)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000096414938 442119556 /nfs/dbraw/zinc/11/95/56/442119556.db2.gz XOMJIRFCRRGFOH-WBVHZDCISA-N 2 2 339.505 1.521 50 0 EDAALP C[C@@H]1C[C@@H]([N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000096414938 442119557 /nfs/dbraw/zinc/11/95/57/442119557.db2.gz XOMJIRFCRRGFOH-WBVHZDCISA-N 2 2 339.505 1.521 50 0 EDAALP C[N@@H+]1CCN(C(=O)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000162521203 442100853 /nfs/dbraw/zinc/10/08/53/442100853.db2.gz QJDNJYBXADFMHO-GFCCVEGCSA-N 2 2 326.238 1.093 50 0 EDAALP C[N@H+]1CCN(C(=O)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000162521203 442100857 /nfs/dbraw/zinc/10/08/57/442100857.db2.gz QJDNJYBXADFMHO-GFCCVEGCSA-N 2 2 326.238 1.093 50 0 EDAALP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000097142174 442174495 /nfs/dbraw/zinc/17/44/95/442174495.db2.gz DCXPURZHHITEPH-HNNXBMFYSA-N 2 2 343.265 1.786 50 0 EDAALP C[C@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000136336292 442660227 /nfs/dbraw/zinc/66/02/27/442660227.db2.gz BJWRRHWONBVMSC-FUHWJXTLSA-N 2 2 345.487 1.769 50 0 EDAALP C[C@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000136336292 442660230 /nfs/dbraw/zinc/66/02/30/442660230.db2.gz BJWRRHWONBVMSC-FUHWJXTLSA-N 2 2 345.487 1.769 50 0 EDAALP Cc1nn2cc(CNc3cc(C4CC([NH3+])C4)[nH+]c(N)n3)nc2s1 ZINC000219631842 443059387 /nfs/dbraw/zinc/05/93/87/443059387.db2.gz XDTPFODHOIIRTA-UHFFFAOYSA-N 2 2 330.421 1.288 50 0 EDAALP NC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1COc1cc[nH+]cc1 ZINC000257194513 443122398 /nfs/dbraw/zinc/12/23/98/443122398.db2.gz UFIKOOOKBCHBBG-XJKSGUPXSA-N 2 2 347.365 1.972 50 0 EDAALP NC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1COc1cc[nH+]cc1 ZINC000257194513 443122402 /nfs/dbraw/zinc/12/24/02/443122402.db2.gz UFIKOOOKBCHBBG-XJKSGUPXSA-N 2 2 347.365 1.972 50 0 EDAALP CCCCNc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000240871479 443204421 /nfs/dbraw/zinc/20/44/21/443204421.db2.gz IKWLPRDZXADSKK-AWEZNQCLSA-N 2 2 334.468 1.429 50 0 EDAALP C[N@H+](CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000426504461 447460740 /nfs/dbraw/zinc/46/07/40/447460740.db2.gz IDTKKTGPCZWOSI-ROUUACIJSA-N 2 2 349.450 1.627 50 0 EDAALP C[N@@H+](CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000426504461 447460745 /nfs/dbraw/zinc/46/07/45/447460745.db2.gz IDTKKTGPCZWOSI-ROUUACIJSA-N 2 2 349.450 1.627 50 0 EDAALP COC(=O)c1ccc([C@@H]([NH3+])[C@H]([NH3+])c2ccc(C(=O)OC)cc2)cc1 ZINC000098073365 219078474 /nfs/dbraw/zinc/07/84/74/219078474.db2.gz JAJUJYTZXAOLOG-HZPDHXFCSA-N 2 2 328.368 1.960 50 0 EDAALP CC[C@@H](C)CS(=O)(=O)NCC(C)(C)[NH+]1CCC([NH+](C)C)CC1 ZINC000071904720 215947638 /nfs/dbraw/zinc/94/76/38/215947638.db2.gz QQGKHYOJUQTRIE-CQSZACIVSA-N 2 2 333.542 1.757 50 0 EDAALP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)co1 ZINC000072427393 216217190 /nfs/dbraw/zinc/21/71/90/216217190.db2.gz NFDIZJKGTFUJNW-WMLDXEAASA-N 2 2 343.431 1.762 50 0 EDAALP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)co1 ZINC000072427393 216217193 /nfs/dbraw/zinc/21/71/93/216217193.db2.gz NFDIZJKGTFUJNW-WMLDXEAASA-N 2 2 343.431 1.762 50 0 EDAALP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)co1 ZINC000072427393 216217194 /nfs/dbraw/zinc/21/71/94/216217194.db2.gz NFDIZJKGTFUJNW-WMLDXEAASA-N 2 2 343.431 1.762 50 0 EDAALP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)co1 ZINC000072427393 216217197 /nfs/dbraw/zinc/21/71/97/216217197.db2.gz NFDIZJKGTFUJNW-WMLDXEAASA-N 2 2 343.431 1.762 50 0 EDAALP C[NH+]1CCN(CC(=O)Nc2c3c([nH+]c4c2CCCC4)CCC3)CC1 ZINC000022455017 212298170 /nfs/dbraw/zinc/29/81/70/212298170.db2.gz SWRNDJKVAXAERL-UHFFFAOYSA-N 2 2 328.460 1.635 50 0 EDAALP CCCOc1ccc(C[NH2+]CC[NH2+]CCO)cc1Br ZINC000020967455 212193651 /nfs/dbraw/zinc/19/36/51/212193651.db2.gz OSGRPYYUYLZJGY-UHFFFAOYSA-N 2 2 331.254 1.909 50 0 EDAALP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000154768038 224302630 /nfs/dbraw/zinc/30/26/30/224302630.db2.gz RNQRFPANPZLKPW-UHFFFAOYSA-N 2 2 343.431 1.409 50 0 EDAALP Cc1cccn2cc(CNC(=O)C[C@H]3C[N@H+](C(C)C)CCO3)[nH+]c12 ZINC000299763003 258079536 /nfs/dbraw/zinc/07/95/36/258079536.db2.gz FRZYSAFDDCAANS-INIZCTEOSA-N 2 2 330.432 1.758 50 0 EDAALP Cc1cccn2cc(CNC(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)[nH+]c12 ZINC000299763003 258079538 /nfs/dbraw/zinc/07/95/38/258079538.db2.gz FRZYSAFDDCAANS-INIZCTEOSA-N 2 2 330.432 1.758 50 0 EDAALP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237617407 288203649 /nfs/dbraw/zinc/20/36/49/288203649.db2.gz NUESJKNJHNMPPK-FRRDWIJNSA-N 2 2 338.477 1.316 50 0 EDAALP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237617407 288203653 /nfs/dbraw/zinc/20/36/53/288203653.db2.gz NUESJKNJHNMPPK-FRRDWIJNSA-N 2 2 338.477 1.316 50 0 EDAALP CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000077286429 441748009 /nfs/dbraw/zinc/74/80/09/441748009.db2.gz UYFCQKWKMPXYKV-INIZCTEOSA-N 2 2 342.378 1.263 50 0 EDAALP Cc1nc(N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)cc[nH+]1 ZINC000077298474 441749687 /nfs/dbraw/zinc/74/96/87/441749687.db2.gz QADIQFADVQCXLL-UHFFFAOYSA-N 2 2 341.463 1.893 50 0 EDAALP Cc1cccn2cc(CCNC(=O)C[N@@H+](C)[C@@H]3CCSC3)[nH+]c12 ZINC000096486859 442141514 /nfs/dbraw/zinc/14/15/14/442141514.db2.gz SJJHCXPFBYTLIZ-OAHLLOKOSA-N 2 2 332.473 1.739 50 0 EDAALP Cc1cccn2cc(CCNC(=O)C[N@H+](C)[C@@H]3CCSC3)[nH+]c12 ZINC000096486859 442141516 /nfs/dbraw/zinc/14/15/16/442141516.db2.gz SJJHCXPFBYTLIZ-OAHLLOKOSA-N 2 2 332.473 1.739 50 0 EDAALP CN(C)c1nc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)cc[nH+]1 ZINC000096493073 442143503 /nfs/dbraw/zinc/14/35/03/442143503.db2.gz GKHNYDUKTOCBKU-SJLPKXTDSA-N 2 2 339.443 1.323 50 0 EDAALP CCc1nc(NCCC[NH+]2CCN(c3ncccn3)CC2)cc(C)[nH+]1 ZINC000252492183 443032458 /nfs/dbraw/zinc/03/24/58/443032458.db2.gz MFHDABAEDVQYJQ-UHFFFAOYSA-N 2 2 341.463 1.762 50 0 EDAALP Cc1noc(C)c1C[N@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000221373043 443071123 /nfs/dbraw/zinc/07/11/23/443071123.db2.gz YUZOGZQAXCRSAH-KRWDZBQOSA-N 2 2 333.436 1.489 50 0 EDAALP Cc1noc(C)c1C[N@@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000221373043 443071126 /nfs/dbraw/zinc/07/11/26/443071126.db2.gz YUZOGZQAXCRSAH-KRWDZBQOSA-N 2 2 333.436 1.489 50 0 EDAALP Cn1cc(N2CCC[C@@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2=O)cn1 ZINC000089755847 282648095 /nfs/dbraw/zinc/64/80/95/282648095.db2.gz KWMUNJRURIWGNP-QGZVFWFLSA-N 2 2 340.431 1.133 50 0 EDAALP Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000069371309 215390960 /nfs/dbraw/zinc/39/09/60/215390960.db2.gz TYNNIOLDGPWELJ-SFHVURJKSA-N 2 2 344.459 1.115 50 0 EDAALP Cc1cc(C(F)(F)F)nc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000072130639 216020511 /nfs/dbraw/zinc/02/05/11/216020511.db2.gz LZTQSZDYMCQXAJ-ZDUSSCGKSA-N 2 2 343.397 1.925 50 0 EDAALP Cc1cccnc1C[NH+]1CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072145196 216032899 /nfs/dbraw/zinc/03/28/99/216032899.db2.gz USPOTLIFFDMTTB-UHFFFAOYSA-N 2 2 326.448 1.008 50 0 EDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccs2)[nH+]cn1 ZINC000072434298 216229664 /nfs/dbraw/zinc/22/96/64/216229664.db2.gz LFVJXJBMRXEWIR-UHFFFAOYSA-N 2 2 328.401 1.874 50 0 EDAALP Cc1nn2c(nc(C)cc2N2CC[NH+](CCn3cc[nH+]c3)CC2)c1C ZINC000072477143 216255987 /nfs/dbraw/zinc/25/59/87/216255987.db2.gz VQMQEDDTWRJMGP-UHFFFAOYSA-N 2 2 339.447 1.673 50 0 EDAALP CO[C@H]1CC[N@H+](Cc2ccccc2OCC[NH+]2CCN(C)CC2)C1 ZINC000215609191 241134550 /nfs/dbraw/zinc/13/45/50/241134550.db2.gz VXSSBPXDDPOCTE-SFHVURJKSA-N 2 2 333.476 1.534 50 0 EDAALP CO[C@H]1CC[N@@H+](Cc2ccccc2OCC[NH+]2CCN(C)CC2)C1 ZINC000215609191 241134554 /nfs/dbraw/zinc/13/45/54/241134554.db2.gz VXSSBPXDDPOCTE-SFHVURJKSA-N 2 2 333.476 1.534 50 0 EDAALP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000095968269 296131108 /nfs/dbraw/zinc/13/11/08/296131108.db2.gz QXZHKHQYBYKNBP-LSDHHAIUSA-N 2 2 340.489 1.709 50 0 EDAALP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000079101788 217194493 /nfs/dbraw/zinc/19/44/93/217194493.db2.gz RVQJHFVZIKZZBN-INIZCTEOSA-N 2 2 348.491 1.747 50 0 EDAALP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](n4cccn4)C3)cn2)CC1 ZINC000092967909 218184169 /nfs/dbraw/zinc/18/41/69/218184169.db2.gz UAUYDIUIQDDXOX-QGZVFWFLSA-N 2 2 341.463 1.262 50 0 EDAALP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](n4cccn4)C3)cn2)CC1 ZINC000092967909 218184171 /nfs/dbraw/zinc/18/41/71/218184171.db2.gz UAUYDIUIQDDXOX-QGZVFWFLSA-N 2 2 341.463 1.262 50 0 EDAALP Cn1ccnc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095366977 218298789 /nfs/dbraw/zinc/29/87/89/218298789.db2.gz ZWUPXFZIKNFUQX-OAHLLOKOSA-N 2 2 344.463 1.588 50 0 EDAALP CNc1nc(NCc2c[nH+]cn2CCOC)cc([C@@H]2CCOC2)[nH+]1 ZINC000299766094 258080861 /nfs/dbraw/zinc/08/08/61/258080861.db2.gz CFCXQHKCYKKRQX-GFCCVEGCSA-N 2 2 332.408 1.477 50 0 EDAALP CNS(=O)(=O)c1ccccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000096477232 277291771 /nfs/dbraw/zinc/29/17/71/277291771.db2.gz RNVRRKHNXDOWRX-UHFFFAOYSA-N 2 2 339.505 1.805 50 0 EDAALP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2ccccc2Cl)CC1 ZINC000013694404 441165513 /nfs/dbraw/zinc/16/55/13/441165513.db2.gz YAMIYYUDFKRXKH-UHFFFAOYSA-N 2 2 347.850 1.512 50 0 EDAALP Cc1cc(N2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)[nH+]c2ccccc12 ZINC000071759119 441151600 /nfs/dbraw/zinc/15/16/00/441151600.db2.gz SLXCWKYFLBCOSD-RTBURBONSA-N 2 2 341.455 1.940 50 0 EDAALP COCC[NH+]1CCC([NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)CC1 ZINC000065478065 441442953 /nfs/dbraw/zinc/44/29/53/441442953.db2.gz GAIVNNHSLCUYIY-UHFFFAOYSA-N 2 2 337.512 1.810 50 0 EDAALP C[C@@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000089900986 441592668 /nfs/dbraw/zinc/59/26/68/441592668.db2.gz RZRODTKCLHWKAK-DZGCQCFKSA-N 2 2 340.493 1.371 50 0 EDAALP OC1CC[NH+](C2CCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)CC1 ZINC000077358448 441762608 /nfs/dbraw/zinc/76/26/08/441762608.db2.gz HNCLAPHTPRNPAA-UHFFFAOYSA-N 2 2 341.459 1.752 50 0 EDAALP OC1CC[NH+](C2CCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2)CC1 ZINC000077358448 441762614 /nfs/dbraw/zinc/76/26/14/441762614.db2.gz HNCLAPHTPRNPAA-UHFFFAOYSA-N 3 2 341.459 1.752 50 0 EDAALP CN(C)c1cncc(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095498759 441937338 /nfs/dbraw/zinc/93/73/38/441937338.db2.gz PMSKCKOFUQQPCP-HNNXBMFYSA-N 2 2 343.479 1.685 50 0 EDAALP O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079182173 442027639 /nfs/dbraw/zinc/02/76/39/442027639.db2.gz QDYWGSVNSMZYQK-INIZCTEOSA-N 2 2 343.475 1.965 50 0 EDAALP O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079182173 442027643 /nfs/dbraw/zinc/02/76/43/442027643.db2.gz QDYWGSVNSMZYQK-INIZCTEOSA-N 2 2 343.475 1.965 50 0 EDAALP C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[NH+]1CCSCC1 ZINC000179158810 442585259 /nfs/dbraw/zinc/58/52/59/442585259.db2.gz HFPUESVDTQOVJK-OAHLLOKOSA-N 2 2 348.516 1.600 50 0 EDAALP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2cn3ccccc3[nH+]2)C1(C)C ZINC000188052183 442705717 /nfs/dbraw/zinc/70/57/17/442705717.db2.gz YRWBDCJYDAOZED-KSSFIOAISA-N 2 2 330.432 1.526 50 0 EDAALP c1nc(N2CC[NH+](CC[C@H]3CCCO3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000189371167 442931346 /nfs/dbraw/zinc/93/13/46/442931346.db2.gz IJFJLJQLIBXOAP-MRXNPFEDSA-N 2 2 347.463 1.004 50 0 EDAALP c1cn(Cc2ccccc2)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000252488264 443030596 /nfs/dbraw/zinc/03/05/96/443030596.db2.gz IOHUNTBKBXCKIN-GOSISDBHSA-N 2 2 325.460 1.411 50 0 EDAALP C[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)[NH+]1CCCCC1 ZINC000426641418 447484191 /nfs/dbraw/zinc/48/41/91/447484191.db2.gz SNNBMYMPNMEBJD-MRXNPFEDSA-N 2 2 331.460 1.911 50 0 EDAALP Cc1nc(NCCCCC[NH+]2CCOCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426668304 447488420 /nfs/dbraw/zinc/48/84/20/447488420.db2.gz KOHBBLYYRWGUBL-MRXNPFEDSA-N 2 2 334.464 2.203 50 0 EDAALP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523119 447675541 /nfs/dbraw/zinc/67/55/41/447675541.db2.gz HBIIJBBBZPZNOC-DLBZAZTESA-N 2 2 348.491 1.448 50 0 EDAALP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523119 447675549 /nfs/dbraw/zinc/67/55/49/447675549.db2.gz HBIIJBBBZPZNOC-DLBZAZTESA-N 2 2 348.491 1.448 50 0 EDAALP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523119 447675555 /nfs/dbraw/zinc/67/55/55/447675555.db2.gz HBIIJBBBZPZNOC-DLBZAZTESA-N 2 2 348.491 1.448 50 0 EDAALP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408523119 447675563 /nfs/dbraw/zinc/67/55/63/447675563.db2.gz HBIIJBBBZPZNOC-DLBZAZTESA-N 2 2 348.491 1.448 50 0 EDAALP CCc1nn(C)c(Cl)c1CN1CC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067541034 215159271 /nfs/dbraw/zinc/15/92/71/215159271.db2.gz SDNCPAAORQYVOA-UHFFFAOYSA-N 2 2 339.915 1.848 50 0 EDAALP CCc1nn(C)c(Cl)c1CN1CC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067541034 215159274 /nfs/dbraw/zinc/15/92/74/215159274.db2.gz SDNCPAAORQYVOA-UHFFFAOYSA-N 2 2 339.915 1.848 50 0 EDAALP Cn1nc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n(-c2ccccc2)c1=O ZINC000067674270 215179683 /nfs/dbraw/zinc/17/96/83/215179683.db2.gz AUPPVOGLZXZHPE-OAHLLOKOSA-N 2 2 341.459 1.502 50 0 EDAALP Cn1nc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n(-c2ccccc2)c1=O ZINC000067674270 215179688 /nfs/dbraw/zinc/17/96/88/215179688.db2.gz AUPPVOGLZXZHPE-OAHLLOKOSA-N 2 2 341.459 1.502 50 0 EDAALP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000067895289 215244261 /nfs/dbraw/zinc/24/42/61/215244261.db2.gz SCUKSNZYQRGRGO-GJZGRUSLSA-N 2 2 341.415 1.143 50 0 EDAALP C[C@@H](c1ccc(-c2cc(NCCO)nc(N)[nH+]2)cc1)[NH+]1CCOCC1 ZINC000215564812 241132265 /nfs/dbraw/zinc/13/22/65/241132265.db2.gz VSJBTMCTVZXVSJ-ZDUSSCGKSA-N 2 2 343.431 1.523 50 0 EDAALP CSc1ccc(C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)cc1 ZINC000019868411 212077165 /nfs/dbraw/zinc/07/71/65/212077165.db2.gz CNEJUQYTEWNLJX-UHFFFAOYSA-N 2 2 349.544 1.983 50 0 EDAALP Cn1ncc2c1nc[nH+]c2NCc1ccccc1C[NH+]1CCOCC1 ZINC000012486358 211393815 /nfs/dbraw/zinc/39/38/15/211393815.db2.gz LZVUSXAOZICPAI-UHFFFAOYSA-N 2 2 338.415 1.808 50 0 EDAALP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)N1CCOCC1 ZINC000095419316 218359129 /nfs/dbraw/zinc/35/91/29/218359129.db2.gz DCAYIKIRADEMDD-UHFFFAOYSA-N 2 2 332.492 1.746 50 0 EDAALP COCCn1c[nH+]cc1CNC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000299792891 258097818 /nfs/dbraw/zinc/09/78/18/258097818.db2.gz GRHWBIDGUKZSCS-INIZCTEOSA-N 2 2 334.395 1.588 50 0 EDAALP CCc1[nH+]ccn1[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278211579 135638778 /nfs/dbraw/zinc/63/87/78/135638778.db2.gz FQSFYHLTDYRWTG-LLVKDONJSA-N 2 2 326.408 1.546 50 0 EDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3cnn(C)c3)c2cc1C ZINC000044974480 440934381 /nfs/dbraw/zinc/93/43/81/440934381.db2.gz KBHAEQAUDZLTNW-MRXNPFEDSA-N 2 2 327.432 1.880 50 0 EDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3cnn(C)c3)c2cc1C ZINC000044974480 440934389 /nfs/dbraw/zinc/93/43/89/440934389.db2.gz KBHAEQAUDZLTNW-MRXNPFEDSA-N 2 2 327.432 1.880 50 0 EDAALP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000070040471 441107718 /nfs/dbraw/zinc/10/77/18/441107718.db2.gz JYMSGILCMNXHDX-HZPDHXFCSA-N 2 2 338.496 1.665 50 0 EDAALP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000070040471 441107724 /nfs/dbraw/zinc/10/77/24/441107724.db2.gz JYMSGILCMNXHDX-HZPDHXFCSA-N 2 2 338.496 1.665 50 0 EDAALP O=C1CCCN1C1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000071746543 441149839 /nfs/dbraw/zinc/14/98/39/441149839.db2.gz SGDUIJQHQUFNGP-UHFFFAOYSA-N 2 2 325.416 1.918 50 0 EDAALP CC(C)[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153821 441328033 /nfs/dbraw/zinc/32/80/33/441328033.db2.gz YKBPURASNFLMAS-IIDMSEBBSA-N 2 2 348.491 1.898 50 0 EDAALP CC(C)C[N@@H+]1CCN(c2cc(NC3CC3)[nH+]c(N)n2)C[C@H]1CCO ZINC000106258387 441330331 /nfs/dbraw/zinc/33/03/31/441330331.db2.gz HABQOMHCHBXUET-CQSZACIVSA-N 2 2 334.468 1.162 50 0 EDAALP CC(C)C[N@H+]1CCN(c2cc(NC3CC3)[nH+]c(N)n2)C[C@H]1CCO ZINC000106258387 441330336 /nfs/dbraw/zinc/33/03/36/441330336.db2.gz HABQOMHCHBXUET-CQSZACIVSA-N 2 2 334.468 1.162 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000106669526 441363285 /nfs/dbraw/zinc/36/32/85/441363285.db2.gz LNUUACOLXLYYLI-OAGGEKHMSA-N 2 2 338.496 1.412 50 0 EDAALP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000106669526 441363288 /nfs/dbraw/zinc/36/32/88/441363288.db2.gz LNUUACOLXLYYLI-OAGGEKHMSA-N 2 2 338.496 1.412 50 0 EDAALP C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCOc4ccccc4C3)C2)CC1 ZINC000065374234 441421177 /nfs/dbraw/zinc/42/11/77/441421177.db2.gz NHSMWNWOEOXFKR-UHFFFAOYSA-N 2 2 343.471 1.825 50 0 EDAALP C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCOc4ccccc4C3)C2)CC1 ZINC000065374234 441421179 /nfs/dbraw/zinc/42/11/79/441421179.db2.gz NHSMWNWOEOXFKR-UHFFFAOYSA-N 2 2 343.471 1.825 50 0 EDAALP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000074534810 441443897 /nfs/dbraw/zinc/44/38/97/441443897.db2.gz XVKIOHAUTTZBMF-INIZCTEOSA-N 2 2 349.479 1.545 50 0 EDAALP C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000107148592 441400879 /nfs/dbraw/zinc/40/08/79/441400879.db2.gz OYYHLVLDRCRRBI-DLBZAZTESA-N 2 2 337.508 1.820 50 0 EDAALP C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000107148592 441400882 /nfs/dbraw/zinc/40/08/82/441400882.db2.gz OYYHLVLDRCRRBI-DLBZAZTESA-N 2 2 337.508 1.820 50 0 EDAALP O=C(NCCC[NH+]1CCOCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030944577 441508284 /nfs/dbraw/zinc/50/82/84/441508284.db2.gz SPXPJKGRXYEYSM-UHFFFAOYSA-N 2 2 328.416 1.384 50 0 EDAALP CCc1c(C)[nH+]c(C)nc1N1CCC(c2[nH+]ccn2CC(N)=O)CC1 ZINC000095523311 441947954 /nfs/dbraw/zinc/94/79/54/441947954.db2.gz OACJCOCTOBUUTL-UHFFFAOYSA-N 2 2 342.447 1.722 50 0 EDAALP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000069919131 442073049 /nfs/dbraw/zinc/07/30/49/442073049.db2.gz YLBYKBOUZVFVQQ-MRXNPFEDSA-N 2 2 333.480 1.329 50 0 EDAALP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000069919131 442073056 /nfs/dbraw/zinc/07/30/56/442073056.db2.gz YLBYKBOUZVFVQQ-MRXNPFEDSA-N 2 2 333.480 1.329 50 0 EDAALP C[C@@H](C(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000171868638 442386196 /nfs/dbraw/zinc/38/61/96/442386196.db2.gz TXSOXFNBFKYVIW-INIZCTEOSA-N 2 2 345.487 1.660 50 0 EDAALP C[C@@H](C(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000171868638 442386198 /nfs/dbraw/zinc/38/61/98/442386198.db2.gz TXSOXFNBFKYVIW-INIZCTEOSA-N 2 2 345.487 1.660 50 0 EDAALP C[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000171868638 442386200 /nfs/dbraw/zinc/38/62/00/442386200.db2.gz TXSOXFNBFKYVIW-INIZCTEOSA-N 2 2 345.487 1.660 50 0 EDAALP C[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000171868638 442386203 /nfs/dbraw/zinc/38/62/03/442386203.db2.gz TXSOXFNBFKYVIW-INIZCTEOSA-N 2 2 345.487 1.660 50 0 EDAALP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000186441957 442535622 /nfs/dbraw/zinc/53/56/22/442535622.db2.gz KSHRZHAYQSNOBW-QGZVFWFLSA-N 2 2 332.448 1.866 50 0 EDAALP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCc2cn3ccccc3[nH+]2)C1(C)C ZINC000188052205 442705797 /nfs/dbraw/zinc/70/57/97/442705797.db2.gz YRWBDCJYDAOZED-RDTXWAMCSA-N 2 2 330.432 1.526 50 0 EDAALP C[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3OCC[NH+](Cc4ccccc4)[C@H]3C2)C1 ZINC000252476933 443025344 /nfs/dbraw/zinc/02/53/44/443025344.db2.gz DZVCFPOPMOVCBK-FHWLQOOXSA-N 2 2 343.471 1.440 50 0 EDAALP C[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3OCC[NH+](Cc4ccccc4)[C@H]3C2)C1 ZINC000252476933 443025347 /nfs/dbraw/zinc/02/53/47/443025347.db2.gz DZVCFPOPMOVCBK-FHWLQOOXSA-N 2 2 343.471 1.440 50 0 EDAALP C[NH+]1CCC[C@H](C(=O)N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC000252476933 443025352 /nfs/dbraw/zinc/02/53/52/443025352.db2.gz DZVCFPOPMOVCBK-FHWLQOOXSA-N 2 2 343.471 1.440 50 0 EDAALP C[NH+]1CCC[C@H](C(=O)N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC000252476933 443025357 /nfs/dbraw/zinc/02/53/57/443025357.db2.gz DZVCFPOPMOVCBK-FHWLQOOXSA-N 2 2 343.471 1.440 50 0 EDAALP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1csc(C[NH3+])n1 ZINC000237678198 443179820 /nfs/dbraw/zinc/17/98/20/443179820.db2.gz GNSIMFILGYOZGD-ZDUSSCGKSA-N 2 2 330.457 1.948 50 0 EDAALP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1csc(C[NH3+])n1 ZINC000237678198 443179823 /nfs/dbraw/zinc/17/98/23/443179823.db2.gz GNSIMFILGYOZGD-ZDUSSCGKSA-N 2 2 330.457 1.948 50 0 EDAALP C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccn2)CC1)[NH+]1CCOCC1 ZINC000244734475 443213781 /nfs/dbraw/zinc/21/37/81/443213781.db2.gz NGFCECGZRNRQAX-QGZVFWFLSA-N 2 2 346.475 1.227 50 0 EDAALP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1)[NH+]1CCOCC1 ZINC000244734475 443213783 /nfs/dbraw/zinc/21/37/83/443213783.db2.gz NGFCECGZRNRQAX-QGZVFWFLSA-N 2 2 346.475 1.227 50 0 EDAALP CC[NH+]1CCC(NC(=O)CN2CCc3c([nH+]c(C4CC4)n3C)C2)CC1 ZINC000084789047 486287329 /nfs/dbraw/zinc/28/73/29/486287329.db2.gz IIQQUCQLWULOFP-UHFFFAOYSA-N 2 2 345.491 1.256 50 0 EDAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000067947003 215255942 /nfs/dbraw/zinc/25/59/42/215255942.db2.gz CVADAOTYQQXAFF-QGZVFWFLSA-N 2 2 340.427 1.323 50 0 EDAALP CC(C)C[N@H+](C)CCN1CC2(CC[NH+](Cc3ncc[nH]3)CC2)OC1=O ZINC000072421978 216209975 /nfs/dbraw/zinc/20/99/75/216209975.db2.gz NLLIQYIVIJYNFU-UHFFFAOYSA-N 2 2 349.479 1.784 50 0 EDAALP CC(C)C[N@@H+](C)CCN1CC2(CC[NH+](Cc3ncc[nH]3)CC2)OC1=O ZINC000072421978 216209977 /nfs/dbraw/zinc/20/99/77/216209977.db2.gz NLLIQYIVIJYNFU-UHFFFAOYSA-N 2 2 349.479 1.784 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000072422957 216211671 /nfs/dbraw/zinc/21/16/71/216211671.db2.gz WEBIWNDUUQQMKH-HNNXBMFYSA-N 2 2 333.480 1.361 50 0 EDAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072422957 216211673 /nfs/dbraw/zinc/21/16/73/216211673.db2.gz WEBIWNDUUQQMKH-HNNXBMFYSA-N 2 2 333.480 1.361 50 0 EDAALP CS[C@H]1CCCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000095443486 218387905 /nfs/dbraw/zinc/38/79/05/218387905.db2.gz DXGHUYNJFVOMES-INIZCTEOSA-N 2 2 342.553 1.940 50 0 EDAALP C[N@@H+]1C[C@H](NC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1CO ZINC000299782805 258091253 /nfs/dbraw/zinc/09/12/53/258091253.db2.gz DWGCZTHGCPUGJA-OLZOCXBDSA-N 2 2 349.822 1.712 50 0 EDAALP C[N@H+]1C[C@H](NC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1CO ZINC000299782805 258091254 /nfs/dbraw/zinc/09/12/54/258091254.db2.gz DWGCZTHGCPUGJA-OLZOCXBDSA-N 2 2 349.822 1.712 50 0 EDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000034668452 132388322 /nfs/dbraw/zinc/38/83/22/132388322.db2.gz LHKZXYALCBABLG-MRXNPFEDSA-N 2 2 348.466 1.500 50 0 EDAALP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000067694827 279598054 /nfs/dbraw/zinc/59/80/54/279598054.db2.gz LUKDSBVTIUOYFQ-WFASDCNBSA-N 2 2 341.415 1.143 50 0 EDAALP C[N@H+](CC(C)(C)NS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000003178776 440889311 /nfs/dbraw/zinc/88/93/11/440889311.db2.gz REALNDPRVXPCGQ-UHFFFAOYSA-N 2 2 339.505 1.770 50 0 EDAALP C[N@@H+](CC(C)(C)NS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000003178776 440889315 /nfs/dbraw/zinc/88/93/15/440889315.db2.gz REALNDPRVXPCGQ-UHFFFAOYSA-N 2 2 339.505 1.770 50 0 EDAALP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)C1 ZINC000071909027 441193035 /nfs/dbraw/zinc/19/30/35/441193035.db2.gz NDNUCVWCSGEEOI-LJQANCHMSA-N 2 2 348.535 1.632 50 0 EDAALP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)C1 ZINC000071909027 441193039 /nfs/dbraw/zinc/19/30/39/441193039.db2.gz NDNUCVWCSGEEOI-LJQANCHMSA-N 2 2 348.535 1.632 50 0 EDAALP OC[C@@H](Cc1ccccc1)[NH2+]CC[NH2+][C@H](CO)Cc1ccccc1 ZINC000022863342 441287228 /nfs/dbraw/zinc/28/72/28/441287228.db2.gz GKXQUUSWUBOZHX-BGYRXZFFSA-N 2 2 328.456 1.373 50 0 EDAALP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCS(N)(=O)=O ZINC000107511103 441418507 /nfs/dbraw/zinc/41/85/07/441418507.db2.gz SREVEIPEEDBUJH-GOEBONIOSA-N 2 2 325.478 1.117 50 0 EDAALP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCS(N)(=O)=O ZINC000107511103 441418510 /nfs/dbraw/zinc/41/85/10/441418510.db2.gz SREVEIPEEDBUJH-GOEBONIOSA-N 2 2 325.478 1.117 50 0 EDAALP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCS(N)(=O)=O ZINC000107511103 441418513 /nfs/dbraw/zinc/41/85/13/441418513.db2.gz SREVEIPEEDBUJH-GOEBONIOSA-N 2 2 325.478 1.117 50 0 EDAALP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCS(N)(=O)=O ZINC000107511103 441418515 /nfs/dbraw/zinc/41/85/15/441418515.db2.gz SREVEIPEEDBUJH-GOEBONIOSA-N 2 2 325.478 1.117 50 0 EDAALP C[C@@H](CNC(=O)[C@@](C)(c1ccccc1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000065517070 441449723 /nfs/dbraw/zinc/44/97/23/441449723.db2.gz HOSOLYLLDONJRU-FXAWDEMLSA-N 2 2 345.487 1.835 50 0 EDAALP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000089813956 441581899 /nfs/dbraw/zinc/58/18/99/441581899.db2.gz MAENGBZIUBXURG-UHFFFAOYSA-N 2 2 325.416 1.862 50 0 EDAALP CN(C)c1nc2c(c(N3CCC[C@@H](Cn4cc[nH+]c4)C3)n1)CC[NH2+]C2 ZINC000067846674 441687064 /nfs/dbraw/zinc/68/70/64/441687064.db2.gz LTXFCOVJRFKUFE-AWEZNQCLSA-N 2 2 341.463 1.301 50 0 EDAALP CCCc1cc(N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)nc(C)[nH+]1 ZINC000095523458 441948732 /nfs/dbraw/zinc/94/87/32/441948732.db2.gz MRWCFEDWHWVSJD-CQSZACIVSA-N 2 2 342.447 1.803 50 0 EDAALP Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000069601644 441986864 /nfs/dbraw/zinc/98/68/64/441986864.db2.gz WYDBREHFTYNSRJ-RBUKOAKNSA-N 2 2 349.523 1.842 50 0 EDAALP Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2C[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000069601644 441986869 /nfs/dbraw/zinc/98/68/69/441986869.db2.gz WYDBREHFTYNSRJ-RBUKOAKNSA-N 2 2 349.523 1.842 50 0 EDAALP C[C@@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000069923401 442075912 /nfs/dbraw/zinc/07/59/12/442075912.db2.gz RMTJQEBCUSRENE-RDJZCZTQSA-N 2 2 328.416 1.322 50 0 EDAALP c1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000096411867 442117450 /nfs/dbraw/zinc/11/74/50/442117450.db2.gz HCZOUYQZGBXWMO-UHFFFAOYSA-N 2 2 339.443 1.635 50 0 EDAALP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)N2CCOCC2)CC1 ZINC000096489061 442142167 /nfs/dbraw/zinc/14/21/67/442142167.db2.gz RKXXILRHPPDBEE-UHFFFAOYSA-N 2 2 335.452 1.042 50 0 EDAALP CCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096487493 442142513 /nfs/dbraw/zinc/14/25/13/442142513.db2.gz POZUQGWCYADITM-UHFFFAOYSA-N 2 2 346.884 1.186 50 0 EDAALP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1Cn1cccn1 ZINC000247957881 442874597 /nfs/dbraw/zinc/87/45/97/442874597.db2.gz DHHCVKKGILGVSN-RBUKOAKNSA-N 2 2 328.460 1.840 50 0 EDAALP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1Cn1cccn1 ZINC000247957881 442874598 /nfs/dbraw/zinc/87/45/98/442874598.db2.gz DHHCVKKGILGVSN-RBUKOAKNSA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247957881 442874600 /nfs/dbraw/zinc/87/46/00/442874600.db2.gz DHHCVKKGILGVSN-RBUKOAKNSA-N 2 2 328.460 1.840 50 0 EDAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000247957881 442874602 /nfs/dbraw/zinc/87/46/02/442874602.db2.gz DHHCVKKGILGVSN-RBUKOAKNSA-N 2 2 328.460 1.840 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@H+](Cc3cc4ccccc4[nH]3)C[C@H](O)C2)n1 ZINC000225323566 443100286 /nfs/dbraw/zinc/10/02/86/443100286.db2.gz VCPMGEBVDSACFA-HNNXBMFYSA-N 2 2 338.415 1.223 50 0 EDAALP Nc1cc[nH+]c(N2CC[N@@H+](Cc3cc4ccccc4[nH]3)C[C@H](O)C2)n1 ZINC000225323566 443100288 /nfs/dbraw/zinc/10/02/88/443100288.db2.gz VCPMGEBVDSACFA-HNNXBMFYSA-N 2 2 338.415 1.223 50 0 EDAALP CN(C)C(=O)[C@@H]1C[C@@H](Oc2cc[nH+]cc2)C[N@@H+]1Cc1cccnc1 ZINC000257174437 443117151 /nfs/dbraw/zinc/11/71/51/443117151.db2.gz GZQSUZFWQWADPG-SJORKVTESA-N 2 2 326.400 1.587 50 0 EDAALP CN(C)C(=O)[C@@H]1C[C@@H](Oc2cc[nH+]cc2)C[N@H+]1Cc1cccnc1 ZINC000257174437 443117153 /nfs/dbraw/zinc/11/71/53/443117153.db2.gz GZQSUZFWQWADPG-SJORKVTESA-N 2 2 326.400 1.587 50 0 EDAALP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CSC[NH2+]2)C[C@@H](C)O1 ZINC000237410365 443170714 /nfs/dbraw/zinc/17/07/14/443170714.db2.gz SXOGEVWATXTVNL-CKEIUWERSA-N 2 2 349.500 1.575 50 0 EDAALP CCCCNc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000240871480 443204246 /nfs/dbraw/zinc/20/42/46/443204246.db2.gz IKWLPRDZXADSKK-CQSZACIVSA-N 2 2 334.468 1.429 50 0 EDAALP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301921398 444196879 /nfs/dbraw/zinc/19/68/79/444196879.db2.gz FTHHPOHXSFWJSW-OAHLLOKOSA-N 2 2 344.463 1.217 50 0 EDAALP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301921398 444196881 /nfs/dbraw/zinc/19/68/81/444196881.db2.gz FTHHPOHXSFWJSW-OAHLLOKOSA-N 2 2 344.463 1.217 50 0 EDAALP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301921398 444196883 /nfs/dbraw/zinc/19/68/83/444196883.db2.gz FTHHPOHXSFWJSW-OAHLLOKOSA-N 2 2 344.463 1.217 50 0 EDAALP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301921398 444196884 /nfs/dbraw/zinc/19/68/84/444196884.db2.gz FTHHPOHXSFWJSW-OAHLLOKOSA-N 2 2 344.463 1.217 50 0 EDAALP Cc1nc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c2c([nH+]1)CCCC2 ZINC000333912938 444716640 /nfs/dbraw/zinc/71/66/40/444716640.db2.gz LZOZWDWFINKGLF-AWEZNQCLSA-N 2 2 329.448 1.064 50 0 EDAALP O=C(c1cccnc1)N1CCC([NH2+]CC2(Cn3cc[nH+]c3)CC2)CC1 ZINC000534589981 448457009 /nfs/dbraw/zinc/45/70/09/448457009.db2.gz SKPFMGJJANOEEI-UHFFFAOYSA-N 2 2 339.443 1.953 50 0 EDAALP