smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001506408383 975153332 /nfs/dbraw/zinc/15/33/32/975153332.db2.gz RVYOBOLXVCJWMS-CQSZACIVSA-N 2 0 281.444 1.566 50 0 CDAARP C(CCSC1=[NH+]CCN1)CSC1=[NH+]CCN1 ZINC000001628138 355942981 /nfs/dbraw/zinc/94/29/81/355942981.db2.gz CVEDHUHKTQSTLD-UHFFFAOYSA-N 2 0 258.416 1.151 50 0 CDAARP CN1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000065488701 357544620 /nfs/dbraw/zinc/54/46/20/357544620.db2.gz NSOWJOSOJRRSOK-UHFFFAOYSA-N 2 0 252.333 1.888 50 0 CDAARP CCCCc1c(C)[nH+]c(N)nc1N1CC[C@H]([NH+](C)C)C1 ZINC000091690428 358522276 /nfs/dbraw/zinc/52/22/76/358522276.db2.gz CZRSZPVWEHGANE-LBPRGKRZSA-N 2 0 277.416 1.850 50 0 CDAARP Cc1cc(F)ccc1CN1CCO[C@H](CC[NH3+])C1 ZINC000097823436 358800887 /nfs/dbraw/zinc/80/08/87/358800887.db2.gz VDKHESUVGPNGLD-CQSZACIVSA-N 2 0 252.333 1.684 50 0 CDAARP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000245418549 367273986 /nfs/dbraw/zinc/27/39/86/367273986.db2.gz GPAZVHSRZKTBAT-BFHYXJOUSA-N 2 0 267.417 1.447 50 0 CDAARP CN(Cc1ccc(CO)o1)C[C@]1(C)CC[N@H+](C)C1 ZINC000670437740 482978654 /nfs/dbraw/zinc/97/86/54/482978654.db2.gz NZMQQVGOTQEAFW-CQSZACIVSA-N 2 0 252.358 1.546 50 0 CDAARP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1(C)C ZINC000108461796 412828867 /nfs/dbraw/zinc/82/88/67/412828867.db2.gz JSGVNUHOHKQLKE-QLFBSQMISA-N 2 0 283.460 1.416 50 0 CDAARP OCCCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000095415791 374918170 /nfs/dbraw/zinc/91/81/70/374918170.db2.gz CHBXBBORLLGZTJ-UHFFFAOYSA-N 2 0 263.385 1.756 50 0 CDAARP C[N@@H+]1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000095420732 374923166 /nfs/dbraw/zinc/92/31/66/374923166.db2.gz SCZOYHXMZOPBKA-HNNXBMFYSA-N 2 0 251.418 1.545 50 0 CDAARP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCC[NH+](C)C)c1C ZINC000003422568 375689381 /nfs/dbraw/zinc/68/93/81/375689381.db2.gz MTZURZQNFVIBHJ-MRXNPFEDSA-N 2 0 294.439 1.893 50 0 CDAARP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262775041 278227390 /nfs/dbraw/zinc/22/73/90/278227390.db2.gz VXQUUKATLHUGSA-CYDGBPFRSA-N 2 0 253.390 1.232 50 0 CDAARP CC[N@@H+]1CCC[C@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC000032540700 279317247 /nfs/dbraw/zinc/31/72/47/279317247.db2.gz BCSJDSWAOGLBCU-GJZGRUSLSA-N 2 0 253.434 1.885 50 0 CDAARP CCO[C@H]1C[N@H+](C)C[C@@H]1Nc1nc(N(C)C)[nH+]c(C)c1C ZINC000823350072 925687316 /nfs/dbraw/zinc/68/73/16/925687316.db2.gz JWAJHZWGLBVKFZ-STQMWFEESA-N 2 0 293.415 1.290 50 0 CDAARP CCOc1ccc(NC2=NC(C)(C)NC(=[NH2+])N2)cc1 ZINC000000314668 355903561 /nfs/dbraw/zinc/90/35/61/355903561.db2.gz XABUHKCLFIROTA-UHFFFAOYSA-N 2 0 261.329 1.507 50 0 CDAARP [NH3+][C@H]1CCN(C(=O)CC[NH+]2CCCCCCC2)C1 ZINC000055073122 357328688 /nfs/dbraw/zinc/32/86/88/357328688.db2.gz QSDPUQMTEFIKKK-ZDUSSCGKSA-N 2 0 253.390 1.202 50 0 CDAARP O[C@@]1(C[NH2+]CCOCc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000072423352 357834083 /nfs/dbraw/zinc/83/40/83/357834083.db2.gz FGEODQWLUVBJLE-HNNXBMFYSA-N 2 0 298.814 1.561 50 0 CDAARP CC[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000097002311 357910298 /nfs/dbraw/zinc/91/02/98/357910298.db2.gz PZSREKOIWRHNFF-MRXNPFEDSA-N 2 0 283.460 1.515 50 0 CDAARP CC[NH+](CC)CCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000019470498 358064495 /nfs/dbraw/zinc/06/44/95/358064495.db2.gz VJDGCDQNBDNSDB-MRXNPFEDSA-N 2 0 289.423 1.549 50 0 CDAARP C[NH+](C)Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1 ZINC000426444696 360671577 /nfs/dbraw/zinc/67/15/77/360671577.db2.gz UYPIMLWZXHJNKT-WNKDZCFJSA-N 2 0 299.418 1.571 50 0 CDAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000037644245 369505486 /nfs/dbraw/zinc/50/54/86/369505486.db2.gz CGOHSXGVSPBUPW-CQSZACIVSA-N 2 0 276.380 1.889 50 0 CDAARP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)cc12 ZINC000107912599 412805182 /nfs/dbraw/zinc/80/51/82/412805182.db2.gz SWQUUQNAYFISHV-ZDUSSCGKSA-N 2 0 287.411 1.708 50 0 CDAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000093564818 374768408 /nfs/dbraw/zinc/76/84/08/374768408.db2.gz BZPSNQLKQHAFLO-HNNXBMFYSA-N 2 0 293.455 1.733 50 0 CDAARP C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299738466 375198974 /nfs/dbraw/zinc/19/89/74/375198974.db2.gz BDLHYPLZEHHBHX-ZBFHGGJFSA-N 2 0 289.423 1.575 50 0 CDAARP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000095466867 184995181 /nfs/dbraw/zinc/99/51/81/184995181.db2.gz WVKGMHHCEFESJS-LLVKDONJSA-N 2 0 283.803 1.577 50 0 CDAARP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCCCCC1 ZINC000261662507 391365556 /nfs/dbraw/zinc/36/55/56/391365556.db2.gz FGQPWNXUMWQAOO-UHFFFAOYSA-N 2 0 279.428 1.465 50 0 CDAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261718805 140380318 /nfs/dbraw/zinc/38/03/18/140380318.db2.gz LHJSKJRXKJKNPT-CHWSQXEVSA-N 2 0 253.390 1.071 50 0 CDAARP C[C@@H](C1CC[NH+](Cc2ccnn2C)CC1)[NH+]1CCOCC1 ZINC000020272416 171127529 /nfs/dbraw/zinc/12/75/29/171127529.db2.gz YCTOBBHQDAKAFZ-AWEZNQCLSA-N 2 0 292.427 1.353 50 0 CDAARP CCC[NH+]1CCC(NCC[NH+]2CCCCC2)CC1 ZINC000022455512 171388094 /nfs/dbraw/zinc/38/80/94/171388094.db2.gz LTHPORCSYRPGLH-UHFFFAOYSA-N 2 0 253.434 1.936 50 0 CDAARP COc1ccc(SCC[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC000077406183 177264002 /nfs/dbraw/zinc/26/40/02/177264002.db2.gz LRUSDYBCFOTZIO-CQSZACIVSA-N 2 0 282.409 1.101 50 0 CDAARP C[n+]1ccc(-c2nnc(-c3cc[n+](C)cc3)s2)cc1 ZINC000039277919 260171629 /nfs/dbraw/zinc/17/16/29/260171629.db2.gz UBHFUMULOCIPRJ-UHFFFAOYSA-N 2 0 270.361 1.521 50 0 CDAARP Cc1cc(C)c(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c(C)c1 ZINC000000071380 280386245 /nfs/dbraw/zinc/38/62/45/280386245.db2.gz GHWJZEDFJMDAHK-UHFFFAOYSA-N 2 0 259.357 1.797 50 0 CDAARP C[NH+]1CCC(OCCC[NH2+][C@@H]2CCCSC2)CC1 ZINC000534665973 328345103 /nfs/dbraw/zinc/34/51/03/328345103.db2.gz LOTIRVSQTPDIJY-CYBMUJFWSA-N 2 0 272.458 1.973 50 0 CDAARP [NH3+]C1(CC(=O)N2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000094295315 482778145 /nfs/dbraw/zinc/77/81/45/482778145.db2.gz IJPYVQXNLNKVRR-UHFFFAOYSA-N 2 0 265.401 1.345 50 0 CDAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CC[NH2+]3)cc2)CC1 ZINC000952984746 616176297 /nfs/dbraw/zinc/17/62/97/616176297.db2.gz AJBVKJGPLGFXOK-HNNXBMFYSA-N 2 0 289.379 1.460 50 0 CDAARP c1cnnc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000426495577 681570315 /nfs/dbraw/zinc/57/03/15/681570315.db2.gz HKGDMRGFKRLSEF-UHFFFAOYSA-N 2 0 260.385 1.832 50 0 CDAARP CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001265498 683571798 /nfs/dbraw/zinc/57/17/98/683571798.db2.gz TZUQJWFDMKBMEG-INIZCTEOSA-N 2 0 293.455 1.875 50 0 CDAARP OC[C@@]12C[NH2+]C[C@H]1C[N@H+](CCC1CCCCCC1)C2 ZINC001772707455 1159441469 /nfs/dbraw/zinc/44/14/69/1159441469.db2.gz SXFYLWIQYRJDBJ-HOTGVXAUSA-N 2 0 266.429 1.861 50 0 CDAARP O[C@@H]1CCC[N@H+](CCCNc2cc[nH+]c3ccccc23)C1 ZINC000828627373 926150871 /nfs/dbraw/zinc/15/08/71/926150871.db2.gz IUWYJYFBIHHISJ-CQSZACIVSA-N 2 0 285.391 1.915 50 0 CDAARP Cc1cc(C)c2[nH+]ccc(N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2c1 ZINC001506411657 975153864 /nfs/dbraw/zinc/15/38/64/975153864.db2.gz SRJURRUONYHZJZ-HOTGVXAUSA-N 2 0 285.391 1.963 50 0 CDAARP CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000585139269 342216601 /nfs/dbraw/zinc/21/66/01/342216601.db2.gz RKJXABGCXRFPER-HNNXBMFYSA-N 2 0 281.444 1.709 50 0 CDAARP COCC[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000014628703 356392133 /nfs/dbraw/zinc/39/21/33/356392133.db2.gz NNWYSXBEWWCPDJ-UHFFFAOYSA-N 2 0 263.385 1.530 50 0 CDAARP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000067954788 357639967 /nfs/dbraw/zinc/63/99/67/357639967.db2.gz SDKYMYRROLHANG-ZDUSSCGKSA-N 2 0 269.433 1.469 50 0 CDAARP c1cn(CC[NH+]2CCN(c3ccc4cc[nH]c4n3)CC2)cn1 ZINC000072462575 357837074 /nfs/dbraw/zinc/83/70/74/357837074.db2.gz OBJKWHVEIWTYAH-UHFFFAOYSA-N 2 0 296.378 1.582 50 0 CDAARP CC[C@H](C)[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1C ZINC000218912348 359070702 /nfs/dbraw/zinc/07/07/02/359070702.db2.gz SFANONMGDHFVJO-GWCFXTLKSA-N 2 0 264.373 1.292 50 0 CDAARP C[C@]([NH3+])(C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000262884688 359195731 /nfs/dbraw/zinc/19/57/31/359195731.db2.gz NUDKONFMAFHWFY-GOSISDBHSA-N 2 0 295.386 1.780 50 0 CDAARP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021993 393193610 /nfs/dbraw/zinc/19/36/10/393193610.db2.gz IINJXOIZFRSOGL-AAEUAGOBSA-N 2 0 262.353 1.627 50 0 CDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000247014784 287086093 /nfs/dbraw/zinc/08/60/93/287086093.db2.gz CIABAOWNNOOJIL-GDBMZVCRSA-N 2 0 284.444 1.580 50 0 CDAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000251942146 288304324 /nfs/dbraw/zinc/30/43/24/288304324.db2.gz ZRAXDDXGRDMKBG-ZOBORPQBSA-N 2 0 265.401 1.199 50 0 CDAARP CCC(CC)(C[NH3+])C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000888097908 617759615 /nfs/dbraw/zinc/75/96/15/617759615.db2.gz STOXAKAIDKXYLI-AWEZNQCLSA-N 3 0 294.447 1.139 50 0 CDAARP COC(C)(C)C[C@@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000824250069 925812009 /nfs/dbraw/zinc/81/20/09/925812009.db2.gz CJZHXCJMUFNZLM-OAHLLOKOSA-N 2 0 297.487 1.807 50 0 CDAARP CC1(C)CC(NCC[N@@H+]2CCC[C@@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711115 926169569 /nfs/dbraw/zinc/16/95/69/926169569.db2.gz FLZKQWINHCIPKN-CQSZACIVSA-N 2 0 297.487 1.590 50 0 CDAARP CCc1nccn1C[C@H](C)[N@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428312 975162023 /nfs/dbraw/zinc/16/20/23/975162023.db2.gz PXFIOUNQOJRUBC-ZQDZILKHSA-N 2 0 276.428 1.573 50 0 CDAARP Cc1nc2ccccn2c1CN1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097475446 358778960 /nfs/dbraw/zinc/77/89/60/358778960.db2.gz GKKJCBZTYNPOKB-KGLIPLIRSA-N 2 0 270.380 1.827 50 0 CDAARP OCC[NH+]1CCC(CCC2CC[NH+](CCO)CC2)CC1 ZINC000222550862 413706512 /nfs/dbraw/zinc/70/65/12/413706512.db2.gz UBFAJJSHDCJHEP-UHFFFAOYSA-N 2 0 284.444 1.175 50 0 CDAARP CC1CCC([C@@H]([NH3+])C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000958527735 614424669 /nfs/dbraw/zinc/42/46/69/614424669.db2.gz FYZCWKGDDWSNBW-SPIFILEBSA-N 2 0 252.402 1.786 50 0 CDAARP CC(C)n1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cn1 ZINC001529134103 968989182 /nfs/dbraw/zinc/98/91/82/968989182.db2.gz SGALUXVDONLTKJ-ZDUSSCGKSA-N 2 0 281.404 1.462 50 0 CDAARP CCc1nccn1C[C@@H](C)[NH2+][C@H]1CC[C@@H]([NH3+])CC1 ZINC001506399113 975149237 /nfs/dbraw/zinc/14/92/37/975149237.db2.gz ZCUFZRMOIASJCD-UPJWGTAASA-N 2 0 250.390 1.694 50 0 CDAARP [NH3+]C[C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000178581627 362246919 /nfs/dbraw/zinc/24/69/19/362246919.db2.gz XQXWUNKUCQUVFF-GFCCVEGCSA-N 2 0 270.336 1.293 50 0 CDAARP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436183 357472399 /nfs/dbraw/zinc/47/23/99/357472399.db2.gz WYSLSWFNDCYREB-ZIAGYGMSSA-N 2 0 267.417 1.319 50 0 CDAARP CC[N@H+](C)C[C@H](C)CNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000072422086 357833802 /nfs/dbraw/zinc/83/38/02/357833802.db2.gz OVZFJUQURSYGJQ-GFCCVEGCSA-N 2 0 291.443 1.473 50 0 CDAARP c1cncc(CN2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000097766850 358797923 /nfs/dbraw/zinc/79/79/23/358797923.db2.gz ATFCXTIPWYGGOR-MRXNPFEDSA-N 2 0 275.396 1.768 50 0 CDAARP CCc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)C2)nc1 ZINC000215485660 358891511 /nfs/dbraw/zinc/89/15/11/358891511.db2.gz ROESBPAAMSFGEH-KRWDZBQOSA-N 2 0 288.439 1.466 50 0 CDAARP COc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1OCC[NH+](C)C ZINC000215671542 358898742 /nfs/dbraw/zinc/89/87/42/358898742.db2.gz PMKBGXRUJCHXOF-CQSZACIVSA-N 2 0 294.395 1.202 50 0 CDAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000037644595 369502742 /nfs/dbraw/zinc/50/27/42/369502742.db2.gz FPJPTROESSINCF-CYBMUJFWSA-N 2 0 285.395 1.903 50 0 CDAARP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCOC1 ZINC000097237597 375158209 /nfs/dbraw/zinc/15/82/09/375158209.db2.gz MRGQRPMHIAQTRD-DLBZAZTESA-N 2 0 290.407 1.522 50 0 CDAARP C[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000011680943 170432202 /nfs/dbraw/zinc/43/22/02/170432202.db2.gz VOBHXZCDAVEXEY-JSGCOSHPSA-N 2 0 263.385 1.190 50 0 fda CDAARP C[NH+](C)C[C@]12C[NH2+]C[C@H]1CN(c1ncc(Cl)cc1F)C2 ZINC001772712022 1159445293 /nfs/dbraw/zinc/44/52/93/1159445293.db2.gz ZNICZYJSQIIOBV-HZMBPMFUSA-N 2 0 298.793 1.462 50 0 CDAARP Cc1[nH+]c(N)nc(NC[C@@H](O)C[NH+]2CCCCCC2)c1C ZINC000091574218 696099666 /nfs/dbraw/zinc/09/96/66/696099666.db2.gz XAQWDEOGYCATMS-CYBMUJFWSA-N 2 0 293.415 1.324 50 0 CDAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH2+]C)n1C ZINC000426433511 724076703 /nfs/dbraw/zinc/07/67/03/724076703.db2.gz BKROXLOGJPUOPN-JTQLQIEISA-N 2 0 269.418 1.111 50 0 CDAARP CC[C@@H]1CN(c2nc(C)nc3c2CC[NH2+]CC3)CC[N@@H+]1C ZINC000065395803 724150732 /nfs/dbraw/zinc/15/07/32/724150732.db2.gz IXNVSTOELZHSGX-CYBMUJFWSA-N 2 0 289.427 1.004 50 0 CDAARP C[C@](O)(C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000388826464 725139622 /nfs/dbraw/zinc/13/96/22/725139622.db2.gz WSQJXXIDWYWYTM-XZDPQHSOSA-N 2 0 260.381 1.563 50 0 CDAARP CC[C@@H](C(=O)NC[C@@H]1C[NH2+]Cc2ccccc21)[NH+](C)C ZINC000952852328 910408816 /nfs/dbraw/zinc/40/88/16/910408816.db2.gz WAGIHBITGQITOL-ZFWWWQNUSA-N 2 0 275.396 1.330 50 0 CDAARP Cn1nccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000825661040 925878536 /nfs/dbraw/zinc/87/85/36/925878536.db2.gz YBFPLRDGDJHVMX-UHFFFAOYSA-N 2 0 262.401 1.776 50 0 CDAARP c1ccc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)cc1 ZINC000096905018 185128411 /nfs/dbraw/zinc/12/84/11/185128411.db2.gz VJPZYEOANUCDTC-UHFFFAOYSA-N 2 0 259.397 1.556 50 0 CDAARP CC(C)c1ccc(CNCC[NH2+]C[C@@H](C)O)cc1 ZINC000019990549 356520921 /nfs/dbraw/zinc/52/09/21/356520921.db2.gz YQAZCKAREPWUCF-CYBMUJFWSA-N 2 0 250.386 1.870 50 0 CDAARP CSc1cccc(CN(C)C[C@]2(O)CC[NH2+]C2)c1 ZINC000072468363 357837182 /nfs/dbraw/zinc/83/71/82/357837182.db2.gz MUHFCTSYFSFNMG-AWEZNQCLSA-N 2 0 266.410 1.565 50 0 CDAARP C[NH+](C)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000426479136 360674050 /nfs/dbraw/zinc/67/40/50/360674050.db2.gz UDRMCOJPEPDKNJ-WNKDZCFJSA-N 2 0 299.418 1.571 50 0 CDAARP CC1(C)N=C(Nc2ccc(Cl)cc2)NC(=[NH2+])N1 ZINC000000230586 366698132 /nfs/dbraw/zinc/69/81/32/366698132.db2.gz PAAHLTWCKCGCRD-UHFFFAOYSA-N 2 0 251.721 1.762 50 0 CDAARP c1c2n(c3cccc[n+]13)Cc1c[n+]3ccccc3n1C2 ZINC000003070214 373236335 /nfs/dbraw/zinc/23/63/35/373236335.db2.gz NBVQEPREXYQHKP-UHFFFAOYSA-N 2 0 262.316 1.177 50 0 CDAARP Cc1cc(C)[n+](CCCC[n+]2c(C)cc(C)n2C)n1C ZINC000002923780 390145287 /nfs/dbraw/zinc/14/52/87/390145287.db2.gz IMVKDGOYOBOUKT-UHFFFAOYSA-N 2 0 276.428 1.653 50 0 CDAARP C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000019201126 390226187 /nfs/dbraw/zinc/22/61/87/390226187.db2.gz XJCCOKPIBODTOM-ZDUSSCGKSA-N 2 0 253.777 1.587 50 0 CDAARP Cc1ncsc1CCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC000077519372 177277746 /nfs/dbraw/zinc/27/77/46/177277746.db2.gz XPNBXNLWIJSTRW-ZDUSSCGKSA-N 2 0 269.414 1.088 50 0 CDAARP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000096491726 277386064 /nfs/dbraw/zinc/38/60/64/277386064.db2.gz VHRMETRVPBVNFD-HOCLYGCPSA-N 2 0 283.460 1.416 50 0 CDAARP C[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1 ZINC000096945836 185135559 /nfs/dbraw/zinc/13/55/59/185135559.db2.gz WKNCBMRSJIEXIG-UHFFFAOYSA-N 2 0 269.389 1.291 50 0 CDAARP C[NH+](C)CC(=O)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000585124090 362054151 /nfs/dbraw/zinc/05/41/51/362054151.db2.gz PUMLVGRODNZUKC-CYBMUJFWSA-N 2 0 276.315 1.316 50 0 CDAARP c1cncc(C[NH+]2CCC(O[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000252550529 362393924 /nfs/dbraw/zinc/39/39/24/362393924.db2.gz SPIYZFXUSDADLK-OAHLLOKOSA-N 2 0 261.369 1.425 50 0 CDAARP CCc1c(C)[nH+]c(N)nc1NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000091426970 180152390 /nfs/dbraw/zinc/15/23/90/180152390.db2.gz WCULDFLVNNAYGI-LBPRGKRZSA-N 2 0 293.415 1.046 50 0 CDAARP C[NH2+]CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000193141445 358269717 /nfs/dbraw/zinc/26/97/17/358269717.db2.gz HKUAYPJDSRIKNK-UHFFFAOYSA-N 2 0 261.369 1.483 50 0 CDAARP CCc1[nH+]c(N)nc(N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c1C ZINC000101900942 358864594 /nfs/dbraw/zinc/86/45/94/358864594.db2.gz IZKHIWHQYRZMDV-IMRBUKKESA-N 2 0 289.427 1.706 50 0 CDAARP Cc1nc(CCN(C)CC(C)(C)C[NH+]2CCCC2)no1 ZINC000215900609 375652461 /nfs/dbraw/zinc/65/24/61/375652461.db2.gz YDVVYGPEKLCAPE-UHFFFAOYSA-N 2 0 280.416 1.974 50 0 CDAARP CC[NH+]1CCN(C(=[NH2+])Nc2nc(C)cc(C)n2)CC1 ZINC000004975232 170047636 /nfs/dbraw/zinc/04/76/36/170047636.db2.gz UZSKCQHPWZYKMC-UHFFFAOYSA-N 2 0 262.361 1.078 50 0 CDAARP CN1CC[N@H+](C)C[C@@H]1CC[NH+](C)Cc1ccccc1 ZINC000020638187 171268613 /nfs/dbraw/zinc/26/86/13/171268613.db2.gz YTMDVXWKDNFCLM-INIZCTEOSA-N 2 0 261.413 1.754 50 0 CDAARP C[NH2+]Cc1cn(C2CC[NH+]([C@H]3CCSC3)CC2)nn1 ZINC000020908758 171279202 /nfs/dbraw/zinc/27/92/02/171279202.db2.gz WUCGPZSQTXHKJS-ZDUSSCGKSA-N 2 0 281.429 1.140 50 0 CDAARP COc1ccc2[nH+]c(C)cc(N3CC[NH2+]CC3)c2c1 ZINC000032500243 274142780 /nfs/dbraw/zinc/14/27/80/274142780.db2.gz BPRCBDGMNYBZFX-UHFFFAOYSA-N 2 0 257.337 1.961 50 0 CDAARP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000263297155 295321540 /nfs/dbraw/zinc/32/15/40/295321540.db2.gz YIDUCLMCGDDUNA-MJBXVCDLSA-N 2 0 265.401 1.201 50 0 CDAARP CC(C)(CN1CCOCC1)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000032553362 1161074755 /nfs/dbraw/zinc/07/47/55/1161074755.db2.gz VTBFXLWMELDWQV-OAHLLOKOSA-N 2 0 283.460 1.406 50 0 CDAARP C[C@@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCC[NH2+]1 ZINC000188692039 525802712 /nfs/dbraw/zinc/80/27/12/525802712.db2.gz FSDOWXQIXHHTOR-INIZCTEOSA-N 2 0 273.380 1.438 50 0 CDAARP CC(=O)c1cc(C[NH2+]CCNc2cc[nH+]cc2C)n(C)c1 ZINC000952969567 614248607 /nfs/dbraw/zinc/24/86/07/614248607.db2.gz FKMLQELWUBVKFT-UHFFFAOYSA-N 2 0 286.379 1.555 50 0 CDAARP Cc1nnc([C@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)[nH]1 ZINC000952974968 730341151 /nfs/dbraw/zinc/34/11/51/730341151.db2.gz GGRDOWHNBNSWSB-NSHDSACASA-N 2 0 265.405 1.884 50 0 CDAARP OC[C@@H]1CCC[N@H+](CCCNCc2cnccc2Cl)C1 ZINC000952868538 910417820 /nfs/dbraw/zinc/41/78/20/910417820.db2.gz BQBJBSDVUAFBNU-CYBMUJFWSA-N 2 0 297.830 1.919 50 0 CDAARP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000952874273 910426996 /nfs/dbraw/zinc/42/69/96/910426996.db2.gz ZJHNSYDBLQIYPG-OAHLLOKOSA-N 2 0 281.444 1.853 50 0 CDAARP C[NH+](C)C[C@H]1COCCN(CC(C)(C)[NH+]2CCCCC2)C1 ZINC000823690207 925722317 /nfs/dbraw/zinc/72/23/17/925722317.db2.gz NRTYAZAUFRVVTN-MRXNPFEDSA-N 2 0 297.487 1.761 50 0 CDAARP c1ccc(N2CC[C@@H]([N@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)C2)cc1 ZINC001506411272 975154605 /nfs/dbraw/zinc/15/46/05/975154605.db2.gz PIDUZWHHSWHDRW-SFFUCWETSA-N 2 0 283.419 1.948 50 0 CDAARP COC(C)(C)C[C@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584887265 349345421 /nfs/dbraw/zinc/34/54/21/349345421.db2.gz PTKPKBHSCNLLBZ-AWEZNQCLSA-N 2 0 285.476 1.806 50 0 CDAARP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000019201091 356476135 /nfs/dbraw/zinc/47/61/35/356476135.db2.gz OIKPAHGRDVKVFV-ZDUSSCGKSA-N 2 0 253.777 1.587 50 0 CDAARP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000019201103 356476156 /nfs/dbraw/zinc/47/61/56/356476156.db2.gz JZPUIOYIIZGOSM-OAHLLOKOSA-N 2 0 263.385 1.333 50 0 CDAARP CC(C)=CC[N@@H+]1CCN(Cc2c[nH]c(C)n2)C[C@H]1CCO ZINC000039447290 356973433 /nfs/dbraw/zinc/97/34/33/356973433.db2.gz FKHXLCLVMVTHCZ-MRXNPFEDSA-N 2 0 292.427 1.553 50 0 CDAARP C[N@@H+]1CCC[C@@H]1CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000097436785 358776115 /nfs/dbraw/zinc/77/61/15/358776115.db2.gz MOJJJMKLLHDEFG-CQSZACIVSA-N 2 0 261.369 1.246 50 0 CDAARP Oc1cccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)c1 ZINC000215821296 358904930 /nfs/dbraw/zinc/90/49/30/358904930.db2.gz VQAPAJNYVGCDKY-UHFFFAOYSA-N 2 0 290.407 1.815 50 0 CDAARP Cc1nc(CC[NH2+]C[C@@]2(O)CCC[NH2+]C2)sc1C ZINC000072470227 360233047 /nfs/dbraw/zinc/23/30/47/360233047.db2.gz QNYLQNGJYMHZJY-CYBMUJFWSA-N 2 0 269.414 1.007 50 0 CDAARP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000248112964 360368389 /nfs/dbraw/zinc/36/83/89/360368389.db2.gz HTPMOOZFFMXGEA-HZPDHXFCSA-N 2 0 293.455 1.948 50 0 CDAARP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000426478134 360674014 /nfs/dbraw/zinc/67/40/14/360674014.db2.gz QYUQTLFBQBPDAO-GFCCVEGCSA-N 2 0 264.373 1.189 50 0 CDAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000037644198 369503941 /nfs/dbraw/zinc/50/39/41/369503941.db2.gz SMDDEGILIDQYQJ-ZDUSSCGKSA-N 2 0 285.391 1.960 50 0 CDAARP c1ccc2c(c1)N(CC[NH+]1CCCC1)C1=[NH+]CCN21 ZINC000020158880 171040150 /nfs/dbraw/zinc/04/01/50/171040150.db2.gz RQSRLGJYUYXTLM-UHFFFAOYSA-N 2 0 256.353 1.778 50 0 CDAARP C[C@@H](C[N@@H+]1CCc2ccccc2C1)Nc1nnc(CN)o1 ZINC001772709114 1159443108 /nfs/dbraw/zinc/44/31/08/1159443108.db2.gz HVDBAHCUGZUDFQ-NSHDSACASA-N 2 0 287.367 1.387 50 0 CDAARP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000183255855 732743877 /nfs/dbraw/zinc/74/38/77/732743877.db2.gz XLJYCUUQSMPEFW-ZDUSSCGKSA-N 2 0 263.341 1.105 50 0 CDAARP Cc1[nH+]c(N(C)C)nc(NCC[N@@H+]2CCC[C@@H](O)C2)c1C ZINC000032593201 733036252 /nfs/dbraw/zinc/03/62/52/733036252.db2.gz LPDWKQNCMXNUQY-CYBMUJFWSA-N 2 0 293.415 1.028 50 0 CDAARP COCC[N@@H+]1CC[C@H](C[NH2+]C2CSCCSC2)C1 ZINC000824412470 925820296 /nfs/dbraw/zinc/82/02/96/925820296.db2.gz WEWGTKZMKDEOKA-GFCCVEGCSA-N 2 0 290.498 1.393 50 0 CDAARP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000106635629 186130513 /nfs/dbraw/zinc/13/05/13/186130513.db2.gz ITFFBABVSSASEZ-AWEZNQCLSA-N 2 0 290.411 1.303 50 0 CDAARP COCC[NH+]1CCC(C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000019735509 356497874 /nfs/dbraw/zinc/49/78/74/356497874.db2.gz YVGXBFMCKWLPCN-AWEZNQCLSA-N 2 0 256.390 1.113 50 0 CDAARP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738947 283322107 /nfs/dbraw/zinc/32/21/07/283322107.db2.gz ISYQZVAYSSWJKE-OLZOCXBDSA-N 2 0 253.390 1.058 50 0 CDAARP CSc1ncc(C[N@H+](C)CCCc2nccn2C)cn1 ZINC000216405279 358944142 /nfs/dbraw/zinc/94/41/42/358944142.db2.gz QYYDICONCZJZMU-UHFFFAOYSA-N 2 0 291.424 1.997 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000262670354 359278591 /nfs/dbraw/zinc/27/85/91/359278591.db2.gz NLRHAMHFAWGMPF-SYQHCUMBSA-N 2 0 267.417 1.303 50 0 CDAARP c1ccc(N2CC[NH+](CCN3CCC[NH2+]CC3)CC2)cc1 ZINC000061274923 359842425 /nfs/dbraw/zinc/84/24/25/359842425.db2.gz PDPVCGSSRILEPW-UHFFFAOYSA-N 2 0 288.439 1.104 50 0 CDAARP COC[C@H]1CN(CCCc2cnccc2C)CCO1 ZINC000377544274 371573019 /nfs/dbraw/zinc/57/30/19/371573019.db2.gz UIYOOSJMPPMMAD-OAHLLOKOSA-N 2 0 264.369 1.670 50 0 CDAARP OC1(C[NH+]2CCCC2)CCC2(CC[NH2+]CC2)CC1 ZINC000257189226 190009718 /nfs/dbraw/zinc/00/97/18/190009718.db2.gz HUKQLTUESZZBDH-UHFFFAOYSA-N 2 0 252.402 1.757 50 0 CDAARP O[C@@H](C[NH2+]CCC[NH+]1CCCCC1)COc1ccccc1 ZINC000001832402 376108391 /nfs/dbraw/zinc/10/83/91/376108391.db2.gz HMAWRSOHTHQKFV-INIZCTEOSA-N 2 0 292.423 1.892 50 0 CDAARP CC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000251265468 392558464 /nfs/dbraw/zinc/55/84/64/392558464.db2.gz OFXRXVXZBXEYJF-KCQAQPDRSA-N 2 0 265.401 1.262 50 0 CDAARP CC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000096499748 393187991 /nfs/dbraw/zinc/18/79/91/393187991.db2.gz FPYGLYJUZHQGFG-VFSICIBPSA-N 2 0 281.444 1.000 50 0 CDAARP C[NH2+]CC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071763551 176261677 /nfs/dbraw/zinc/26/16/77/176261677.db2.gz WGMQZGHFNTZMBX-KBAYOESNSA-N 2 0 299.418 1.295 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cnn(CC[NH+](C)C)c1 ZINC000097037678 288103142 /nfs/dbraw/zinc/10/31/42/288103142.db2.gz QSJBCARSVWVSQO-VNHYZAJKSA-N 2 0 279.432 1.585 50 0 CDAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000263233621 290391322 /nfs/dbraw/zinc/39/13/22/290391322.db2.gz CWUPRYNTXJDKPD-QWHCGFSZSA-N 2 0 253.390 1.058 50 0 CDAARP [NH3+]C[C@@H]1CC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209906 577035894 /nfs/dbraw/zinc/03/58/94/577035894.db2.gz GPSDDLHWXJHUCF-LNFKQOIKSA-N 2 0 265.323 1.244 50 0 CDAARP Cc1cc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)nc(N)[nH+]1 ZINC000091645717 180214678 /nfs/dbraw/zinc/21/46/78/180214678.db2.gz LHISOBJQTQENMF-ZIAGYGMSSA-N 2 0 287.411 1.678 50 0 CDAARP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396854 357116084 /nfs/dbraw/zinc/11/60/84/357116084.db2.gz FDKWJESCJJZBQU-KGLIPLIRSA-N 2 0 298.452 1.509 50 0 CDAARP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000262661896 357541267 /nfs/dbraw/zinc/54/12/67/357541267.db2.gz GLOAGJCUJXZTHD-JHJVBQTASA-N 2 0 253.390 1.070 50 0 CDAARP C[NH+](C)CC[C@@H]1CCCCN1Cc1cccnc1N ZINC000072462515 357837297 /nfs/dbraw/zinc/83/72/97/357837297.db2.gz FUYXUUSJJDUCMK-AWEZNQCLSA-N 2 0 262.401 1.970 50 0 CDAARP [NH3+]Cc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000037826978 359454398 /nfs/dbraw/zinc/45/43/98/359454398.db2.gz HQVMTZUPACFWJL-UHFFFAOYSA-N 2 0 259.353 1.066 50 0 CDAARP C[NH+](C)CCOc1ccccc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000216217497 189701815 /nfs/dbraw/zinc/70/18/15/189701815.db2.gz GKYWAVOLOSJJEC-MRXNPFEDSA-N 2 0 291.439 1.763 50 0 CDAARP OC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000299794240 372766291 /nfs/dbraw/zinc/76/62/91/372766291.db2.gz ILSKTMRCKGRMDU-UHFFFAOYSA-N 2 0 262.353 1.125 50 0 CDAARP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763894 373788069 /nfs/dbraw/zinc/78/80/69/373788069.db2.gz YQIDEMBTRCSHNZ-HNNXBMFYSA-N 2 0 290.411 1.826 50 0 CDAARP O[C@H](C[NH2+]CCC[NH+]1CCCCC1)COc1ccccc1 ZINC000001832401 376109355 /nfs/dbraw/zinc/10/93/55/376109355.db2.gz HMAWRSOHTHQKFV-MRXNPFEDSA-N 2 0 292.423 1.892 50 0 CDAARP CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC000096432439 390519898 /nfs/dbraw/zinc/51/98/98/390519898.db2.gz CGNDGKDKDDMTFE-CYBMUJFWSA-N 2 0 255.406 1.127 50 0 CDAARP Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000215518339 390994306 /nfs/dbraw/zinc/99/43/06/390994306.db2.gz ZBXKHXVQOIUOEB-HNNXBMFYSA-N 2 0 275.396 1.857 50 0 CDAARP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000142684034 277187904 /nfs/dbraw/zinc/18/79/04/277187904.db2.gz URRCSHBKELVFHP-UHFFFAOYSA-N 2 0 283.416 1.809 50 0 CDAARP CC(C)=CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000952984819 614288619 /nfs/dbraw/zinc/28/86/19/614288619.db2.gz SLOUGMBKPFLYMZ-UHFFFAOYSA-N 2 0 293.455 1.877 50 0 CDAARP CC(C)([NH3+])c1nnc(N2CC[NH+](C3CCCCC3)CC2)o1 ZINC001772702822 1159437472 /nfs/dbraw/zinc/43/74/72/1159437472.db2.gz DOKYXHXDJUPYSV-UHFFFAOYSA-N 2 0 293.415 1.718 50 0 CDAARP CC[C@H]1CN(c2nnc(C(C)(C)[NH3+])o2)CC[N@@H+]1C(C)C ZINC001772707145 1159441603 /nfs/dbraw/zinc/44/16/03/1159441603.db2.gz WLDXUYWVEUCIPL-NSHDSACASA-N 2 0 281.404 1.572 50 0 CDAARP CCC[C@H]1CN(CCCn2nc(C)cc2C)C[C@@H]1[NH3+] ZINC000091645037 736447604 /nfs/dbraw/zinc/44/76/04/736447604.db2.gz WNYDYGPZXAOYCK-GJZGRUSLSA-N 2 0 264.417 1.949 50 0 CDAARP C[NH+]1CCC(N2CCC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000032565507 739027939 /nfs/dbraw/zinc/02/79/39/739027939.db2.gz PZGWUEYTZIGAMX-HNNXBMFYSA-N 2 0 265.445 1.888 50 0 CDAARP Cn1cc[n+](C[C@@H]2CCCC[C@@H]2C[n+]2ccn(C)c2)c1 ZINC000825636158 925874717 /nfs/dbraw/zinc/87/47/17/925874717.db2.gz ISCBWZIRJSLAJH-IYBDPMFKSA-N 2 0 274.412 1.445 50 0 CDAARP C[C@@H](C[N@H+](C)CCO)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428258 975162035 /nfs/dbraw/zinc/16/20/35/975162035.db2.gz YOUWQRQYCJJPOD-LBPRGKRZSA-N 2 0 271.449 1.198 50 0 CDAARP C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000178981983 362251103 /nfs/dbraw/zinc/25/11/03/362251103.db2.gz SRFIGAGRVJOMOK-AWEZNQCLSA-N 2 0 275.396 1.430 50 0 CDAARP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000584900415 349362331 /nfs/dbraw/zinc/36/23/31/349362331.db2.gz YHTZMZOMHBMLPC-OAHLLOKOSA-N 2 0 289.423 1.312 50 0 CDAARP COc1ccc([C@H](C[NH3+])N2CCCC2)cc1OC ZINC000032495126 356780757 /nfs/dbraw/zinc/78/07/57/356780757.db2.gz WQYZFTUTVPPVGV-LBPRGKRZSA-N 2 0 250.342 1.799 50 0 CDAARP Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc(N)[nH+]1 ZINC000052407588 357271467 /nfs/dbraw/zinc/27/14/67/357271467.db2.gz PKPOVXNDOMABFS-UHFFFAOYSA-N 2 0 298.394 1.839 50 0 CDAARP C[NH+](C)CCc1noc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000134766288 363596046 /nfs/dbraw/zinc/59/60/46/363596046.db2.gz RWSTWKIDDFVBEH-LBPRGKRZSA-N 2 0 260.341 1.416 50 0 CDAARP c1cn(CCC[NH2+][C@H]2CCOC3(CCOCC3)C2)cn1 ZINC000082137763 358148902 /nfs/dbraw/zinc/14/89/02/358148902.db2.gz GTAZQRIVXMZHSW-AWEZNQCLSA-N 2 0 279.384 1.591 50 0 CDAARP c1ccc(CC[NH+]2CCC(N3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000426404429 360664743 /nfs/dbraw/zinc/66/47/43/360664743.db2.gz ZJNVXKXWIQPANJ-PKOBYXMFSA-N 2 0 299.462 1.987 50 0 CDAARP CN(C)[C@H]1CCCC[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000244872995 361056065 /nfs/dbraw/zinc/05/60/65/361056065.db2.gz WIDKYNYXIGBYFB-ZNMIVQPWSA-N 2 0 253.434 1.920 50 0 CDAARP C(C1CC[NH+]([C@@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC000674301067 482995081 /nfs/dbraw/zinc/99/50/81/482995081.db2.gz MAYFJTPYARESIM-OAHLLOKOSA-N 2 0 252.402 1.973 50 0 CDAARP c1cc(OC[C@@H]2CCC[NH2+]C2)ccc1CN1CCOCC1 ZINC000299777233 372755381 /nfs/dbraw/zinc/75/53/81/372755381.db2.gz BKSSCABHNAATLV-MRXNPFEDSA-N 2 0 290.407 1.897 50 0 CDAARP C[C@H](C[N@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1)N1CCOCC1 ZINC000244887822 377798759 /nfs/dbraw/zinc/79/87/59/377798759.db2.gz YPDCGROXAXZILZ-KFWWJZLASA-N 2 0 269.433 1.156 50 0 CDAARP CC[C@@]1(CO)CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192841599 392228881 /nfs/dbraw/zinc/22/88/81/392228881.db2.gz GVTFDKSWWCDIFQ-KRWDZBQOSA-N 2 0 297.487 1.639 50 0 CDAARP C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000262691703 149097879 /nfs/dbraw/zinc/09/78/79/149097879.db2.gz AOWSAMLAZCKPTC-KGLIPLIRSA-N 2 0 275.396 1.457 50 0 CDAARP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262775059 298970469 /nfs/dbraw/zinc/97/04/69/298970469.db2.gz VXQUUKATLHUGSA-RVMXOQNASA-N 2 0 253.390 1.232 50 0 CDAARP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484357 534389303 /nfs/dbraw/zinc/38/93/03/534389303.db2.gz CTUMWRFFXBTOBG-GVDBMIGSSA-N 2 0 274.408 1.979 50 0 CDAARP [NH3+]Cc1cc(C(=O)NCC[NH2+]C2CCCCCC2)co1 ZINC000187181344 527245206 /nfs/dbraw/zinc/24/52/06/527245206.db2.gz CFWTZFPFLFJHBG-UHFFFAOYSA-N 2 0 279.384 1.781 50 0 CDAARP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC000095967158 185046279 /nfs/dbraw/zinc/04/62/79/185046279.db2.gz NPDZWCSZJGERSL-ZIAGYGMSSA-N 2 0 267.417 1.319 50 0 CDAARP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000685939633 539045741 /nfs/dbraw/zinc/04/57/41/539045741.db2.gz VZBYTCIFFDEURJ-XHSDSOJGSA-N 2 0 293.455 1.659 50 0 CDAARP CCNC(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000065396078 363031551 /nfs/dbraw/zinc/03/15/51/363031551.db2.gz CBBZVNKROACHTG-UHFFFAOYSA-N 2 0 296.459 1.643 50 0 CDAARP C[N@H+](CCOc1cccc(C[NH3+])c1)C1CCOCC1 ZINC000036320525 356870441 /nfs/dbraw/zinc/87/04/41/356870441.db2.gz ZEQBVRQJFANGJA-UHFFFAOYSA-N 2 0 264.369 1.635 50 0 CDAARP [NH3+]Cc1ccnc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000035719727 356845886 /nfs/dbraw/zinc/84/58/86/356845886.db2.gz STWKYTZUOSLFOU-UHFFFAOYSA-N 2 0 282.391 1.863 50 0 CDAARP Cc1nn(C)cc1C[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000097301257 358765892 /nfs/dbraw/zinc/76/58/92/358765892.db2.gz MIQHNFILBGXARF-UHFFFAOYSA-N 2 0 292.427 1.151 50 0 CDAARP CCN1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257189011 359529630 /nfs/dbraw/zinc/52/96/30/359529630.db2.gz HCDSPCDHEQCHQC-CYBMUJFWSA-N 2 0 294.399 1.219 50 0 CDAARP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000299740135 375201177 /nfs/dbraw/zinc/20/11/77/375201177.db2.gz WEEYJRVVIVIRKZ-DZGCQCFKSA-N 2 0 275.396 1.487 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](C)C1 ZINC000261940557 285393957 /nfs/dbraw/zinc/39/39/57/285393957.db2.gz NDOWNQCNCHVZFE-ZNMIVQPWSA-N 2 0 293.455 1.565 50 0 CDAARP Cc1cn2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)ccc2n1 ZINC000082108866 390838200 /nfs/dbraw/zinc/83/82/00/390838200.db2.gz OKOVLFYGAGJTLF-ZDUSSCGKSA-N 2 0 272.352 1.419 50 0 CDAARP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262676483 279174526 /nfs/dbraw/zinc/17/45/26/279174526.db2.gz SKTDUHDYOZTILC-AGIUHOORSA-N 2 0 255.406 1.301 50 0 CDAARP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000092629550 279299599 /nfs/dbraw/zinc/29/95/99/279299599.db2.gz GPAZVHSRZKTBAT-HZSPNIEDSA-N 2 0 267.417 1.447 50 0 CDAARP Cc1cccc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)n1 ZINC000534634247 328333218 /nfs/dbraw/zinc/33/32/18/328333218.db2.gz XAOYXSUCNPMCNK-GEEKYZPCSA-N 2 0 257.381 1.615 50 0 CDAARP CC[C@@H](C(=O)NCC[NH+]1CCCCC1)[N@H+](C)CC ZINC000822555076 1161928792 /nfs/dbraw/zinc/92/87/92/1161928792.db2.gz JIBHGDVYFVSPNW-ZDUSSCGKSA-N 2 0 255.406 1.319 50 0 CDAARP C/C=C(\C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000820390619 925521723 /nfs/dbraw/zinc/52/17/23/925521723.db2.gz SEUYDHDGYNLQKG-RNSFGAQFSA-N 2 0 293.455 1.877 50 0 CDAARP Cc1nncn1CC[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000825297064 925863270 /nfs/dbraw/zinc/86/32/70/925863270.db2.gz PUMXMVMAVWQLJU-UHFFFAOYSA-N 2 0 277.416 1.442 50 0 CDAARP Fc1ccc(N2CC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000415135183 363778798 /nfs/dbraw/zinc/77/87/98/363778798.db2.gz FPUXLOHVCKYBHO-HNNXBMFYSA-N 2 0 277.387 1.994 50 0 CDAARP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000107515536 412800407 /nfs/dbraw/zinc/80/04/07/412800407.db2.gz GDILOLXJPWOZLM-FRRDWIJNSA-N 2 0 291.361 1.839 50 0 CDAARP COc1ccccc1COC[C@@H](O)C[NH2+]CCC[NH+](C)C ZINC000003418296 375031590 /nfs/dbraw/zinc/03/15/90/375031590.db2.gz WZPNBRVUKJBSTB-HNNXBMFYSA-N 2 0 296.411 1.114 50 0 CDAARP NC(=[NH2+])NC(=[NH2+])Nc1ccc(Br)cc1 ZINC000005785454 170140461 /nfs/dbraw/zinc/14/04/61/170140461.db2.gz GVZIHTVADXTMQR-UHFFFAOYSA-N 2 0 256.107 1.279 50 0 CDAARP O[C@@]1(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000072407986 176397690 /nfs/dbraw/zinc/39/76/90/176397690.db2.gz SSBRBXOPDPGDLY-INIZCTEOSA-N 2 0 293.386 1.062 50 0 CDAARP CCC[NH+]1CCC([NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000370663757 276004752 /nfs/dbraw/zinc/00/47/52/276004752.db2.gz YEGARTBOAYUKGM-AWEZNQCLSA-N 2 0 262.401 1.731 50 0 CDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000106781145 290085075 /nfs/dbraw/zinc/08/50/75/290085075.db2.gz CIABAOWNNOOJIL-GOEBONIOSA-N 2 0 284.444 1.580 50 0 CDAARP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000299739472 295303577 /nfs/dbraw/zinc/30/35/77/295303577.db2.gz OVXVWAGOCZSVQZ-KFWWJZLASA-N 2 0 279.428 1.591 50 0 CDAARP c1c[nH]c(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)n1 ZINC000534661972 328350011 /nfs/dbraw/zinc/35/00/11/328350011.db2.gz YNYZRROTCPGNSH-UHFFFAOYSA-N 2 0 262.401 1.949 50 0 CDAARP CC(C)[NH+](CCNc1nnc(C(C)(C)[NH3+])o1)C(C)C ZINC001772706774 1159441720 /nfs/dbraw/zinc/44/17/20/1159441720.db2.gz PNTADJGLQXEXFP-UHFFFAOYSA-N 2 0 269.393 1.794 50 0 CDAARP OC[C@H]1C[NH2+]CCC12CCN(CC[NH+]1CCCCC1)CC2 ZINC000219619447 930891726 /nfs/dbraw/zinc/89/17/26/930891726.db2.gz AUNTZKKTQKNTNN-MRXNPFEDSA-N 2 0 295.471 1.156 50 0 CDAARP C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000089900975 179879615 /nfs/dbraw/zinc/87/96/15/179879615.db2.gz RLNHVMIYFVIJAV-RYUDHWBXSA-N 2 0 282.432 1.251 50 0 CDAARP Cc1cc(N[C@@H](C)C2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000065372363 357531762 /nfs/dbraw/zinc/53/17/62/357531762.db2.gz ZMTPFEINAPWHHW-LBPRGKRZSA-N 2 0 277.416 1.993 50 0 CDAARP C[N@@H+]1CCC[C@@H](CCNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067758926 357625205 /nfs/dbraw/zinc/62/52/05/357625205.db2.gz XCSBUFVTWQSZMT-AWEZNQCLSA-N 2 0 265.401 1.144 50 0 CDAARP C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000521398773 359970200 /nfs/dbraw/zinc/97/02/00/359970200.db2.gz WHKCAGZAXLOIJQ-QNWHQSFQSA-N 2 0 253.390 1.151 50 0 CDAARP C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000521398775 256847358 /nfs/dbraw/zinc/84/73/58/256847358.db2.gz WHKCAGZAXLOIJQ-UMSGYPCISA-N 2 0 253.390 1.151 50 0 CDAARP CC(C)[NH+](CCCNC1=[NH+]CCCCN1)C(C)C ZINC000521396916 326829839 /nfs/dbraw/zinc/82/98/39/326829839.db2.gz FECHETDBELDLMX-UHFFFAOYSA-N 2 0 254.422 1.824 50 0 CDAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH2+]C)n1C ZINC000426433517 754916676 /nfs/dbraw/zinc/91/66/76/754916676.db2.gz BKROXLOGJPUOPN-SNVBAGLBSA-N 2 0 269.418 1.111 50 0 CDAARP CCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000253369940 342416058 /nfs/dbraw/zinc/41/60/58/342416058.db2.gz KGWHZXJYGUFUSF-TZMCWYRMSA-N 2 0 267.417 1.589 50 0 CDAARP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000299739485 356270494 /nfs/dbraw/zinc/27/04/94/356270494.db2.gz OXUJBQKWCJCSCJ-ZNMIVQPWSA-N 2 0 279.428 1.591 50 0 CDAARP [NH3+][C@H]1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067754346 357624710 /nfs/dbraw/zinc/62/47/10/357624710.db2.gz DSZJFNGJOOZYSH-ZDUSSCGKSA-N 2 0 295.390 1.327 50 0 CDAARP COCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000108490380 412830508 /nfs/dbraw/zinc/83/05/08/412830508.db2.gz YPNWMTLDJLDHDB-BARDWOONSA-N 2 0 282.428 1.358 50 0 CDAARP CN(C)c1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067691270 377209319 /nfs/dbraw/zinc/20/93/19/377209319.db2.gz XXULEIVFTNXKEW-UHFFFAOYSA-N 2 0 275.400 1.118 50 0 CDAARP COC(=O)CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000096407719 256791040 /nfs/dbraw/zinc/79/10/40/256791040.db2.gz KTGBVHFOZQHCLZ-UHFFFAOYSA-N 2 0 298.427 1.374 50 0 CDAARP C[NH+]1CCN(CCC[NH2+]Cc2cccs2)CC1 ZINC000020128353 171014309 /nfs/dbraw/zinc/01/43/09/171014309.db2.gz GCLJXQCIRDXXRK-UHFFFAOYSA-N 2 0 253.415 1.475 50 0 CDAARP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CC[NH2+]C[C@H]1O ZINC000072152334 176327383 /nfs/dbraw/zinc/32/73/83/176327383.db2.gz DRGCIDMDCVBBQC-FKZVYCBESA-N 2 0 260.381 1.650 50 0 CDAARP C[C@@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092409574 278290554 /nfs/dbraw/zinc/29/05/54/278290554.db2.gz GRGOZLZDMVMLBM-LBPRGKRZSA-N 2 0 297.830 1.562 50 0 CDAARP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](O)C2)c(C)c1 ZINC000952962111 617257499 /nfs/dbraw/zinc/25/74/99/617257499.db2.gz AWQFQOPJCHOAMM-MRXNPFEDSA-N 2 0 292.423 1.940 50 0 CDAARP C[C@H]([NH2+]Cc1cc(C[NH+]2CCCC2)cs1)C(N)=O ZINC000032587021 773690360 /nfs/dbraw/zinc/69/03/60/773690360.db2.gz HGGPGEZCXDPGKK-JTQLQIEISA-N 2 0 267.398 1.307 50 0 CDAARP COCC1(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000824346822 925816585 /nfs/dbraw/zinc/81/65/85/925816585.db2.gz FTTZYLCBQPZRRG-AWEZNQCLSA-N 2 0 269.433 1.029 50 0 CDAARP Clc1cnn(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000244641205 361855048 /nfs/dbraw/zinc/85/50/48/361855048.db2.gz GLHZSMPUJSSRQE-UHFFFAOYSA-N 2 0 268.792 1.612 50 0 CDAARP Cc1cc(NCCCCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000091998029 180303023 /nfs/dbraw/zinc/30/30/23/180303023.db2.gz WLHBAPBEHFTIBX-UHFFFAOYSA-N 2 0 279.388 1.282 50 0 CDAARP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000002149680 355961536 /nfs/dbraw/zinc/96/15/36/355961536.db2.gz DICSXQHGGOAUNU-AWEZNQCLSA-N 2 0 299.378 1.369 50 0 in-vitro CDAARP CCc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000065407891 357538707 /nfs/dbraw/zinc/53/87/07/357538707.db2.gz GWIRDNCBSIEZAJ-GFCCVEGCSA-N 2 0 277.416 1.493 50 0 CDAARP CC(C)[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000036170483 361195391 /nfs/dbraw/zinc/19/53/91/361195391.db2.gz GXZZHKPDEQGLFD-UHFFFAOYSA-N 2 0 261.369 1.312 50 0 CDAARP [NH3+][C@H]1CC[C@@H](C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)CC1 ZINC000243956907 376023309 /nfs/dbraw/zinc/02/33/09/376023309.db2.gz CEEVURJFAASDIG-FZNQNYSPSA-N 2 0 293.455 1.838 50 0 CDAARP CCC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC000005092879 170065672 /nfs/dbraw/zinc/06/56/72/170065672.db2.gz PJUYWYUULMVDCC-UHFFFAOYSA-N 2 0 253.390 1.058 50 0 CDAARP CCOC(=O)N1CCC(C[NH+]2CCC([NH3+])CC2)CC1 ZINC000040457340 174267830 /nfs/dbraw/zinc/26/78/30/174267830.db2.gz SJJVZMIQMLTKEA-UHFFFAOYSA-N 2 0 269.389 1.278 50 0 CDAARP Cn1ccnc1CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000670459548 483040958 /nfs/dbraw/zinc/04/09/58/483040958.db2.gz MYCAPIZWBKORPG-UHFFFAOYSA-N 2 0 259.357 1.565 50 0 CDAARP CC1(C)CC([N@@H+]2C[C@@H]3COCC[C@]3(CO)C2)CC(C)(C)[NH2+]1 ZINC001772711023 1159445468 /nfs/dbraw/zinc/44/54/68/1159445468.db2.gz VGNQCGUVYJFKDI-CXAGYDPISA-N 2 0 296.455 1.626 50 0 CDAARP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000642882987 936300263 /nfs/dbraw/zinc/30/02/63/936300263.db2.gz FXRNKKSCMVBHNY-OKILXGFUSA-N 2 0 295.427 1.822 50 0 CDAARP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091545355 180186551 /nfs/dbraw/zinc/18/65/51/180186551.db2.gz CGOYEHCGEWDXTK-QWHCGFSZSA-N 2 0 261.369 1.814 50 0 CDAARP COC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000106853295 186143077 /nfs/dbraw/zinc/14/30/77/186143077.db2.gz MONGLGSQUFTSFX-HRCADAONSA-N 2 0 284.444 1.580 50 0 CDAARP CC(C)[N@@H+](CC(=O)N1CCN(C)CC1)C[C@H]1C[C@H]1C ZINC000093193981 351321157 /nfs/dbraw/zinc/32/11/57/351321157.db2.gz MFJCFWOMZNGVGY-ZIAGYGMSSA-N 2 0 267.417 1.127 50 0 CDAARP CC(C)[NH2+]CCN(CC[NH2+]C(C)C)CC[NH2+]C(C)C ZINC000025721139 356681563 /nfs/dbraw/zinc/68/15/63/356681563.db2.gz XUIXOJXQJNMJGQ-UHFFFAOYSA-N 3 0 272.481 1.282 50 0 CDAARP Cc1nc(CCC[NH2+]C[C@]2(O)CCC[NH2+]C2)sc1C ZINC000072436465 357835725 /nfs/dbraw/zinc/83/57/25/357835725.db2.gz MKZIBZJERMKLQW-CQSZACIVSA-N 2 0 283.441 1.397 50 0 CDAARP C[C@H](CCNC(=O)C[NH+]1CCCC1)n1ccnc1 ZINC000219028574 359076268 /nfs/dbraw/zinc/07/62/68/359076268.db2.gz HJKDRTWMLSRITO-GFCCVEGCSA-N 2 0 250.346 1.046 50 0 CDAARP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1(C)C ZINC000097034517 286394877 /nfs/dbraw/zinc/39/48/77/286394877.db2.gz JSGVNUHOHKQLKE-SOUVJXGZSA-N 2 0 283.460 1.416 50 0 CDAARP CCC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2OCC)CC1 ZINC000823350066 925687973 /nfs/dbraw/zinc/68/79/73/925687973.db2.gz DKVVDECIPPZTPT-GJZGRUSLSA-N 2 0 269.433 1.170 50 0 CDAARP CC(=O)NCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200741 358188396 /nfs/dbraw/zinc/18/83/96/358188396.db2.gz YZSQZTHVIIWSEE-CQSZACIVSA-N 2 0 276.384 1.342 50 0 CDAARP COC(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000095407046 374909736 /nfs/dbraw/zinc/90/97/36/374909736.db2.gz FLEWKRIGGQWQCV-UHFFFAOYSA-N 2 0 283.416 1.680 50 0 CDAARP C[C@@H]1CC(C)(C)[NH2+]CCN[C@@H](C)CC(C)(C)[NH2+]CCN1 ZINC000022938877 287220018 /nfs/dbraw/zinc/22/00/18/287220018.db2.gz XHCNINMOALIGKM-OKILXGFUSA-N 2 0 284.492 1.473 50 0 CDAARP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000375749177 276201366 /nfs/dbraw/zinc/20/13/66/276201366.db2.gz MTRDMPWNQROHFW-GJZGRUSLSA-N 2 0 283.485 1.451 50 0 CDAARP CNc1nc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000534582579 328312658 /nfs/dbraw/zinc/31/26/58/328312658.db2.gz HAALROBEUUJQBS-OAHLLOKOSA-N 2 0 299.422 1.694 50 0 CDAARP CC1(C)CC(O)([C@H]([NH3+])c2ccns2)CC(C)(C)[NH2+]1 ZINC000958528907 901872528 /nfs/dbraw/zinc/87/25/28/901872528.db2.gz YHXINRJJDLNUTJ-SNVBAGLBSA-N 2 0 269.414 1.815 50 0 CDAARP OCc1c[nH+]ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000585132912 931028642 /nfs/dbraw/zinc/02/86/42/931028642.db2.gz GNIRVPSIGISXDI-CQSZACIVSA-N 2 0 291.395 1.123 50 0 CDAARP COCCC[N@@H+]1CC[C@@H](CNc2ccncc2F)C1 ZINC001529089681 968979667 /nfs/dbraw/zinc/97/96/67/968979667.db2.gz WLCHZXLFJLCZHW-LBPRGKRZSA-N 2 0 267.348 1.413 50 0 CDAARP Cn1ccnc1CCN1CC[NH+](CC2CCC2)CC1 ZINC001506420859 975158372 /nfs/dbraw/zinc/15/83/72/975158372.db2.gz BZJPMQUIABSQPJ-UHFFFAOYSA-N 2 0 262.401 1.380 50 0 CDAARP CCNC(=O)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065542370 361914381 /nfs/dbraw/zinc/91/43/81/361914381.db2.gz BZVMTIHHIKSTAA-CYBMUJFWSA-N 2 0 276.384 1.342 50 0 CDAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000263263676 362039469 /nfs/dbraw/zinc/03/94/69/362039469.db2.gz NABVAZOHCMCGMX-UONOGXRCSA-N 2 0 281.444 1.837 50 0 CDAARP [NH3+]C1CCN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000114836768 350861713 /nfs/dbraw/zinc/86/17/13/350861713.db2.gz FYVPTKUQGAZWIY-HIFRSBDPSA-N 2 0 251.418 1.674 50 0 CDAARP CC(C)c1ccc(CNCC[NH2+]C[C@H](C)O)cc1 ZINC000019990554 356520782 /nfs/dbraw/zinc/52/07/82/356520782.db2.gz YQAZCKAREPWUCF-ZDUSSCGKSA-N 2 0 250.386 1.870 50 0 CDAARP C[NH+](C)C[C@]1(O)CCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000072432469 357834604 /nfs/dbraw/zinc/83/46/04/357834604.db2.gz BANFVMMRQSBSPV-MRXNPFEDSA-N 2 0 273.380 1.666 50 0 CDAARP CCOc1ccc(CC[NH2+]C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072474898 357838235 /nfs/dbraw/zinc/83/82/35/357838235.db2.gz UIXKSFWGERSJRP-INIZCTEOSA-N 2 0 278.396 1.332 50 0 CDAARP CCn1cc(CN(C)C[C@@H]2CC[N@H+](CCOC)C2)cn1 ZINC000097532338 358782582 /nfs/dbraw/zinc/78/25/82/358782582.db2.gz ADKAZLIEYUEZAJ-AWEZNQCLSA-N 2 0 280.416 1.303 50 0 CDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000248125751 360384972 /nfs/dbraw/zinc/38/49/72/360384972.db2.gz LSBHLELVMUMETR-BZUAXINKSA-N 2 0 293.455 1.946 50 0 CDAARP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000370663758 370119159 /nfs/dbraw/zinc/11/91/59/370119159.db2.gz YEGARTBOAYUKGM-CQSZACIVSA-N 2 0 262.401 1.731 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000095371567 390910946 /nfs/dbraw/zinc/91/09/46/390910946.db2.gz LMZXWCRLKQDDDZ-HNNXBMFYSA-N 2 0 290.411 1.793 50 0 CDAARP Cc1cc(N2CCCN(C[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000248129704 391917658 /nfs/dbraw/zinc/91/76/58/391917658.db2.gz YBNKCFAOPSASNT-HNNXBMFYSA-N 3 0 274.412 1.512 50 0 CDAARP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262775050 298970211 /nfs/dbraw/zinc/97/02/11/298970211.db2.gz VXQUUKATLHUGSA-RNJOBUHISA-N 2 0 253.390 1.232 50 0 CDAARP C[C@](O)(C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000388826462 936644180 /nfs/dbraw/zinc/64/41/80/936644180.db2.gz WSQJXXIDWYWYTM-UKMLZYKCSA-N 2 0 260.381 1.563 50 0 CDAARP C[C@@H]1CC[C@H](CO)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000097103392 342192078 /nfs/dbraw/zinc/19/20/78/342192078.db2.gz ZOCTYLFWRJDOBT-CABCVRRESA-N 2 0 254.418 1.955 50 0 CDAARP Nc1nc(NCc2[nH]nc3c2CCC3)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000252527844 362392168 /nfs/dbraw/zinc/39/21/68/362392168.db2.gz DMHAPOQOXFOWTH-DTORHVGOSA-N 2 0 299.382 1.087 50 0 CDAARP CSc1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013732713 356355403 /nfs/dbraw/zinc/35/54/03/356355403.db2.gz DDAYAQAZLIYYHB-UHFFFAOYSA-N 2 0 254.399 1.470 50 0 CDAARP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558363 356782744 /nfs/dbraw/zinc/78/27/44/356782744.db2.gz IRLTZKCWYYDQOV-INIZCTEOSA-N 2 0 297.487 1.618 50 0 CDAARP CCSC[C@H]([NH3+])C(=O)N1CC[N@H+](CC)C(C)(C)C1 ZINC000067787949 357627733 /nfs/dbraw/zinc/62/77/33/357627733.db2.gz KJJZTJMJCXZDGX-NSHDSACASA-N 2 0 273.446 1.010 50 0 CDAARP C[N@H+](CCCO)C1CCN(Cc2ccccc2)CC1 ZINC000068591637 357651468 /nfs/dbraw/zinc/65/14/68/357651468.db2.gz GWZXADJLASFFLZ-UHFFFAOYSA-N 2 0 262.397 1.965 50 0 CDAARP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000299738596 357700922 /nfs/dbraw/zinc/70/09/22/357700922.db2.gz CPSSXBMUORADFB-HRCADAONSA-N 2 0 293.455 1.981 50 0 CDAARP Cc1nc(CCC[NH2+]C[C@@]2(O)CCC[NH2+]C2)sc1C ZINC000072436467 357835861 /nfs/dbraw/zinc/83/58/61/357835861.db2.gz MKZIBZJERMKLQW-AWEZNQCLSA-N 2 0 283.441 1.397 50 0 CDAARP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000079062057 358058850 /nfs/dbraw/zinc/05/88/50/358058850.db2.gz AHAQZBVUGZUUMB-UHFFFAOYSA-N 2 0 283.416 1.809 50 0 CDAARP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000408523357 359930613 /nfs/dbraw/zinc/93/06/13/359930613.db2.gz RGTXIGOLOJSJPJ-UONOGXRCSA-N 2 0 267.417 1.319 50 0 CDAARP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000240471632 376017533 /nfs/dbraw/zinc/01/75/33/376017533.db2.gz GDILOLXJPWOZLM-AVGNSLFASA-N 2 0 291.361 1.839 50 0 CDAARP c1[nH]nnc1SCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067805009 377240972 /nfs/dbraw/zinc/24/09/72/377240972.db2.gz MLELNPJNIFAVDF-UHFFFAOYSA-N 2 0 295.456 1.799 50 0 CDAARP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003845 391483092 /nfs/dbraw/zinc/48/30/92/391483092.db2.gz YFABSRYVUCTVHL-AGIUHOORSA-N 2 0 253.390 1.199 50 0 CDAARP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3)C[C@@H]12 ZINC000261856020 140399464 /nfs/dbraw/zinc/39/94/64/140399464.db2.gz XEGNLKHGZQVCOH-BPLDGKMQSA-N 2 0 273.380 1.684 50 0 CDAARP CCC[NH+]1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000005310585 170084879 /nfs/dbraw/zinc/08/48/79/170084879.db2.gz UIMZZLOHHOYQFF-UHFFFAOYSA-N 2 0 269.433 1.173 50 0 CDAARP C[C@H](C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077519422 289408867 /nfs/dbraw/zinc/40/88/67/289408867.db2.gz FUYDDDYABPZCIZ-OAHLLOKOSA-N 2 0 288.439 1.934 50 0 CDAARP CCCN1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CC1=O ZINC000067872608 519864229 /nfs/dbraw/zinc/86/42/29/519864229.db2.gz JSLPDTSSTCKVTB-OAHLLOKOSA-N 2 0 293.455 1.899 50 0 CDAARP [NH3+][C@H](CCC(F)(F)F)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528348 791842425 /nfs/dbraw/zinc/84/24/25/791842425.db2.gz QCAGUUYJDOFLTB-WSSOQDAQSA-N 2 0 252.280 1.302 50 0 CDAARP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000035254895 791849255 /nfs/dbraw/zinc/84/92/55/791849255.db2.gz AFFIUWBBGJHUFJ-HNNXBMFYSA-N 2 0 273.380 1.973 50 0 CDAARP C[C@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000125716752 187197181 /nfs/dbraw/zinc/19/71/81/187197181.db2.gz IGHMFRILLQZTMV-AWEZNQCLSA-N 2 0 287.407 1.716 50 0 CDAARP C[N@@H+]1CCC[C@H](CCNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067758924 357625386 /nfs/dbraw/zinc/62/53/86/357625386.db2.gz XCSBUFVTWQSZMT-CQSZACIVSA-N 2 0 265.401 1.144 50 0 CDAARP O[C@@]1(C[NH2+]CCCCc2ccccn2)CCC[NH2+]C1 ZINC000072463318 357837421 /nfs/dbraw/zinc/83/74/21/357837421.db2.gz HBMDIDULWFDOLR-OAHLLOKOSA-N 2 0 263.385 1.108 50 0 CDAARP CSCCC[NH2+]C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000095384619 358691174 /nfs/dbraw/zinc/69/11/74/358691174.db2.gz CNWWDROGZKCNGH-UHFFFAOYSA-N 2 0 295.456 1.679 50 0 CDAARP C[NH+](C)CC[C@H](NC(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000216012347 358917892 /nfs/dbraw/zinc/91/78/92/358917892.db2.gz UYPQANAVHFIKLB-HNNXBMFYSA-N 2 0 275.396 1.548 50 0 CDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000248125755 360385553 /nfs/dbraw/zinc/38/55/53/360385553.db2.gz LSBHLELVMUMETR-OWCLPIDISA-N 2 0 293.455 1.946 50 0 CDAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000093564819 374767674 /nfs/dbraw/zinc/76/76/74/374767674.db2.gz BZPSNQLKQHAFLO-OAHLLOKOSA-N 2 0 293.455 1.733 50 0 CDAARP CC[N@@H+]1CCC[C@](C)(C[NH+]2CCC(CO)CC2)C1 ZINC000019642388 374768295 /nfs/dbraw/zinc/76/82/95/374768295.db2.gz OLMDMUBUWKXJLF-HNNXBMFYSA-N 2 0 254.418 1.813 50 0 CDAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccnc1 ZINC000002479752 169794367 /nfs/dbraw/zinc/79/43/67/169794367.db2.gz SEMNVRGJHCWMJE-UHFFFAOYSA-N 2 0 278.444 1.787 50 0 CDAARP Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)n1 ZINC000072168517 176332250 /nfs/dbraw/zinc/33/22/50/176332250.db2.gz QJDJSENTGOJDKT-MRXNPFEDSA-N 2 0 277.412 1.669 50 0 CDAARP CC1(C)CC([NH2+]CCn2ccnn2)CC(C)(C)[NH2+]1 ZINC000822293559 1161927531 /nfs/dbraw/zinc/92/75/31/1161927531.db2.gz BHJYVEXLJPDDHX-UHFFFAOYSA-N 2 0 251.378 1.177 50 0 CDAARP Cc1[nH+]c(N2CCCC2)nc(NCC[N@H+](C)CCO)c1C ZINC001704339104 1177695271 /nfs/dbraw/zinc/69/52/71/1177695271.db2.gz DCEUTAGIPHSUAJ-UHFFFAOYSA-N 2 0 293.415 1.030 50 0 CDAARP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H](O)CC1(O)CCC1 ZINC000952877058 910435600 /nfs/dbraw/zinc/43/56/00/910435600.db2.gz LHJCHPUGDKXFFD-INIZCTEOSA-N 2 0 292.423 1.503 50 0 CDAARP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)CCCn2ccnc2)C1 ZINC001506402948 975150567 /nfs/dbraw/zinc/15/05/67/975150567.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 2 0 264.417 1.935 50 0 CDAARP COCC[NH+]1CCC(C[N@H+](C)Cc2cncnc2)CC1 ZINC001506418507 975156949 /nfs/dbraw/zinc/15/69/49/975156949.db2.gz ZLTGMTNKPAEJCH-UHFFFAOYSA-N 2 0 278.400 1.267 50 0 CDAARP Cc1cc(N2CCC[N@@H+](CCc3nccn3C)CC2)cc[nH+]1 ZINC001506418295 975157440 /nfs/dbraw/zinc/15/74/40/975157440.db2.gz GYGIWFSGYHXDMS-UHFFFAOYSA-N 2 0 299.422 1.878 50 0 CDAARP Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC001506428770 975161910 /nfs/dbraw/zinc/16/19/10/975161910.db2.gz QFUHXTJKTBXQEZ-HOTGVXAUSA-N 2 0 271.364 1.654 50 0 CDAARP C[C@H]1CNC(=O)CC[N@@H+]1C1CCN(Cc2ccco2)CC1 ZINC000065419881 357540196 /nfs/dbraw/zinc/54/01/96/357540196.db2.gz CQJPTYJANHPWLY-ZDUSSCGKSA-N 2 0 291.395 1.454 50 0 CDAARP Cc1cc(NCCC[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000065527810 357547129 /nfs/dbraw/zinc/54/71/29/357547129.db2.gz QEARGEJPOWLEQO-UHFFFAOYSA-N 2 0 263.389 1.749 50 0 CDAARP CCNC(=O)[C@@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067789954 357627940 /nfs/dbraw/zinc/62/79/40/357627940.db2.gz RLUMGKPSPSIBSU-GFCCVEGCSA-N 2 0 267.417 1.413 50 0 CDAARP OC[C@H]1C[NH2+]CCC12CC[NH+](Cc1cccs1)CC2 ZINC000097654153 358790294 /nfs/dbraw/zinc/79/02/94/358790294.db2.gz SBYHBEJYHMLQJI-CYBMUJFWSA-N 2 0 280.437 1.932 50 0 CDAARP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2OCCO)CC1 ZINC000097772986 358797821 /nfs/dbraw/zinc/79/78/21/358797821.db2.gz GMOWISIYDAKZQP-AWEZNQCLSA-N 2 0 264.369 1.371 50 0 CDAARP CN1C[C@H](C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)CC1=O ZINC000215738556 358901194 /nfs/dbraw/zinc/90/11/94/358901194.db2.gz DXNWEAPOALUYNB-LBPRGKRZSA-N 2 0 295.452 1.720 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000426511560 360679125 /nfs/dbraw/zinc/67/91/25/360679125.db2.gz DSVJDOGBGVKJTC-CQSZACIVSA-N 2 0 290.411 1.214 50 0 CDAARP CN1CCC[N@@H+]([C@@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000426623362 360691256 /nfs/dbraw/zinc/69/12/56/360691256.db2.gz UEDHBESQMSRRBU-CQSZACIVSA-N 2 0 283.485 1.642 50 0 CDAARP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000252523108 367784354 /nfs/dbraw/zinc/78/43/54/367784354.db2.gz BWXSJQFCYXRHLQ-AWEZNQCLSA-N 2 0 261.369 1.747 50 0 CDAARP CN(Cc1cc(CC2([NH3+])COC2)no1)Cc1ccccc1 ZINC000070633540 374667083 /nfs/dbraw/zinc/66/70/83/374667083.db2.gz NLRNBLONRZKZCV-UHFFFAOYSA-N 2 0 287.363 1.577 50 0 biogenic,in-vitro CDAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C)o2)CC1 ZINC000093564856 374768541 /nfs/dbraw/zinc/76/85/41/374768541.db2.gz HIXDEUYTSSOJDM-UHFFFAOYSA-N 2 0 293.411 1.478 50 0 CDAARP [NH2+]=C1NC(=[NH2+])N(c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000000063592 390133663 /nfs/dbraw/zinc/13/36/63/390133663.db2.gz GWOLNTNSXCWRKK-ZDUSSCGKSA-N 2 0 265.320 1.835 50 0 CDAARP C[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648038 131246275 /nfs/dbraw/zinc/24/62/75/131246275.db2.gz PMGFVAIOALYKQM-HIFRSBDPSA-N 2 0 275.396 1.375 50 0 CDAARP Cc1cc(NC(=[NH2+])NC(N)=[NH2+])ccc1Br ZINC000020459023 171208692 /nfs/dbraw/zinc/20/86/92/171208692.db2.gz DRWSXSZUUAGARS-UHFFFAOYSA-N 2 0 270.134 1.587 50 0 CDAARP O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2cccnc2)C1 ZINC000077342534 177254868 /nfs/dbraw/zinc/25/48/68/177254868.db2.gz XOJZXUJVCLLTKU-MRXNPFEDSA-N 2 0 275.396 1.504 50 0 CDAARP CC(=O)N1CCO[C@@H](C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000534652982 328338371 /nfs/dbraw/zinc/33/83/71/328338371.db2.gz PBAUCCNTYVAHAZ-AWEZNQCLSA-N 2 0 297.443 1.133 50 0 CDAARP CN1CCCN(c2noc(C3CC3)n2)CC12CC[NH2+]CC2 ZINC000534671700 328347832 /nfs/dbraw/zinc/34/78/32/328347832.db2.gz JTFMPDQDDSYQPA-UHFFFAOYSA-N 2 0 291.399 1.211 50 0 CDAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC000952984747 616176283 /nfs/dbraw/zinc/17/62/83/616176283.db2.gz AJBVKJGPLGFXOK-OAHLLOKOSA-N 2 0 289.379 1.460 50 0 CDAARP C[C@](O)(C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000388826460 811800348 /nfs/dbraw/zinc/80/03/48/811800348.db2.gz WSQJXXIDWYWYTM-TUUVXOQKSA-N 2 0 260.381 1.563 50 0 CDAARP [NH3+][C@H](c1ccsc1C(F)(F)F)C1(O)CC[NH2+]CC1 ZINC000958528560 812016358 /nfs/dbraw/zinc/01/63/58/812016358.db2.gz QSQRAYAXHJMYHX-MRVPVSSYSA-N 2 0 280.315 1.881 50 0 CDAARP CCc1cc(N2CCC[NH2+]CC2)nc(N2CCCCC2)[nH+]1 ZINC000032553326 812755517 /nfs/dbraw/zinc/75/55/17/812755517.db2.gz QMHGFDZROOZYKR-UHFFFAOYSA-N 2 0 289.427 1.829 50 0 CDAARP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000952874270 910428306 /nfs/dbraw/zinc/42/83/06/910428306.db2.gz ZJHNSYDBLQIYPG-HNNXBMFYSA-N 2 0 281.444 1.853 50 0 CDAARP COc1ccccc1C1CC[NH+](C[C@]2(O)CC[NH2+]C2)CC1 ZINC000077392991 936739226 /nfs/dbraw/zinc/73/92/26/936739226.db2.gz QCWCOLOTZYMSPY-KRWDZBQOSA-N 2 0 290.407 1.599 50 0 CDAARP CCNC(=O)N1CC([N@H+](CC(C)C)C2CCN(C)CC2)C1 ZINC000581799671 927199990 /nfs/dbraw/zinc/19/99/90/927199990.db2.gz HLELRMASACFVBO-UHFFFAOYSA-N 2 0 296.459 1.452 50 0 CDAARP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(OC)c2)C1 ZINC001506409484 975153442 /nfs/dbraw/zinc/15/34/42/975153442.db2.gz RAQRRNLHTQIUOK-CQSZACIVSA-N 2 0 296.386 1.892 50 0 CDAARP Cn1cnnc1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000243893660 361828523 /nfs/dbraw/zinc/82/85/23/361828523.db2.gz ATBANTJJKAXTCY-CQSZACIVSA-N 2 0 277.416 1.479 50 0 CDAARP [NH3+]C1CCN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000601013368 345006562 /nfs/dbraw/zinc/00/65/62/345006562.db2.gz FYVPTKUQGAZWIY-UKRRQHHQSA-N 2 0 251.418 1.674 50 0 CDAARP NC(=O)C1CC[NH+](CCC[NH2+][C@H]2CCCSC2)CC1 ZINC000584891752 349350920 /nfs/dbraw/zinc/35/09/20/349350920.db2.gz HASTUJASJUFVHO-ZDUSSCGKSA-N 2 0 285.457 1.059 50 0 CDAARP C[NH+](C)Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000037019476 363313948 /nfs/dbraw/zinc/31/39/48/363313948.db2.gz FSGGCMQMDVMKPP-UHFFFAOYSA-N 2 0 261.369 1.686 50 0 CDAARP CN1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000038019054 359475303 /nfs/dbraw/zinc/47/53/03/359475303.db2.gz CGAKNPVAEBAISN-LQDVMPOASA-N 3 0 251.418 1.543 50 0 CDAARP C[C@H]1C[N@@H+](C2CCN(C[C@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000252517298 367740059 /nfs/dbraw/zinc/74/00/59/367740059.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 2 0 281.444 1.123 50 0 CDAARP CCn1cc(C[NH2+]CCN2CC[NH2+]CC2)c2ccccc21 ZINC000020968613 171283026 /nfs/dbraw/zinc/28/30/26/171283026.db2.gz ZTSIYSCIXHZDCN-UHFFFAOYSA-N 2 0 286.423 1.656 50 0 CDAARP C1COC2(CC[NH+](C3CSCCSC3)CC2)C[NH2+]1 ZINC000426563263 276852067 /nfs/dbraw/zinc/85/20/67/276852067.db2.gz JLDIJNSJNUYMQE-UHFFFAOYSA-N 2 0 288.482 1.289 50 0 CDAARP COCCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000091441412 277208203 /nfs/dbraw/zinc/20/82/03/277208203.db2.gz TUGAMXWRYFILPP-LBPRGKRZSA-N 2 0 279.388 1.138 50 0 CDAARP O=C(NCCn1ccnc1)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534593344 328318992 /nfs/dbraw/zinc/31/89/92/328318992.db2.gz VUHMLDHTEYQEBZ-UHFFFAOYSA-N 2 0 299.378 1.175 50 0 CDAARP O[C@@H]1CCC[N@H+](CCCNCc2ccc(Cl)o2)C1 ZINC000952992106 818556600 /nfs/dbraw/zinc/55/66/00/818556600.db2.gz WZDKZDZCBZIOIT-LLVKDONJSA-N 2 0 272.776 1.869 50 0 CDAARP c1c(CN2CCC(c3ccncc3)CC2)nn2c1C[NH2+]CC2 ZINC000072164943 818624755 /nfs/dbraw/zinc/62/47/55/818624755.db2.gz YVYVZFPJXAMBAH-UHFFFAOYSA-N 2 0 297.406 1.761 50 0 CDAARP C[C@@H]1CCC[N@H+](CCC(=O)N(C)CC[NH+](C)C)C1 ZINC000020857481 819197824 /nfs/dbraw/zinc/19/78/24/819197824.db2.gz FDTRYRXEKBPODT-CYBMUJFWSA-N 2 0 255.406 1.128 50 0 CDAARP C[C@@H](CN1CC[NH+](C)CC1)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000823789110 925733322 /nfs/dbraw/zinc/73/33/22/925733322.db2.gz HAJZYFCQZLDOIN-INIZCTEOSA-N 3 0 294.487 1.040 50 0 CDAARP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CCN1Cc1ccccc1 ZINC000585116788 930968866 /nfs/dbraw/zinc/96/88/66/930968866.db2.gz IMUABNCEBOZPJN-OIISXLGYSA-N 2 0 292.423 1.325 50 0 CDAARP CCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554584 342626144 /nfs/dbraw/zinc/62/61/44/342626144.db2.gz KGWHZXJYGUFUSF-JSGCOSHPSA-N 2 0 267.417 1.589 50 0 CDAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091392047 180145041 /nfs/dbraw/zinc/14/50/41/180145041.db2.gz KREYCRCOJQIIBC-CABCVRRESA-N 2 0 275.396 1.282 50 0 CDAARP C[NH+](C)CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000019261057 356478898 /nfs/dbraw/zinc/47/88/98/356478898.db2.gz ASWFJYOHRDVDDE-UHFFFAOYSA-N 2 0 261.413 1.802 50 0 CDAARP C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000521398772 359970346 /nfs/dbraw/zinc/97/03/46/359970346.db2.gz WHKCAGZAXLOIJQ-LOWDOPEQSA-N 2 0 253.390 1.151 50 0 CDAARP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433977 374934468 /nfs/dbraw/zinc/93/44/68/374934468.db2.gz QJSOXSHNSHSUPT-GJZGRUSLSA-N 2 0 279.428 1.520 50 0 CDAARP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000096491727 277386375 /nfs/dbraw/zinc/38/63/75/277386375.db2.gz VHRMETRVPBVNFD-ZBFHGGJFSA-N 2 0 283.460 1.416 50 0 CDAARP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH2+]C)[C@H](C)C1 ZINC000430799198 279396299 /nfs/dbraw/zinc/39/62/99/279396299.db2.gz WNYDKRPOMFCMGZ-CHWSQXEVSA-N 2 0 255.406 1.175 50 0 CDAARP [NH3+][C@H](CC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188650493 527384252 /nfs/dbraw/zinc/38/42/52/527384252.db2.gz KBSRYAOPMIXBHA-QGZVFWFLSA-N 2 0 295.386 1.996 50 0 CDAARP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[NH2+]1 ZINC000384764825 823781441 /nfs/dbraw/zinc/78/14/41/823781441.db2.gz ALLKYINLKZDBOZ-CQSZACIVSA-N 2 0 259.353 1.583 50 0 CDAARP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000238853108 825043938 /nfs/dbraw/zinc/04/39/38/825043938.db2.gz IKQSGNVRSNCGPI-HNNXBMFYSA-N 2 0 260.381 1.874 50 0 CDAARP CC[NH+]1CCC([NH2+]CCn2cnc(C)c2C)CC1 ZINC000823107053 925672650 /nfs/dbraw/zinc/67/26/50/925672650.db2.gz GXEPBXGZONAIMK-UHFFFAOYSA-N 2 0 250.390 1.574 50 0 CDAARP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000828628883 926150096 /nfs/dbraw/zinc/15/00/96/926150096.db2.gz WFRZVBVAQZYQRE-CQSZACIVSA-N 2 0 254.418 1.955 50 0 CDAARP COCCC[N@@H+]1CC[C@H](CNc2ccncc2F)C1 ZINC001529089677 968977860 /nfs/dbraw/zinc/97/78/60/968977860.db2.gz WLCHZXLFJLCZHW-GFCCVEGCSA-N 2 0 267.348 1.413 50 0 CDAARP CC(C)[NH+]1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000244893099 361869651 /nfs/dbraw/zinc/86/96/51/361869651.db2.gz YVTJYJVFTVHGQA-BETUJISGSA-N 2 0 275.400 1.212 50 0 CDAARP [NH3+]C1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000114836766 350861983 /nfs/dbraw/zinc/86/19/83/350861983.db2.gz FYVPTKUQGAZWIY-ZFWWWQNUSA-N 2 0 251.418 1.674 50 0 CDAARP Cc1nccn1Cc1nnc([C@H]2CCC[N@H+](C)C2)n1C ZINC000095353333 358682948 /nfs/dbraw/zinc/68/29/48/358682948.db2.gz DSPSCFCIFNFKIC-LBPRGKRZSA-N 2 0 274.372 1.178 50 0 CDAARP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)N(C)C1)C2 ZINC000089920316 366969546 /nfs/dbraw/zinc/96/95/46/366969546.db2.gz RMMRYJGOFAFSJB-IACUBPJLSA-N 2 0 276.380 1.681 50 0 CDAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756873 372745811 /nfs/dbraw/zinc/74/58/11/372745811.db2.gz IGBIADUEVDGXDI-AFIMGQEJSA-N 2 0 299.418 1.709 50 0 CDAARP CC[NH+](CC)CCC(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000000198866 373466211 /nfs/dbraw/zinc/46/62/11/373466211.db2.gz VFRSYAZEERKDHH-PBWFPOADSA-N 2 0 268.401 1.887 50 0 biogenic CDAARP CCn1nncc1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000581992711 373469587 /nfs/dbraw/zinc/46/95/87/373469587.db2.gz QKJNHXNTXQJTOU-UHFFFAOYSA-N 2 0 251.378 1.120 50 0 CDAARP CC[NH+](CC)CC[C@H]1C[NH2+]CC[C@H]1CC(=O)OC ZINC000067870520 374437133 /nfs/dbraw/zinc/43/71/33/374437133.db2.gz JXWPAPJSUSMJQN-STQMWFEESA-N 2 0 256.390 1.507 50 0 biogenic CDAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000261796516 140390486 /nfs/dbraw/zinc/39/04/86/140390486.db2.gz VFKWETAESSJQRE-RDJZCZTQSA-N 2 0 287.407 1.016 50 0 CDAARP C(COCC[NH+]1CCCCC1)OCC[NH+]1CCCCC1 ZINC000004860566 170032356 /nfs/dbraw/zinc/03/23/56/170032356.db2.gz XGLKTGPHTYZZSM-UHFFFAOYSA-N 2 0 284.444 1.991 50 0 CDAARP CNC(=O)C[C@@H]1CC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670435447 482971668 /nfs/dbraw/zinc/97/16/68/482971668.db2.gz DMOUBNIPOVETCN-LBPRGKRZSA-N 2 0 281.444 1.754 50 0 CDAARP OCc1nc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)no1 ZINC000670443593 482990122 /nfs/dbraw/zinc/99/01/22/482990122.db2.gz SPVUDFJCSZKFKP-UHFFFAOYSA-N 2 0 294.399 1.101 50 0 CDAARP CCc1n[nH]c2c1C[N@H+](CCc1nccn1C)CC2 ZINC000670450469 483008861 /nfs/dbraw/zinc/00/88/61/483008861.db2.gz WDPUGOBCGAIFLS-UHFFFAOYSA-N 2 0 259.357 1.306 50 0 CDAARP CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCCC2)C1 ZINC000670473085 483082338 /nfs/dbraw/zinc/08/23/38/483082338.db2.gz BYAJQXHWYSQAIN-OAHLLOKOSA-N 2 0 281.444 1.853 50 0 CDAARP CC[N@H+](C)C(C)(C)CNC(=O)[C@H](C)n1ccnc1C ZINC000426624956 828831934 /nfs/dbraw/zinc/83/19/34/828831934.db2.gz YYXYBLURYOKWMX-NSHDSACASA-N 2 0 266.389 1.599 50 0 CDAARP CN1CCC[N@H+](CCC(F)(F)F)CC12CC[NH2+]CC2 ZINC000823778358 925730033 /nfs/dbraw/zinc/73/00/33/925730033.db2.gz KZBHATQLXDXRGY-UHFFFAOYSA-N 2 0 279.350 1.699 50 0 CDAARP Cc1nc(C[NH3+])cc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000071279052 356908536 /nfs/dbraw/zinc/90/85/36/356908536.db2.gz PBXVBYFRELOKQK-UHFFFAOYSA-N 2 0 275.400 1.308 50 0 CDAARP CSCC[C@@H](CO)[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055054233 357328339 /nfs/dbraw/zinc/32/83/39/357328339.db2.gz BJXLCHIAHNQFJJ-SOUVJXGZSA-N 2 0 286.485 1.955 50 0 CDAARP O=C(C[NH+]1CCCCCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067894657 357635659 /nfs/dbraw/zinc/63/56/59/357635659.db2.gz LGSWAPPNSVWDDB-QGZVFWFLSA-N 2 0 293.455 1.855 50 0 CDAARP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2OCCO)CC1 ZINC000097772987 358797837 /nfs/dbraw/zinc/79/78/37/358797837.db2.gz GMOWISIYDAKZQP-CQSZACIVSA-N 2 0 264.369 1.371 50 0 CDAARP Cc1nc(CC[NH3+])cc(N(C)C[C@]2(C)CC[N@H+](C)C2)n1 ZINC000067754556 359704467 /nfs/dbraw/zinc/70/44/67/359704467.db2.gz SDRLXPYHSXNDFN-OAHLLOKOSA-N 2 0 277.416 1.064 50 0 CDAARP CC(C)SCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000375876483 371012663 /nfs/dbraw/zinc/01/26/63/371012663.db2.gz QLYBNKLNYBDHDW-AWEZNQCLSA-N 2 0 299.484 1.366 50 0 CDAARP C[C@H](C[NH3+])Oc1cccc(C[N@H+](C)C2CCN(C)CC2)c1 ZINC000299787051 372761709 /nfs/dbraw/zinc/76/17/09/372761709.db2.gz OURHKPZSIYJBBQ-CQSZACIVSA-N 2 0 291.439 1.939 50 0 CDAARP Cc1cc(N2CCCN(C[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000077520873 390810880 /nfs/dbraw/zinc/81/08/80/390810880.db2.gz YBNKCFAOPSASNT-OAHLLOKOSA-N 2 0 274.412 1.512 50 0 CDAARP O=C(C[NH+]1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000072154769 176328981 /nfs/dbraw/zinc/32/89/81/176328981.db2.gz AURUSEITSJKUTG-UHFFFAOYSA-N 2 0 265.401 1.074 50 0 CDAARP C[C@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092374219 279360646 /nfs/dbraw/zinc/36/06/46/279360646.db2.gz GRGOZLZDMVMLBM-GFCCVEGCSA-N 2 0 297.830 1.562 50 0 CDAARP C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC000299739350 482447817 /nfs/dbraw/zinc/44/78/17/482447817.db2.gz NNGBRDKTYSUVSJ-VNHYZAJKSA-N 2 0 275.396 1.675 50 0 CDAARP C[C@@H]1N[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CC[C@@H]1[NH3+] ZINC000757211889 574906642 /nfs/dbraw/zinc/90/66/42/574906642.db2.gz KQKXTGCKNQULAL-SSRBZLIGSA-N 2 0 265.323 1.385 50 0 CDAARP CC1CCC([C@H]([NH3+])C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000958527734 614424584 /nfs/dbraw/zinc/42/45/84/614424584.db2.gz FYZCWKGDDWSNBW-LARKOUOTSA-N 2 0 252.402 1.786 50 0 CDAARP CC[C@H]1C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCN1C(C)C ZINC000952980816 615915787 /nfs/dbraw/zinc/91/57/87/615915787.db2.gz KYFMNZPMZBCCLY-BYNSBNAKSA-N 2 0 251.418 1.256 50 0 CDAARP CCn1ccc(C[NH2+]CCNc2cc[nH+]cc2C)n1 ZINC000952981311 616031935 /nfs/dbraw/zinc/03/19/35/616031935.db2.gz DGASFVUNUQRBPZ-UHFFFAOYSA-N 2 0 259.357 1.230 50 0 CDAARP [NH3+]CCc1ccc(C[NH2+]Cc2cccc(CO)c2)cc1 ZINC000952972469 837505094 /nfs/dbraw/zinc/50/50/94/837505094.db2.gz FOTLKPFXDIDVLB-UHFFFAOYSA-N 2 0 270.376 1.970 50 0 CDAARP CC1(C)C[C@@H](C[NH+]2CCC3(CC2)C[NH2+]CCO3)CCO1 ZINC000426504005 836459043 /nfs/dbraw/zinc/45/90/43/836459043.db2.gz NSJLDLWUBJGLEP-AWEZNQCLSA-N 2 0 282.428 1.646 50 0 CDAARP Cc1nc(C[NH3+])cc(N(C)CC[N@H+]2CCCC[C@@H]2C)n1 ZINC000067872670 839997814 /nfs/dbraw/zinc/99/78/14/839997814.db2.gz PPXSJYVSVCUIGN-LBPRGKRZSA-N 2 0 277.416 1.554 50 0 CDAARP CN1CC[NH+](C2(CNc3cc[nH+]cc3)CCCC2)CC1 ZINC000823789452 925733016 /nfs/dbraw/zinc/73/30/16/925733016.db2.gz RFLKBONPBAVJDW-UHFFFAOYSA-N 2 0 274.412 1.476 50 0 CDAARP O=C1CC[C@@H]([NH+]2CCC(CC[NH+]3CCCC3)CC2)CCN1 ZINC000828305678 926100314 /nfs/dbraw/zinc/10/03/14/926100314.db2.gz WJAGISJVOCDCKF-MRXNPFEDSA-N 2 0 293.455 1.853 50 0 CDAARP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000585089116 930911897 /nfs/dbraw/zinc/91/18/97/930911897.db2.gz HDBRVQVYZMGVHZ-ZIAGYGMSSA-N 2 0 267.417 1.223 50 0 CDAARP Cc1nc(CCN2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)cs1 ZINC000244723686 361858277 /nfs/dbraw/zinc/85/82/77/361858277.db2.gz MFNYYZACKWJZKU-JSGCOSHPSA-N 2 0 281.425 1.040 50 0 CDAARP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000118818501 348750674 /nfs/dbraw/zinc/75/06/74/348750674.db2.gz MFHMXJUPYLKVMI-JOCQHMNTSA-N 2 0 253.390 1.057 50 0 CDAARP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000091391820 180145105 /nfs/dbraw/zinc/14/51/05/180145105.db2.gz HYDDFZUEMOQMGY-GJZGRUSLSA-N 2 0 275.396 1.109 50 0 CDAARP O[C@@]1(C[NH2+]CCc2ccccc2Cl)CC[NH2+]C1 ZINC000072432859 357985544 /nfs/dbraw/zinc/98/55/44/357985544.db2.gz ZZTRSTIVNSOMIJ-CYBMUJFWSA-N 2 0 254.761 1.197 50 0 CDAARP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@@H](C)C1 ZINC000195563332 358565506 /nfs/dbraw/zinc/56/55/06/358565506.db2.gz PHRYXUSUVCPLHH-KBPBESRZSA-N 2 0 298.427 1.276 50 0 CDAARP CCc1[nH+]c(N)nc(N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c1C ZINC000102806730 358892109 /nfs/dbraw/zinc/89/21/09/358892109.db2.gz XKNOCTWQEWSSQT-CNDDSTCGSA-N 2 0 275.400 1.173 50 0 CDAARP CC(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511632 367678306 /nfs/dbraw/zinc/67/83/06/367678306.db2.gz IWMRMUHLKWTPGN-IKGGRYGDSA-N 2 0 295.471 1.560 50 0 CDAARP Cc1nc(N2CCN(c3cc[nH+]cc3)CC2)cc(N)[nH+]1 ZINC000092066117 135075230 /nfs/dbraw/zinc/07/52/30/135075230.db2.gz AEAKLAWGJXNVBU-UHFFFAOYSA-N 2 0 270.340 1.089 50 0 CDAARP Cc1cccc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000072151326 176327545 /nfs/dbraw/zinc/32/75/45/176327545.db2.gz ZNGJVWZAWQMARB-QGZVFWFLSA-N 2 0 273.424 1.722 50 0 CDAARP CC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000195554429 288110446 /nfs/dbraw/zinc/11/04/46/288110446.db2.gz FPYGLYJUZHQGFG-QXULXFAOSA-N 2 0 281.444 1.000 50 0 CDAARP C[NH+]1CCN(CC2(C[NH2+][C@H]3CCSC3)CC2)CC1 ZINC000534634244 328333145 /nfs/dbraw/zinc/33/31/45/328333145.db2.gz QXSQLVQIFHDZHI-ZDUSSCGKSA-N 2 0 269.458 1.109 50 0 CDAARP CCCN1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CC1=O ZINC000067872609 519864700 /nfs/dbraw/zinc/86/47/00/519864700.db2.gz JSLPDTSSTCKVTB-HNNXBMFYSA-N 2 0 293.455 1.899 50 0 CDAARP C[NH+](C)C[C@@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(Cl)o1)C2 ZINC001772711320 1159445835 /nfs/dbraw/zinc/44/58/35/1159445835.db2.gz HKBOMEUKTKMEMC-IINYFYTJSA-N 2 0 297.786 1.156 50 0 CDAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000828605355 926146461 /nfs/dbraw/zinc/14/64/61/926146461.db2.gz PNXQWRYHXLSHRN-CQSZACIVSA-N 2 0 268.401 1.088 50 0 CDAARP CC(C)[NH+]1CCC(C(=O)NCC[C@@H]2CCCC[NH2+]2)CC1 ZINC001506398031 975147947 /nfs/dbraw/zinc/14/79/47/975147947.db2.gz SCWCHAQYPUZYQO-HNNXBMFYSA-N 2 0 281.444 1.755 50 0 CDAARP CC(C)[N@@H+]1CC[C@H](C[NH+](C)CCCn2ccnc2)C1 ZINC001506402950 975150317 /nfs/dbraw/zinc/15/03/17/975150317.db2.gz LDBZVSSLMFJTPG-OAHLLOKOSA-N 2 0 264.417 1.935 50 0 CDAARP C[C@@H](c1cnccn1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000184451234 230395881 /nfs/dbraw/zinc/39/58/81/230395881.db2.gz HBKRBUUWSVTEST-AWEZNQCLSA-N 2 0 290.411 1.582 50 0 CDAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000095967796 185046787 /nfs/dbraw/zinc/04/67/87/185046787.db2.gz HYTQJQCEXUVJFB-LSDHHAIUSA-N 2 0 293.430 1.982 50 0 CDAARP C[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000685939540 539045794 /nfs/dbraw/zinc/04/57/94/539045794.db2.gz YQXMSUPDGINDGU-HOTGVXAUSA-N 2 0 293.455 1.948 50 0 CDAARP COC(C)(C)C[C@@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584887274 349345543 /nfs/dbraw/zinc/34/55/43/349345543.db2.gz PTKPKBHSCNLLBZ-CQSZACIVSA-N 2 0 285.476 1.806 50 0 CDAARP CC[N@H+](C)C[C@@H](C)CNc1nc(N)[nH+]c(C)c1C ZINC000091518848 180177580 /nfs/dbraw/zinc/17/75/80/180177580.db2.gz NNPXTWJQIUJPFW-VIFPVBQESA-N 2 0 251.378 1.675 50 0 CDAARP CCc1[nH+]c(N)nc(NC[C@H]2CC[N@H+](CCOC)C2)c1C ZINC000092045756 180311449 /nfs/dbraw/zinc/31/14/49/180311449.db2.gz NRSWRQZEMAYPAE-GFCCVEGCSA-N 2 0 293.415 1.310 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000095371568 358687694 /nfs/dbraw/zinc/68/76/94/358687694.db2.gz LMZXWCRLKQDDDZ-OAHLLOKOSA-N 2 0 290.411 1.793 50 0 CDAARP C(O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH2+]CC1)C1CCC1 ZINC000223029891 359394547 /nfs/dbraw/zinc/39/45/47/359394547.db2.gz HWMRFVOPGYXDAZ-HUUCEWRRSA-N 2 0 268.401 1.302 50 0 CDAARP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C=CC[NH2+]1 ZINC000299802064 372772545 /nfs/dbraw/zinc/77/25/45/372772545.db2.gz ZQRFYFQNZYKZJN-MRXNPFEDSA-N 2 0 285.391 1.427 50 0 CDAARP [NH3+][C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000244601772 377794023 /nfs/dbraw/zinc/79/40/23/377794023.db2.gz DRMCUGZGVWXYSD-OAGGEKHMSA-N 2 0 293.455 1.838 50 0 CDAARP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000195554600 393294969 /nfs/dbraw/zinc/29/49/69/393294969.db2.gz UUIVQKHBAVRWQA-XNISGKROSA-N 2 0 293.455 1.835 50 0 CDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C(=O)C[NH+]1CCCCCCC1)C2 ZINC000534581129 328311692 /nfs/dbraw/zinc/31/16/92/328311692.db2.gz GIJNZMLAUQCHKK-FOLVSLTJSA-N 2 0 279.428 1.448 50 0 CDAARP CC[C@@H](NC(=O)Cn1ccnc1C)c1nc(C)c[nH]1 ZINC000670437960 482979753 /nfs/dbraw/zinc/97/97/53/482979753.db2.gz PQBDLFVIGVHBNK-LLVKDONJSA-N 2 0 261.329 1.491 50 0 CDAARP CC1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CCOCC1 ZINC000426427883 698471148 /nfs/dbraw/zinc/47/11/48/698471148.db2.gz DUSJLZIKXWUIOG-UHFFFAOYSA-N 2 0 252.402 1.879 50 0 CDAARP CC1(C)CC(O)([C@@H]([NH3+])c2ccns2)CC(C)(C)[NH2+]1 ZINC000958528906 704842772 /nfs/dbraw/zinc/84/27/72/704842772.db2.gz YHXINRJJDLNUTJ-JTQLQIEISA-N 2 0 269.414 1.815 50 0 CDAARP CC[C@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878147237 848162992 /nfs/dbraw/zinc/16/29/92/848162992.db2.gz AUXQACSRGCSPED-MRXNPFEDSA-N 2 0 281.444 1.709 50 0 CDAARP Cc1nc(CN2CCC[C@@](O)(C[NH+](C)C)CC2)co1 ZINC000072168760 850074990 /nfs/dbraw/zinc/07/49/90/850074990.db2.gz SLANNVLZTMOBTQ-AWEZNQCLSA-N 2 0 267.373 1.262 50 0 CDAARP Cc1cc(C)n(C[C@H](C)[NH2+]CCNc2cc[nH+]cc2C)n1 ZINC000821508299 925584536 /nfs/dbraw/zinc/58/45/36/925584536.db2.gz ACJBYXDNNRPORH-AWEZNQCLSA-N 2 0 287.411 1.715 50 0 CDAARP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000823693046 925723085 /nfs/dbraw/zinc/72/30/85/925723085.db2.gz IIWGXPAXWXLVGG-ZDUSSCGKSA-N 2 0 255.406 1.271 50 0 CDAARP CN1CCC[N@H+](CC[C@@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000823778381 925729827 /nfs/dbraw/zinc/72/98/27/925729827.db2.gz RNGBLNUHOIJFKA-OAHLLOKOSA-N 2 0 281.444 1.173 50 0 CDAARP C[NH+](C)CC[C@H]1CCCCN1Cc1cccnc1N ZINC000072462516 357837317 /nfs/dbraw/zinc/83/73/17/357837317.db2.gz FUYXUUSJJDUCMK-CQSZACIVSA-N 2 0 262.401 1.970 50 0 CDAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](C)CC2)OC1=O ZINC000072476559 357837806 /nfs/dbraw/zinc/83/78/06/357837806.db2.gz UIBJMQZHUPHSMI-UHFFFAOYSA-N 2 0 297.443 1.881 50 0 CDAARP Cc1cc(F)ccc1CN1CCO[C@@H](CC[NH3+])C1 ZINC000097823438 358801052 /nfs/dbraw/zinc/80/10/52/358801052.db2.gz VDKHESUVGPNGLD-AWEZNQCLSA-N 2 0 252.333 1.684 50 0 CDAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000299738847 375199643 /nfs/dbraw/zinc/19/96/43/375199643.db2.gz HGDZUPIHBXPBAJ-KGLIPLIRSA-N 2 0 267.417 1.319 50 0 CDAARP Cc1cccc(N2CC[NH+](CCOCC[NH3+])CC2)c1 ZINC000093232448 135079785 /nfs/dbraw/zinc/07/97/85/135079785.db2.gz MUHBAEDRXIQFQI-UHFFFAOYSA-N 2 0 263.385 1.092 50 0 CDAARP Cc1nonc1OCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067965872 175804920 /nfs/dbraw/zinc/80/49/20/175804920.db2.gz PEUGHKLZABILBK-UHFFFAOYSA-N 2 0 294.399 1.659 50 0 CDAARP CC1=C[C@H](C)[C@H](C[NH2+]CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000019771012 276186256 /nfs/dbraw/zinc/18/62/56/276186256.db2.gz VYWIPLBVFRKSKW-XHSDSOJGSA-N 2 0 265.445 1.720 50 0 CDAARP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000090635764 277190622 /nfs/dbraw/zinc/19/06/22/277190622.db2.gz XQUKBFCAOSSEKZ-GFCCVEGCSA-N 2 0 269.389 1.337 50 0 CDAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263260958 290391238 /nfs/dbraw/zinc/39/12/38/290391238.db2.gz MHHISMLNTUUUNR-XHSDSOJGSA-N 2 0 293.455 1.851 50 0 CDAARP O=C(NCC1([NH+]2CCCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000534660514 328339527 /nfs/dbraw/zinc/33/95/27/328339527.db2.gz CNUVOFQDKMZPQJ-UHFFFAOYSA-N 2 0 293.455 1.901 50 0 CDAARP Cc1nccn1CCC(=O)N[C@H](c1nccn1C)C1CC1 ZINC000534656784 328340503 /nfs/dbraw/zinc/34/05/03/328340503.db2.gz JBJJVUABMBDZSX-AWEZNQCLSA-N 2 0 287.367 1.583 50 0 CDAARP OC[C@@]12C[NH2+]C[C@H]1C[N@@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711455 1159446240 /nfs/dbraw/zinc/44/62/40/1159446240.db2.gz YZVUTMBLYXAVPR-BBRMVZONSA-N 2 0 264.413 1.613 50 0 CDAARP C[C@H]([NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12)c1ccccc1-n1cccn1 ZINC000952973682 706149452 /nfs/dbraw/zinc/14/94/52/706149452.db2.gz XVRFHVJKPYNDQW-ARLBYUKCSA-N 2 0 282.391 1.988 50 0 CDAARP CC1(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000426722440 710808073 /nfs/dbraw/zinc/80/80/73/710808073.db2.gz MYVIQARGXNCWTN-OAHLLOKOSA-N 2 0 252.402 1.879 50 0 CDAARP C[NH+](C)CC(C)(C)NC(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426419671 230417813 /nfs/dbraw/zinc/41/78/13/230417813.db2.gz CPJCCCFNOZSODJ-UHFFFAOYSA-N 2 0 293.411 1.023 50 0 CDAARP CC(C)[N@@H+](CC(=O)N1CCN(C)CC1)C[C@@H]1C[C@H]1C ZINC000093193983 351321201 /nfs/dbraw/zinc/32/12/01/351321201.db2.gz MFJCFWOMZNGVGY-KGLIPLIRSA-N 2 0 267.417 1.127 50 0 CDAARP CC(=O)N1CCC([N@@H+]2CCC[C@@H](Cn3ccnc3)C2)CC1 ZINC000065501365 357545388 /nfs/dbraw/zinc/54/53/88/357545388.db2.gz CCXSCWZALNOZHB-HNNXBMFYSA-N 2 0 290.411 1.606 50 0 CDAARP NC(=[NH2+])SCc1ccc(CSC(N)=[NH2+])cc1 ZINC000003845289 361581697 /nfs/dbraw/zinc/58/16/97/361581697.db2.gz PWMGHDCLHPWGBX-UHFFFAOYSA-N 2 0 254.384 1.940 50 0 CDAARP COc1coc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1=O ZINC000358509022 367736049 /nfs/dbraw/zinc/73/60/49/367736049.db2.gz PRGQPBGKCLPOBQ-UHFFFAOYSA-N 2 0 278.352 1.224 50 0 CDAARP C[NH+](C)CCC(=O)c1ccc(C(=O)CC[NH+](C)C)cc1 ZINC000001590728 369753520 /nfs/dbraw/zinc/75/35/20/369753520.db2.gz XHZSGPPAOYRXKQ-UHFFFAOYSA-N 2 0 276.380 1.955 50 0 CDAARP C[C@@H](C[NH3+])Oc1cccc(C[N@H+](C)C2CCN(C)CC2)c1 ZINC000299787043 372761493 /nfs/dbraw/zinc/76/14/93/372761493.db2.gz OURHKPZSIYJBBQ-AWEZNQCLSA-N 2 0 291.439 1.939 50 0 CDAARP CC(C)COc1ccc(CNC(=[NH2+])NC(N)=[NH2+])cc1Cl ZINC000000494763 169655885 /nfs/dbraw/zinc/65/58/85/169655885.db2.gz MWNXWDMQBOTMKX-UHFFFAOYSA-N 2 0 297.790 1.882 50 0 CDAARP COCCC[N@@H+]1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000065529411 390552210 /nfs/dbraw/zinc/55/22/10/390552210.db2.gz UPWTZWOOIOSNAI-ZDUSSCGKSA-N 2 0 272.458 1.830 50 0 CDAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000261698838 140376771 /nfs/dbraw/zinc/37/67/71/140376771.db2.gz JFBQEAXNCNMZDF-OAHLLOKOSA-N 2 0 275.396 1.016 50 0 CDAARP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[NH2+]C[C@H]1O)CCC2 ZINC000072159208 176329255 /nfs/dbraw/zinc/32/92/55/176329255.db2.gz HNXAQKJJYIVOEU-GOEBONIOSA-N 2 0 290.407 1.244 50 0 CDAARP CC[C@H](C(=O)N1CC[NH+](CC2CCC2)CC1)[N@H+](C)CC ZINC000952974661 615601394 /nfs/dbraw/zinc/60/13/94/615601394.db2.gz QJFSGROMGVNPKV-OAHLLOKOSA-N 2 0 281.444 1.661 50 0 CDAARP [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)c2ccccc21 ZINC000888097862 617761087 /nfs/dbraw/zinc/76/10/87/617761087.db2.gz QWPDFWQCZSPPQA-UPJWGTAASA-N 2 0 273.380 1.593 50 0 CDAARP O[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]CC1 ZINC000382640609 711924389 /nfs/dbraw/zinc/92/43/89/711924389.db2.gz WBXMMAOLENGZQW-KRWDZBQOSA-N 2 0 289.423 1.313 50 0 CDAARP C[NH+](C)CC(C)(C)CNc1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000252550364 362393625 /nfs/dbraw/zinc/39/36/25/362393625.db2.gz SLXCUXCMBXQWRM-TXEJJXNPSA-N 2 0 277.416 1.681 50 0 CDAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000091391819 180144706 /nfs/dbraw/zinc/14/47/06/180144706.db2.gz HYDDFZUEMOQMGY-CABCVRRESA-N 2 0 275.396 1.109 50 0 CDAARP CC(C)C[NH+]1CCC([NH2+]CCc2nnc(N)s2)CC1 ZINC000067843115 357631404 /nfs/dbraw/zinc/63/14/04/357631404.db2.gz IJYRFQLGZWITLI-UHFFFAOYSA-N 2 0 283.445 1.373 50 0 CDAARP O=C(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)NC1CC1 ZINC000097200667 358188776 /nfs/dbraw/zinc/18/87/76/358188776.db2.gz UYJIWDYWROWDJL-ZDUSSCGKSA-N 2 0 288.395 1.484 50 0 CDAARP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)C2)c(-c2ccncc2)n1 ZINC000089749873 366927751 /nfs/dbraw/zinc/92/77/51/366927751.db2.gz GTFJQSOXYDLZJR-CYBMUJFWSA-N 2 0 285.395 1.523 50 0 CDAARP C[N@@H+]1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000095420733 374923505 /nfs/dbraw/zinc/92/35/05/374923505.db2.gz SCZOYHXMZOPBKA-OAHLLOKOSA-N 2 0 251.418 1.545 50 0 CDAARP CCC[NH+]1CCC(Cc2noc([C@@H]3C=CC[NH2+]3)n2)CC1 ZINC000067677208 377200944 /nfs/dbraw/zinc/20/09/44/377200944.db2.gz OLZGAXOYPQDNSH-ZDUSSCGKSA-N 2 0 276.384 1.935 50 0 CDAARP CCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245289666 378045826 /nfs/dbraw/zinc/04/58/26/378045826.db2.gz DIIJGYMCKOAPRN-MJBXVCDLSA-N 2 0 267.373 1.163 50 0 CDAARP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000085375075 284782073 /nfs/dbraw/zinc/78/20/73/284782073.db2.gz SZWKQOVVAZILNZ-AGIUHOORSA-N 2 0 253.390 1.057 50 0 CDAARP C[NH+]1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000019201095 390226475 /nfs/dbraw/zinc/22/64/75/390226475.db2.gz OIKPAHGRDVKVFV-CYBMUJFWSA-N 2 0 253.777 1.587 50 0 CDAARP C[C@@H](C(N)=O)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821646 135077247 /nfs/dbraw/zinc/07/72/47/135077247.db2.gz INZHNGFEGXCBED-ZDUSSCGKSA-N 2 0 290.411 1.494 50 0 CDAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072130775 176321895 /nfs/dbraw/zinc/32/18/95/176321895.db2.gz UCHWMERQPLVHJA-LSDHHAIUSA-N 2 0 289.427 1.045 50 0 CDAARP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000240540879 297099282 /nfs/dbraw/zinc/09/92/82/297099282.db2.gz GPXXOKMAIMUDTG-SNPRPXQTSA-N 2 0 277.412 1.023 50 0 CDAARP CCCCC[NH+]1CCC(Cn2cc(C[NH2+]C)nn2)CC1 ZINC000048284570 923146136 /nfs/dbraw/zinc/14/61/36/923146136.db2.gz OKADBNYYLZUJMC-UHFFFAOYSA-N 2 0 279.432 1.900 50 0 CDAARP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3)cn2)CC1 ZINC000030660859 356750955 /nfs/dbraw/zinc/75/09/55/356750955.db2.gz XBQKTXMQEACCFS-UHFFFAOYSA-N 2 0 297.406 1.518 50 0 CDAARP CC[N@@H+]1CCC[C@H](N2CC[NH+](C(C)C)[C@H](C)C2)C1 ZINC000042976592 357083756 /nfs/dbraw/zinc/08/37/56/357083756.db2.gz BCSJDSWAOGLBCU-CABCVRRESA-N 2 0 253.434 1.885 50 0 CDAARP C[NH2+]CC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000072468145 357836970 /nfs/dbraw/zinc/83/69/70/357836970.db2.gz SGDFCEGSIAIUFL-CQSZACIVSA-N 2 0 295.814 1.640 50 0 CDAARP COCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000242302101 376021584 /nfs/dbraw/zinc/02/15/84/376021584.db2.gz YPNWMTLDJLDHDB-KBUPBQIOSA-N 2 0 282.428 1.358 50 0 CDAARP C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2C=CCCC2)CC1 ZINC000178732502 391809136 /nfs/dbraw/zinc/80/91/36/391809136.db2.gz RXWJXZNFHZUSMX-GJZGRUSLSA-N 2 0 277.412 1.334 50 0 CDAARP C[C@@H]1CC(C)(C)[NH2+]CCN[C@H](C)CC(C)(C)[NH2+]CCN1 ZINC000019939484 287219949 /nfs/dbraw/zinc/21/99/49/287219949.db2.gz XHCNINMOALIGKM-ZIAGYGMSSA-N 2 0 284.492 1.473 50 0 CDAARP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000299739969 287334791 /nfs/dbraw/zinc/33/47/91/287334791.db2.gz UGMYLEPVWSKQPS-NDBYEHHHSA-N 2 0 253.390 1.090 50 0 CDAARP O=C(C1CC[NH2+]CC1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534591456 328318321 /nfs/dbraw/zinc/31/83/21/328318321.db2.gz CQEDDJFMDNXEHO-UHFFFAOYSA-N 2 0 297.468 1.026 50 0 CDAARP O=C(NCC1([NH+]2CCCC2)CCCC1)C1CC[NH2+]CC1 ZINC000534590203 328317848 /nfs/dbraw/zinc/31/78/48/328317848.db2.gz YNMPPBXJLIGXHZ-UHFFFAOYSA-N 2 0 279.428 1.511 50 0 CDAARP CC[C@H](Cc1ccco1)[NH2+]CCN1CC[NH2+]CC1 ZINC000952870359 910421620 /nfs/dbraw/zinc/42/16/20/910421620.db2.gz YCJNTXHSIPFHLM-CYBMUJFWSA-N 2 0 251.374 1.096 50 0 CDAARP CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001506408379 975153377 /nfs/dbraw/zinc/15/33/77/975153377.db2.gz RVYOBOLXVCJWMS-AWEZNQCLSA-N 2 0 281.444 1.566 50 0 CDAARP O[C@]1(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000216596229 358952475 /nfs/dbraw/zinc/95/24/75/358952475.db2.gz SSBRBXOPDPGDLY-MRXNPFEDSA-N 2 0 293.386 1.062 50 0 CDAARP CCC[NH+]1CCC(C[NH2+]Cc2cnc(C)nc2)CC1 ZINC000356932934 366639133 /nfs/dbraw/zinc/63/91/33/366639133.db2.gz ZRCQBCXXFPFIJA-UHFFFAOYSA-N 2 0 262.401 1.997 50 0 CDAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000037644596 369502376 /nfs/dbraw/zinc/50/23/76/369502376.db2.gz FPJPTROESSINCF-ZDUSSCGKSA-N 2 0 285.395 1.903 50 0 CDAARP CCn1ncnc1CNCc1ccccc1-n1ccnc1 ZINC000638421079 369946200 /nfs/dbraw/zinc/94/62/00/369946200.db2.gz PLHJHHNOOXZHDS-UHFFFAOYSA-N 2 0 282.351 1.774 50 0 CDAARP CC(C)SCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000375876484 371012769 /nfs/dbraw/zinc/01/27/69/371012769.db2.gz QLYBNKLNYBDHDW-CQSZACIVSA-N 2 0 299.484 1.366 50 0 CDAARP Cc1cc(N2CCC[N@H+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000244900019 376023220 /nfs/dbraw/zinc/02/32/20/376023220.db2.gz ZUPAMLROIQTGSE-OAHLLOKOSA-N 2 0 275.396 1.939 50 0 CDAARP c1cc2cnccc2c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000426486171 391466430 /nfs/dbraw/zinc/46/64/30/391466430.db2.gz ZGJYKZUGTVTVPE-QGZVFWFLSA-N 2 0 296.418 1.714 50 0 CDAARP COCC[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020455216 171208478 /nfs/dbraw/zinc/20/84/78/171208478.db2.gz YZNDEMLNKWKAHE-CVEARBPZSA-N 2 0 290.407 1.302 50 0 CDAARP Cc1cccc(CSCCC[NH2+]C[C@@]2(O)CC[NH2+]C2)c1 ZINC000077318861 177251672 /nfs/dbraw/zinc/25/16/72/177251672.db2.gz XIGCAFMYAUOIGE-INIZCTEOSA-N 2 0 294.464 1.932 50 0 CDAARP Cc1nnc(CN2CCC3(C2)CC[NH2+]CC3)s1 ZINC000299791001 678089554 /nfs/dbraw/zinc/08/95/54/678089554.db2.gz CGPDMIHPJKDBIQ-UHFFFAOYSA-N 2 0 252.387 1.422 50 0 CDAARP C[C@@H]1CC(C[C@@H]([NH3+])C2(O)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000958527998 678652071 /nfs/dbraw/zinc/65/20/71/678652071.db2.gz LOZNDGXDZWMNDC-NQBHXWOUSA-N 2 0 256.390 1.022 50 0 CDAARP C/C=C(\C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000820390617 925522199 /nfs/dbraw/zinc/52/21/99/925522199.db2.gz SEUYDHDGYNLQKG-HZRBCOPISA-N 2 0 293.455 1.877 50 0 CDAARP Cc1nccn1C[C@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000821495626 925588197 /nfs/dbraw/zinc/58/81/97/925588197.db2.gz SXZIDXQEAFDENB-ZDUSSCGKSA-N 2 0 273.384 1.407 50 0 CDAARP Cc1nccn1C[C@H](C)[NH2+]CCCOC1CC[NH+](C)CC1 ZINC000823764920 925727917 /nfs/dbraw/zinc/72/79/17/925727917.db2.gz OYLXZTCLCUNOHO-AWEZNQCLSA-N 2 0 294.443 1.671 50 0 CDAARP OC[C@H]1CCC[N@H+](CCNc2cc[nH+]c3ccccc23)C1 ZINC000828711304 926169283 /nfs/dbraw/zinc/16/92/83/926169283.db2.gz ZGLXCXAGYBZTQN-AWEZNQCLSA-N 2 0 285.391 1.773 50 0 CDAARP OC[C@@H]1C[NH2+]CCC12CCN(CC[NH+]1CCCCC1)CC2 ZINC000219619518 930891660 /nfs/dbraw/zinc/89/16/60/930891660.db2.gz AUNTZKKTQKNTNN-INIZCTEOSA-N 2 0 295.471 1.156 50 0 CDAARP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](CC1CCC1)C2 ZINC000222782589 230398763 /nfs/dbraw/zinc/39/87/63/230398763.db2.gz SNISBODOUULBRR-INIZCTEOSA-N 2 0 292.427 1.484 50 0 CDAARP C(C1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCC1 ZINC000095453958 539088096 /nfs/dbraw/zinc/08/80/96/539088096.db2.gz VWBAIPXNLUVUGK-UHFFFAOYSA-N 2 0 252.402 1.973 50 0 CDAARP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000685939656 539045756 /nfs/dbraw/zinc/04/57/56/539045756.db2.gz NDYSVAOORRUXHO-WCVJEAGWSA-N 2 0 265.445 1.932 50 0 CDAARP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC000091692836 180228812 /nfs/dbraw/zinc/22/88/12/180228812.db2.gz KFBKPIVODDPZQT-UHFFFAOYSA-N 2 0 260.381 1.983 50 0 CDAARP CC1(C)C[NH+]=C(NCCNC2=[NH+]CC(C)(C)S2)S1 ZINC000004207778 356021582 /nfs/dbraw/zinc/02/15/82/356021582.db2.gz YUNXGYREQIZSFQ-UHFFFAOYSA-N 2 0 286.470 1.928 50 0 CDAARP C[NH+](C)C[C@@]1(O)CCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000072432471 357835186 /nfs/dbraw/zinc/83/51/86/357835186.db2.gz BANFVMMRQSBSPV-INIZCTEOSA-N 2 0 273.380 1.666 50 0 CDAARP O=C1OCC[C@H]1N1CC[C@@H](CNc2ccccn2)C1 ZINC000097200605 358188426 /nfs/dbraw/zinc/18/84/26/358188426.db2.gz FDMBSGRNRXRPPA-NWDGAFQWSA-N 2 0 261.325 1.131 50 0 CDAARP CC(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511633 367678377 /nfs/dbraw/zinc/67/83/77/367678377.db2.gz IWMRMUHLKWTPGN-ULQDDVLXSA-N 2 0 295.471 1.560 50 0 CDAARP C[N@@H+]1CCCN(Cc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000299802616 372773278 /nfs/dbraw/zinc/77/32/78/372773278.db2.gz SWFWRPDVNGWRDD-UHFFFAOYSA-N 2 0 275.396 1.306 50 0 CDAARP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000241316734 376018404 /nfs/dbraw/zinc/01/84/04/376018404.db2.gz LULCOYMQYGPPGL-ZQDZILKHSA-N 2 0 279.428 1.317 50 0 CDAARP CCCC[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244659791 376033821 /nfs/dbraw/zinc/03/38/21/376033821.db2.gz HIRWQPVJWSGVEY-QLFBSQMISA-N 2 0 281.444 1.837 50 0 CDAARP CC[NH+]1CCN(CCC[NH2+]Cc2cccs2)CC1 ZINC000045796179 175383887 /nfs/dbraw/zinc/38/38/87/175383887.db2.gz KWPSHHLYTKLTBN-UHFFFAOYSA-N 2 0 267.442 1.865 50 0 CDAARP O=C(NC1(C[NH+]2CCCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000534672991 328348588 /nfs/dbraw/zinc/34/85/88/328348588.db2.gz XLKAVOBFQHDFKT-UHFFFAOYSA-N 2 0 293.455 1.901 50 0 CDAARP O=C(NC[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000534662740 328350719 /nfs/dbraw/zinc/35/07/19/328350719.db2.gz OWIZEKYZJDMOMQ-CQSZACIVSA-N 2 0 293.455 1.757 50 0 CDAARP CNC(=O)C[C@H]1CC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000670455288 483031100 /nfs/dbraw/zinc/03/11/00/483031100.db2.gz OFACTCPBFUZCEE-CQSZACIVSA-N 2 0 293.455 1.851 50 0 CDAARP CN(CCc1noc(C2CC2)n1)CC[C@H]1CCC[N@@H+]1C ZINC000252487735 682052233 /nfs/dbraw/zinc/05/22/33/682052233.db2.gz IAWFDSJGPPTILR-CYBMUJFWSA-N 2 0 278.400 1.906 50 0 CDAARP Cc1nc(CN2CCC[C@](O)(C[NH+](C)C)CC2)co1 ZINC000072168759 683208691 /nfs/dbraw/zinc/20/86/91/683208691.db2.gz SLANNVLZTMOBTQ-CQSZACIVSA-N 2 0 267.373 1.262 50 0 CDAARP O=S1(=O)C=C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067689073 683213832 /nfs/dbraw/zinc/21/38/32/683213832.db2.gz JKQVUTWETYHFCZ-ZDUSSCGKSA-N 2 0 284.425 1.199 50 0 CDAARP Cn1ccnc1C[N@H+](C)[C@H]1C[C@H]2C[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001704350790 1177696698 /nfs/dbraw/zinc/69/66/98/1177696698.db2.gz OSKWEPCJQHEZHB-NMWPEEMBSA-N 2 0 276.428 1.971 50 0 CDAARP OC[C@@H]1CCC[N@H+](CCNc2cc[nH+]c3ccccc23)C1 ZINC000828711305 926168449 /nfs/dbraw/zinc/16/84/49/926168449.db2.gz ZGLXCXAGYBZTQN-CQSZACIVSA-N 2 0 285.391 1.773 50 0 CDAARP O=C(c1ccccn1)[C@@H]1CCC[N@H+](CCc2ncc[nH]2)C1 ZINC001529191999 969009608 /nfs/dbraw/zinc/00/96/08/969009608.db2.gz MTPZBCIMBNFWAJ-CYBMUJFWSA-N 2 0 284.363 1.942 50 0 CDAARP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000585088418 362016584 /nfs/dbraw/zinc/01/65/84/362016584.db2.gz CPPHQXLEJGKPIF-VXGBXAGGSA-N 2 0 255.406 1.303 50 0 CDAARP [NH3+]Cc1cccnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000035719725 356845584 /nfs/dbraw/zinc/84/55/84/356845584.db2.gz IAXVLZKBCMQYAS-UHFFFAOYSA-N 2 0 282.391 1.863 50 0 CDAARP C[NH2+]Cc1nnc(SC[C@@H]2CCC[C@H]([NH3+])C2)n1C ZINC000426495539 360676591 /nfs/dbraw/zinc/67/65/91/360676591.db2.gz AHJLXKLIQGYKBL-ZJUUUORDSA-N 2 0 269.418 1.144 50 0 CDAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000299738715 375199600 /nfs/dbraw/zinc/19/96/00/375199600.db2.gz FMRYHZJVWARLMI-BFHYXJOUSA-N 2 0 267.417 1.447 50 0 CDAARP C[N@@H+]1CCN(C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000019518537 390227896 /nfs/dbraw/zinc/22/78/96/390227896.db2.gz XKXGVLNUARUGMT-MRXNPFEDSA-N 2 0 259.397 1.727 50 0 CDAARP CC[NH+]1CCN(CC[N@@H+]2CCc3sccc3C2)CC1 ZINC000020537575 171241156 /nfs/dbraw/zinc/24/11/56/171241156.db2.gz IVFSLXKLYCYKJJ-UHFFFAOYSA-N 2 0 279.453 1.744 50 0 CDAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH3+])CC1 ZINC000019872682 276388043 /nfs/dbraw/zinc/38/80/43/276388043.db2.gz IWPIHYQVHUYKJX-LLVKDONJSA-N 2 0 251.349 1.987 50 0 CDAARP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[NH2+]1 ZINC000384764824 685467472 /nfs/dbraw/zinc/46/74/72/685467472.db2.gz ALLKYINLKZDBOZ-AWEZNQCLSA-N 2 0 259.353 1.583 50 0 CDAARP C[NH+](C)C[C@@H]1CC[N@@H+](C2CCCCCC2)C[C@H]1O ZINC000823701089 925722541 /nfs/dbraw/zinc/72/25/41/925722541.db2.gz NDGWNBFZSFOHMX-DZGCQCFKSA-N 2 0 254.418 1.954 50 0 CDAARP [NH3+][C@H]1C[C@@H](c2cc(NCC[NH+]3CCCC3)ncn2)C1 ZINC000244673539 361854781 /nfs/dbraw/zinc/85/47/81/361854781.db2.gz HQWAZNZVUWLRDE-TXEJJXNPSA-N 2 0 261.373 1.189 50 0 CDAARP C[C@H](c1cnccn1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000253370471 361925912 /nfs/dbraw/zinc/92/59/12/361925912.db2.gz RGQIXNORXCMUOF-HOSILWTGSA-N 2 0 272.396 1.954 50 0 CDAARP Cn1cncc1CCNc1ncnc2c1cnn2C(C)(C)C ZINC000097373089 356093642 /nfs/dbraw/zinc/09/36/42/356093642.db2.gz YAHNACBFFFMDLW-UHFFFAOYSA-N 2 0 299.382 1.969 50 0 CDAARP c1ccc(C[NH+]2CCN([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000042783276 357080332 /nfs/dbraw/zinc/08/03/32/357080332.db2.gz SEVHMEGDMJXTTB-MRXNPFEDSA-N 2 0 259.397 1.556 50 0 CDAARP C[NH+]1CCC(N(CC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC000058040442 357375154 /nfs/dbraw/zinc/37/51/54/357375154.db2.gz BKSDSLZUZYPMAO-UHFFFAOYSA-N 2 0 257.378 1.276 50 0 CDAARP C[NH+](C)Cc1csc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC000097288750 358764778 /nfs/dbraw/zinc/76/47/78/358764778.db2.gz QGCDUGOFLUFTNR-JSGCOSHPSA-N 2 0 279.453 1.994 50 0 CDAARP C[N@H+](CCCC[NH+]1CCOCC1)Cc1cccc(O)c1 ZINC000215066155 358872015 /nfs/dbraw/zinc/87/20/15/358872015.db2.gz OVZWLSNTTDJVKM-UHFFFAOYSA-N 2 0 278.396 1.936 50 0 CDAARP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000252523109 367784475 /nfs/dbraw/zinc/78/44/75/367784475.db2.gz BWXSJQFCYXRHLQ-CQSZACIVSA-N 2 0 261.369 1.747 50 0 CDAARP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCC[NH+](C)C)c1C ZINC000003422570 375689410 /nfs/dbraw/zinc/68/94/10/375689410.db2.gz MTZURZQNFVIBHJ-INIZCTEOSA-N 2 0 294.439 1.893 50 0 CDAARP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000238852835 376014653 /nfs/dbraw/zinc/01/46/53/376014653.db2.gz HHSHRDJOGQTWNB-BMFZPTHFSA-N 2 0 293.455 1.850 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261940555 285391774 /nfs/dbraw/zinc/39/17/74/285391774.db2.gz NDOWNQCNCHVZFE-ILXRZTDVSA-N 2 0 293.455 1.565 50 0 CDAARP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388931226 397809296 /nfs/dbraw/zinc/80/92/96/397809296.db2.gz QNBXZNXFHBQBFT-BFHYXJOUSA-N 2 0 258.406 1.092 50 0 CDAARP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000568531454 294056067 /nfs/dbraw/zinc/05/60/67/294056067.db2.gz DVVKOQVHOUSRFK-AWEZNQCLSA-N 2 0 288.395 1.181 50 0 CDAARP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757216238 577036130 /nfs/dbraw/zinc/03/61/30/577036130.db2.gz ZISZUACPNHCOLW-RCWTZXSCSA-N 2 0 265.323 1.244 50 0 CDAARP c1ncn(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067742038 694821598 /nfs/dbraw/zinc/82/15/98/694821598.db2.gz DPVWEWQTZJMMOQ-UHFFFAOYSA-N 2 0 277.416 1.570 50 0 CDAARP CCCCc1nc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c[nH]1 ZINC000426517844 694829301 /nfs/dbraw/zinc/82/93/01/694829301.db2.gz NTJWXMLHJRJERB-UHFFFAOYSA-N 3 0 292.427 1.707 50 0 CDAARP CC[C@H](C(=O)NC[C@@H]1C[NH2+]Cc2ccccc21)[NH+](C)C ZINC000952852325 910406908 /nfs/dbraw/zinc/40/69/08/910406908.db2.gz WAGIHBITGQITOL-DZGCQCFKSA-N 2 0 275.396 1.330 50 0 CDAARP CCc1nccn1C[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC001506421625 975158026 /nfs/dbraw/zinc/15/80/26/975158026.db2.gz RVBZYUGNCVODJT-GFCCVEGCSA-N 2 0 251.374 1.586 50 0 CDAARP C[NH+]1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000096876704 185119483 /nfs/dbraw/zinc/11/94/83/185119483.db2.gz QDLZMYQKJQGKPP-UHFFFAOYSA-N 2 0 273.424 1.898 50 0 CDAARP CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000179071173 362249760 /nfs/dbraw/zinc/24/97/60/362249760.db2.gz LAKDQKFRKFQYMR-ZDUSSCGKSA-N 2 0 291.395 1.061 50 0 CDAARP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000091426865 180151996 /nfs/dbraw/zinc/15/19/96/180151996.db2.gz LBXIJMJXHPFOIR-IAGOWNOFSA-N 2 0 276.424 1.905 50 0 CDAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(OC)c1OC ZINC000010434701 356258448 /nfs/dbraw/zinc/25/84/48/356258448.db2.gz GKYFPWYMTWZHAE-UHFFFAOYSA-N 2 0 294.395 1.802 50 0 CDAARP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072473965 357837865 /nfs/dbraw/zinc/83/78/65/357837865.db2.gz FPUXTZFOFKBLRP-BONVTDFDSA-N 2 0 290.411 1.025 50 0 CDAARP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCCC1 ZINC000082126680 296106706 /nfs/dbraw/zinc/10/67/06/296106706.db2.gz WAZAWKDZOGTZBO-ZDUSSCGKSA-N 2 0 265.401 1.073 50 0 CDAARP COCCn1cncc1CNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC000299778417 372754651 /nfs/dbraw/zinc/75/46/51/372754651.db2.gz PQIADJSFLAHTBC-AWEZNQCLSA-N 2 0 294.399 1.053 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261709170 296313598 /nfs/dbraw/zinc/31/35/98/296313598.db2.gz MHHISMLNTUUUNR-OAGGEKHMSA-N 2 0 293.455 1.851 50 0 CDAARP Cn1ccnc1C[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000244734920 256867553 /nfs/dbraw/zinc/86/75/53/256867553.db2.gz NNZUKSMWAROWMD-BETUJISGSA-N 2 0 262.401 1.902 50 0 CDAARP Cc1cccc(OCCOCC[NH2+]CCC[NH+](C)C)c1 ZINC000008749808 170354246 /nfs/dbraw/zinc/35/42/46/170354246.db2.gz CXIZOTHTKRQSOM-UHFFFAOYSA-N 2 0 280.412 1.932 50 0 CDAARP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085375071 279151004 /nfs/dbraw/zinc/15/10/04/279151004.db2.gz SZWKQOVVAZILNZ-UPJWGTAASA-N 2 0 253.390 1.057 50 0 CDAARP CNc1nc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000534582578 328312609 /nfs/dbraw/zinc/31/26/09/328312609.db2.gz HAALROBEUUJQBS-HNNXBMFYSA-N 2 0 299.422 1.694 50 0 CDAARP O[C@H](CC[NH+]1CCC2(CC1)C[NH2+]CCO2)c1ccccc1 ZINC000534651100 328337325 /nfs/dbraw/zinc/33/73/25/328337325.db2.gz ORRSVNDXSZTLFL-MRXNPFEDSA-N 2 0 290.407 1.565 50 0 CDAARP CNC(=O)C[C@H]1CC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670435446 482971893 /nfs/dbraw/zinc/97/18/93/482971893.db2.gz DMOUBNIPOVETCN-GFCCVEGCSA-N 2 0 281.444 1.754 50 0 CDAARP [NH3+]C[C@@H]1C[NH2+]C[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757218612 574909564 /nfs/dbraw/zinc/90/95/64/574909564.db2.gz VHILDOGCIBXCCO-YTWAJWBKSA-N 2 0 265.323 1.101 50 0 CDAARP CC/C=C(\C)C[NH+]1CCC(n2cc(C[NH2+]C)nn2)CC1 ZINC000019224716 725219437 /nfs/dbraw/zinc/21/94/37/725219437.db2.gz UXSFTRMNMHIJCM-WLRTZDKTSA-N 2 0 277.416 1.991 50 0 CDAARP Cc1nccn1CC[C@H](C)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426393109 725410896 /nfs/dbraw/zinc/41/08/96/725410896.db2.gz ZDSOBDNMXOCBKB-AWEZNQCLSA-N 2 0 292.427 1.425 50 0 CDAARP C[NH+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000823662617 925719123 /nfs/dbraw/zinc/71/91/23/925719123.db2.gz DHWWLBGRRRCYNC-CYBMUJFWSA-N 2 0 253.390 1.025 50 0 CDAARP C[NH+]1CCC(O)(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000823761184 925725075 /nfs/dbraw/zinc/72/50/75/925725075.db2.gz QXXPMGILKDBAQC-UHFFFAOYSA-N 3 0 283.460 1.342 50 0 CDAARP COCC1(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000824346823 925816989 /nfs/dbraw/zinc/81/69/89/925816989.db2.gz FTTZYLCBQPZRRG-CQSZACIVSA-N 2 0 269.433 1.029 50 0 CDAARP O=C1CC[C@H]([NH+]2CCC(CC[NH+]3CCCC3)CC2)CCN1 ZINC000828305677 926100183 /nfs/dbraw/zinc/10/01/83/926100183.db2.gz WJAGISJVOCDCKF-INIZCTEOSA-N 2 0 293.455 1.853 50 0 CDAARP CCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554583 342626132 /nfs/dbraw/zinc/62/61/32/342626132.db2.gz KGWHZXJYGUFUSF-GXTWGEPZSA-N 2 0 267.417 1.589 50 0 CDAARP C[NH+]1CCC2(C[NH2+]C[C@H]2c2nnc(C3CC3)[nH]2)CC1 ZINC000085347596 179028736 /nfs/dbraw/zinc/02/87/36/179028736.db2.gz KQRYKVOCISOWJN-NSHDSACASA-N 2 0 261.373 1.081 50 0 CDAARP CC1(C)CC([NH2+]CCc2nc(N)cc(=O)[nH]2)CC(C)(C)[NH2+]1 ZINC000584888401 349347334 /nfs/dbraw/zinc/34/73/34/349347334.db2.gz TWHLPHBMRSXOOD-UHFFFAOYSA-N 2 0 293.415 1.206 50 0 CDAARP CC[NH+]1CCC(C[NH2+][C@H](C)COC)(N(C)C)CC1 ZINC000584899892 349361645 /nfs/dbraw/zinc/36/16/45/349361645.db2.gz LENOWUJFLLFYHR-CYBMUJFWSA-N 2 0 257.422 1.027 50 0 CDAARP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000036135355 356862159 /nfs/dbraw/zinc/86/21/59/356862159.db2.gz GKKPZIXEUBYVOK-HNNXBMFYSA-N 2 0 275.396 1.629 50 0 CDAARP O[C@@]1(C[NH2+]CC2CCOCC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063847813 357517621 /nfs/dbraw/zinc/51/76/21/357517621.db2.gz BPNGCXPZKJOLAT-HZPDHXFCSA-N 2 0 282.428 1.382 50 0 CDAARP [NH3+]C1CC(c2cc(NCc3ncc[nH]3)nc(C3CC3)n2)C1 ZINC000223509382 359431356 /nfs/dbraw/zinc/43/13/56/359431356.db2.gz UAWGSJGCKJXTMD-UHFFFAOYSA-N 2 0 284.367 1.894 50 0 CDAARP Nc1cc[nH+]cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000178006789 364869696 /nfs/dbraw/zinc/86/96/96/364869696.db2.gz UNHWTSQYVQRJDA-UHFFFAOYSA-N 2 0 288.395 1.612 50 0 CDAARP [NH3+][C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569272 190057608 /nfs/dbraw/zinc/05/76/08/190057608.db2.gz GBDOBAJGPYINKA-MGPQQGTHSA-N 2 0 261.369 1.320 50 0 CDAARP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCCOCc1ccccc1)C2 ZINC001772706945 1159441141 /nfs/dbraw/zinc/44/11/41/1159441141.db2.gz VLRRZJFNQUNBEF-SJORKVTESA-N 2 0 290.407 1.107 50 0 CDAARP C[NH+](C)C1(CNC(=O)[C@@]2(C)CC[N@H+](C)C2)CCCCC1 ZINC000823754932 925724233 /nfs/dbraw/zinc/72/42/33/925724233.db2.gz FNOHJTLPSUEXGZ-HNNXBMFYSA-N 2 0 281.444 1.709 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000020255294 935729768 /nfs/dbraw/zinc/72/97/68/935729768.db2.gz KITJBJWMFSVESH-AWEZNQCLSA-N 2 0 290.411 1.793 50 0 CDAARP Cn1ccnc1CC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001506424941 975159056 /nfs/dbraw/zinc/15/90/56/975159056.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 2 0 276.428 1.770 50 0 CDAARP CNC(=O)CC[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000585139270 342216594 /nfs/dbraw/zinc/21/65/94/342216594.db2.gz RKJXABGCXRFPER-OAHLLOKOSA-N 2 0 281.444 1.709 50 0 CDAARP C[C@H](Cn1cncn1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067712700 357620262 /nfs/dbraw/zinc/62/02/62/357620262.db2.gz SAPRGHZDJHXNFI-CYBMUJFWSA-N 2 0 277.416 1.569 50 0 CDAARP Cc1nc(C2CC[NH2+]CC2)cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000067894852 357636438 /nfs/dbraw/zinc/63/64/38/357636438.db2.gz WCOAFKKCXKNEEY-OKILXGFUSA-N 2 0 287.411 1.193 50 0 CDAARP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000097139537 357991729 /nfs/dbraw/zinc/99/17/29/357991729.db2.gz FNMMGAFWXNPXCO-VXGBXAGGSA-N 2 0 256.390 1.506 50 0 CDAARP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)C1CC1 ZINC000097200740 358188792 /nfs/dbraw/zinc/18/87/92/358188792.db2.gz TVXLYYBEJFGTDP-ZDUSSCGKSA-N 2 0 288.395 1.436 50 0 CDAARP COc1ccccc1COC[C@H](O)C[NH2+]CCC[NH+](C)C ZINC000003418298 375031245 /nfs/dbraw/zinc/03/12/45/375031245.db2.gz WZPNBRVUKJBSTB-OAHLLOKOSA-N 2 0 296.411 1.114 50 0 CDAARP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333297 376017695 /nfs/dbraw/zinc/01/76/95/376017695.db2.gz FCULVMSQGYSJCJ-SOUVJXGZSA-N 2 0 295.427 1.728 50 0 CDAARP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000299740210 284695056 /nfs/dbraw/zinc/69/50/56/284695056.db2.gz XATJOCDLWKDGDC-MELADBBJSA-N 2 0 267.417 1.304 50 0 CDAARP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000240540880 297099302 /nfs/dbraw/zinc/09/93/02/297099302.db2.gz GPXXOKMAIMUDTG-VHDGCEQUSA-N 2 0 277.412 1.023 50 0 CDAARP C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]1 ZINC000295007048 297282311 /nfs/dbraw/zinc/28/23/11/297282311.db2.gz LTXPECZXWKMTAZ-WBMJQRKESA-N 2 0 287.407 1.245 50 0 CDAARP COc1ccc([C@@H]([NH3+])C2(O)CC[NH2+]CC2)c(C)c1 ZINC000958528914 617279174 /nfs/dbraw/zinc/27/91/74/617279174.db2.gz YMDHZFHAPLDSJS-CYBMUJFWSA-N 2 0 250.342 1.118 50 0 CDAARP CC1(C)CN(C(=O)CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000952845052 910401955 /nfs/dbraw/zinc/40/19/55/910401955.db2.gz MOIJMARYLTZYHH-CYBMUJFWSA-N 2 0 267.417 1.352 50 0 CDAARP CC[NH+]1CCC([NH2+]CCc2nncn2C(C)C)CC1 ZINC000823107064 925673387 /nfs/dbraw/zinc/67/33/87/925673387.db2.gz NGNXJPUPRHJUHS-UHFFFAOYSA-N 2 0 265.405 1.475 50 0 CDAARP CCSC[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000823421478 925696034 /nfs/dbraw/zinc/69/60/34/925696034.db2.gz SHKUPGXFUOCFFT-LBPRGKRZSA-N 2 0 260.447 1.517 50 0 CDAARP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000823693045 925723843 /nfs/dbraw/zinc/72/38/43/925723843.db2.gz IIWGXPAXWXLVGG-CYBMUJFWSA-N 2 0 255.406 1.271 50 0 CDAARP COCCOCC[N@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000824447764 925822687 /nfs/dbraw/zinc/82/26/87/925822687.db2.gz WNHOLVLPTRVANW-ZDUSSCGKSA-N 2 0 258.406 1.312 50 0 CDAARP CSCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000824901226 925841505 /nfs/dbraw/zinc/84/15/05/925841505.db2.gz CMLOVSCCGSTBSL-NWDGAFQWSA-N 2 0 285.457 1.057 50 0 CDAARP CC(C)C[C@H](C[NH3+])CC(=O)OCC[NH+]1CCCC1 ZINC000585139424 931042924 /nfs/dbraw/zinc/04/29/24/931042924.db2.gz BJKOBXQGYCAFBF-ZDUSSCGKSA-N 2 0 256.390 1.637 50 0 CDAARP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000052060529 363163438 /nfs/dbraw/zinc/16/34/38/363163438.db2.gz BGVNOPVRWBFKBW-UHFFFAOYSA-N 2 0 287.407 1.846 50 0 CDAARP C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCC1)CC2 ZINC000065373798 357533386 /nfs/dbraw/zinc/53/33/86/357533386.db2.gz SRGBOTIWQHSJIW-UHFFFAOYSA-N 2 0 279.428 1.417 50 0 CDAARP C[C@@H](Cc1c[nH]c2ccccc12)NC(=[NH2+])NC(N)=[NH2+] ZINC000000173319 169563848 /nfs/dbraw/zinc/56/38/48/169563848.db2.gz UMCUSGNBKYXNDW-QMMMGPOBSA-N 2 0 258.329 1.106 50 0 CDAARP [NH3+]C1CCN(CCC(=O)c2ccc(Cl)nc2)CC1 ZINC000012647966 260063231 /nfs/dbraw/zinc/06/32/31/260063231.db2.gz HEPZQQJHMHCTRB-UHFFFAOYSA-N 2 0 267.760 1.731 50 0 CDAARP [NH3+][C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000070495215 175956488 /nfs/dbraw/zinc/95/64/88/175956488.db2.gz OPMISMDFNBVCGR-HNNXBMFYSA-N 2 0 273.380 1.211 50 0 CDAARP CCSCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063846831 280038038 /nfs/dbraw/zinc/03/80/38/280038038.db2.gz CBMKAGVJVZAIJY-ZIAGYGMSSA-N 2 0 272.458 1.709 50 0 CDAARP C[C@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCC[NH2+]1 ZINC000188692017 525210083 /nfs/dbraw/zinc/21/00/83/525210083.db2.gz FSDOWXQIXHHTOR-MRXNPFEDSA-N 2 0 273.380 1.438 50 0 CDAARP [NH3+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)c2ccccc21 ZINC000888097863 617761382 /nfs/dbraw/zinc/76/13/82/617761382.db2.gz QWPDFWQCZSPPQA-XQQFMLRXSA-N 2 0 273.380 1.593 50 0 CDAARP Cc1cc(=O)[nH]c(CC[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000067692257 357619096 /nfs/dbraw/zinc/61/90/96/357619096.db2.gz GMOPENNHBXCWGM-UHFFFAOYSA-N 2 0 292.427 1.331 50 0 CDAARP CC[N@@H+]1CCC[C@H]1CNc1cc(CC[NH3+])nc(C)n1 ZINC000067966790 357641207 /nfs/dbraw/zinc/64/12/07/357641207.db2.gz DKVIHULQEBBUFP-ZDUSSCGKSA-N 2 0 263.389 1.182 50 0 CDAARP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000097139533 357991742 /nfs/dbraw/zinc/99/17/42/357991742.db2.gz FNMMGAFWXNPXCO-NEPJUHHUSA-N 2 0 256.390 1.506 50 0 CDAARP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000195554393 358556682 /nfs/dbraw/zinc/55/66/82/358556682.db2.gz UPHGLGSOJMBQSD-CQSZACIVSA-N 2 0 267.417 1.591 50 0 CDAARP COc1cc2c(cc1OC)C[N@H+](CCCC[NH3+])CC2 ZINC000011953292 359968047 /nfs/dbraw/zinc/96/80/47/359968047.db2.gz HGKUCNGRZSPDQU-UHFFFAOYSA-N 2 0 264.369 1.801 50 0 CDAARP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C)C1)C2 ZINC000089920315 366969299 /nfs/dbraw/zinc/96/92/99/366969299.db2.gz RMMRYJGOFAFSJB-MRVWCRGKSA-N 2 0 276.380 1.681 50 0 CDAARP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757216158 574908134 /nfs/dbraw/zinc/90/81/34/574908134.db2.gz YCCRSESSTVICKV-VLEAKVRGSA-N 2 0 265.323 1.244 50 0 CDAARP CCc1ncc(C[NH2+]CCNc2cc[nH+]cc2C)cn1 ZINC000952968259 615774897 /nfs/dbraw/zinc/77/48/97/615774897.db2.gz BRRDPVJAZZKSEB-UHFFFAOYSA-N 2 0 271.368 1.366 50 0 CDAARP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@](C)(C1)C2 ZINC000952984451 616392919 /nfs/dbraw/zinc/39/29/19/616392919.db2.gz LCHXAJWORFJRRT-CWRNSKLLSA-N 2 0 279.428 1.271 50 0 CDAARP CCCCc1nc(CN2CCOC[C@@H](C[NH+](C)C)C2)c[nH]1 ZINC000584900521 341999622 /nfs/dbraw/zinc/99/96/22/341999622.db2.gz OAKCLQXLXQVIQK-AWEZNQCLSA-N 2 0 294.443 1.762 50 0 CDAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3cccc4nonc43)C[C@H]21 ZINC000584886917 349345894 /nfs/dbraw/zinc/34/58/94/349345894.db2.gz VDFKZOSMVCHATE-XYYAHUGASA-N 2 0 272.352 1.462 50 0 CDAARP C[NH+](C)Cc1csc(C[N@H+](C)C[C@H]2COCCO2)c1 ZINC000216513521 358948202 /nfs/dbraw/zinc/94/82/02/358948202.db2.gz NIORBSCNFUKQSK-ZDUSSCGKSA-N 2 0 284.425 1.657 50 0 CDAARP CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000127700150 367267200 /nfs/dbraw/zinc/26/72/00/367267200.db2.gz IBEGMCWPUDBZRN-NSHDSACASA-N 2 0 262.357 1.220 50 0 CDAARP COCC[N@H+]1[C@H](C)CN(c2cccc(C)n2)C[C@@H]1C ZINC000097163388 390803216 /nfs/dbraw/zinc/80/32/16/390803216.db2.gz IFRIXEXQPVQJTF-OKILXGFUSA-N 2 0 263.385 1.935 50 0 CDAARP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1COC1 ZINC000408519741 390849485 /nfs/dbraw/zinc/84/94/85/390849485.db2.gz XMLFUFHZXUREBE-UHFFFAOYSA-N 2 0 283.460 1.512 50 0 CDAARP CN1CC[N@H+](C)C[C@H]1CC[NH+](C)Cc1ccccc1 ZINC000039538075 174169464 /nfs/dbraw/zinc/16/94/64/174169464.db2.gz YTMDVXWKDNFCLM-MRXNPFEDSA-N 2 0 261.413 1.754 50 0 CDAARP C[NH+]1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000019201130 277111458 /nfs/dbraw/zinc/11/14/58/277111458.db2.gz XJCCOKPIBODTOM-CYBMUJFWSA-N 2 0 253.777 1.587 50 0 CDAARP [NH3+]C[C@H]1CN(Cc2cc(C[NH+]3CCCC3)cs2)CCO1 ZINC000065395268 303430403 /nfs/dbraw/zinc/43/04/03/303430403.db2.gz NUXKHPHMYUVCNY-AWEZNQCLSA-N 2 0 295.452 1.503 50 0 CDAARP CC[C@@H](CNC(=O)N(C)Cc1nc(C)c[nH]1)[N@H+](C)CC ZINC000534653355 328338545 /nfs/dbraw/zinc/33/85/45/328338545.db2.gz ODFMKYUPXFPHSX-LBPRGKRZSA-N 2 0 281.404 1.590 50 0 CDAARP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757216156 574908338 /nfs/dbraw/zinc/90/83/38/574908338.db2.gz YCCRSESSTVICKV-NAKRPEOUSA-N 2 0 265.323 1.244 50 0 CDAARP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091545354 180186270 /nfs/dbraw/zinc/18/62/70/180186270.db2.gz CGOYEHCGEWDXTK-CHWSQXEVSA-N 2 0 261.369 1.814 50 0 CDAARP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261635747 359546734 /nfs/dbraw/zinc/54/67/34/359546734.db2.gz DEFYUULXLSEVAW-OLZOCXBDSA-N 2 0 269.433 1.693 50 0 CDAARP COC(=O)c1cccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000255188353 364815428 /nfs/dbraw/zinc/81/54/28/364815428.db2.gz JNDDOVXBBWTWRF-HDJSIYSDSA-N 2 0 262.353 1.833 50 0 CDAARP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)c(-c2ccncc2)n1 ZINC000089749872 366927658 /nfs/dbraw/zinc/92/76/58/366927658.db2.gz GTFJQSOXYDLZJR-ZDUSSCGKSA-N 2 0 285.395 1.523 50 0 CDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299757368 372745857 /nfs/dbraw/zinc/74/58/57/372745857.db2.gz IGBIADUEVDGXDI-OIPACUDHSA-N 2 0 299.418 1.709 50 0 CDAARP CCN1CCC[C@@](O)(C[N@@H+]2CCCC[C@H]2CCO)C1 ZINC000253388866 373681275 /nfs/dbraw/zinc/68/12/75/373681275.db2.gz MTPYSZIMCYAYGJ-GJZGRUSLSA-N 2 0 270.417 1.070 50 0 CDAARP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000299740209 375201060 /nfs/dbraw/zinc/20/10/60/375201060.db2.gz XATJOCDLWKDGDC-BFHYXJOUSA-N 2 0 267.417 1.304 50 0 CDAARP CCc1cc(N(C)C[C@H]2CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000065407892 390551425 /nfs/dbraw/zinc/55/14/25/390551425.db2.gz GWIRDNCBSIEZAJ-LBPRGKRZSA-N 2 0 277.416 1.493 50 0 CDAARP CC[NH+](CC)CCN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219279643 391053807 /nfs/dbraw/zinc/05/38/07/391053807.db2.gz ACXPVKGJFFAIHG-UHFFFAOYSA-N 2 0 292.431 1.042 50 0 CDAARP C[NH+]1CCC(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000097776295 289873165 /nfs/dbraw/zinc/87/31/65/289873165.db2.gz QGWKAVNIEBJMAU-GJZGRUSLSA-N 2 0 273.380 1.069 50 0 CDAARP Cc1nccn1C[C@@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000821495625 925587145 /nfs/dbraw/zinc/58/71/45/925587145.db2.gz SXZIDXQEAFDENB-CYBMUJFWSA-N 2 0 273.384 1.407 50 0 CDAARP O=C(C[NH+]1CCCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000827911323 925991551 /nfs/dbraw/zinc/99/15/51/925991551.db2.gz XLPNESXOGCOPRY-UHFFFAOYSA-N 2 0 293.455 1.949 50 0 CDAARP C[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000126235713 187226025 /nfs/dbraw/zinc/22/60/25/187226025.db2.gz NWTYNZZNBMUWLZ-GXTWGEPZSA-N 2 0 261.369 1.287 50 0 CDAARP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000091394227 180145702 /nfs/dbraw/zinc/14/57/02/180145702.db2.gz JFVQQBOBSJMSDM-CABCVRRESA-N 2 0 275.396 1.629 50 0 CDAARP COCC[N@H+](C)C[C@@H]1CN(c2cc[nH+]cc2C)C[C@@H]1CO ZINC000091526413 180178693 /nfs/dbraw/zinc/17/86/93/180178693.db2.gz HGOMLPNQAZBYJL-HUUCEWRRSA-N 2 0 293.411 1.013 50 0 CDAARP C[NH2+]CC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262668092 358782138 /nfs/dbraw/zinc/78/21/38/358782138.db2.gz LMKAKMZDKLXGGS-UHFFFAOYSA-N 2 0 297.443 1.136 50 0 CDAARP c1cncc(CN2CCC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102521649 358880950 /nfs/dbraw/zinc/88/09/50/358880950.db2.gz OIPCSVVSOJHXHS-FVQHAEBGSA-N 2 0 286.423 1.055 50 0 CDAARP CCc1c(C)[nH+]c(N)nc1N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000095353104 374888047 /nfs/dbraw/zinc/88/80/47/374888047.db2.gz QDCRGUVNELBZCJ-CMPLNLGQSA-N 2 0 261.373 1.118 50 0 CDAARP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000245418552 285238385 /nfs/dbraw/zinc/23/83/85/285238385.db2.gz GPAZVHSRZKTBAT-MELADBBJSA-N 2 0 267.417 1.447 50 0 CDAARP CCCc1cnc(C)nc1N1CC[C@@H]([NH3+])[C@@H](OC)C1 ZINC000071639714 397907351 /nfs/dbraw/zinc/90/73/51/397907351.db2.gz JLFUHZYTFKRLPY-OLZOCXBDSA-N 2 0 264.373 1.290 50 0 CDAARP COc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1Cl ZINC000020968566 171282740 /nfs/dbraw/zinc/28/27/40/171282740.db2.gz LXFXDIFKFRCGAY-UHFFFAOYSA-N 2 0 283.803 1.343 50 0 CDAARP CC[NH+](CC)CCC[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000065492161 276098058 /nfs/dbraw/zinc/09/80/58/276098058.db2.gz QPOXZVUVIWXHRA-AWEZNQCLSA-N 2 0 250.390 1.893 50 0 CDAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000094459749 288303577 /nfs/dbraw/zinc/30/35/77/288303577.db2.gz ZRAXDDXGRDMKBG-YIYPIFLZSA-N 2 0 265.401 1.199 50 0 CDAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000240540881 288304375 /nfs/dbraw/zinc/30/43/75/288304375.db2.gz GPXXOKMAIMUDTG-YUELXQCFSA-N 2 0 277.412 1.023 50 0 CDAARP CN(Cc1ncc[nH]1)C(=O)NCCCC[NH+]1CCCC1 ZINC000534670852 328347252 /nfs/dbraw/zinc/34/72/52/328347252.db2.gz DJRAKIQLVFSPDY-UHFFFAOYSA-N 2 0 279.388 1.427 50 0 CDAARP Nc1cc[nH+]cc1-c1cc2c(c(F)c1)O[C@@H](C[NH3+])C2 ZINC000071278968 545504998 /nfs/dbraw/zinc/50/49/98/545504998.db2.gz UADHMDOACSVWKL-SNVBAGLBSA-N 2 0 259.284 1.732 50 0 CDAARP CCN(C[C@@H]1CC[N@H+](CC)C1)C(=O)C1([NH3+])CCCC1 ZINC000952991354 615203683 /nfs/dbraw/zinc/20/36/83/615203683.db2.gz XUSLOBKFLXECHW-CYBMUJFWSA-N 2 0 267.417 1.448 50 0 CDAARP CCc1nccn1C[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426411541 743364517 /nfs/dbraw/zinc/36/45/17/743364517.db2.gz SGSNBQCRDIZVAH-CQSZACIVSA-N 2 0 276.428 1.910 50 0 CDAARP C[C@](O)(C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000383298905 745044829 /nfs/dbraw/zinc/04/48/29/745044829.db2.gz MUVZXKOEFIGQEJ-ULQDDVLXSA-N 2 0 274.408 1.955 50 0 CDAARP CC(C)C[N@H+](C1CN(C(=O)C2CC2)C1)C1CCN(C)CC1 ZINC000581799658 898359698 /nfs/dbraw/zinc/35/96/98/898359698.db2.gz FNKADIVRBIEIGN-UHFFFAOYSA-N 2 0 293.455 1.659 50 0 CDAARP Fc1ccccc1OCC[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000952867299 910462506 /nfs/dbraw/zinc/46/25/06/910462506.db2.gz MNBYVFZHDIZMCH-CNDDSTCGSA-N 2 0 250.317 1.260 50 0 CDAARP CC(C)[N@@H+]1CCC[C@H](C[NH+](C)CCn2cnnc2)C1 ZINC000823688779 925721155 /nfs/dbraw/zinc/72/11/55/925721155.db2.gz RHKQVJTZWXSQMS-CQSZACIVSA-N 2 0 265.405 1.330 50 0 CDAARP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000585089115 930912571 /nfs/dbraw/zinc/91/25/71/930912571.db2.gz HDBRVQVYZMGVHZ-UONOGXRCSA-N 2 0 267.417 1.223 50 0 CDAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000262661895 362015720 /nfs/dbraw/zinc/01/57/20/362015720.db2.gz GLOAGJCUJXZTHD-FRRDWIJNSA-N 2 0 253.390 1.070 50 0 CDAARP [NH3+]C[C@@H]1CN(Cc2cc(C[NH+]3CCCC3)cs2)CCO1 ZINC000065395267 357536764 /nfs/dbraw/zinc/53/67/64/357536764.db2.gz NUXKHPHMYUVCNY-CQSZACIVSA-N 2 0 295.452 1.503 50 0 CDAARP c1cc(OC[C@H]2CCC[NH2+]C2)ccc1CN1CCOCC1 ZINC000299777231 372755561 /nfs/dbraw/zinc/75/55/61/372755561.db2.gz BKSSCABHNAATLV-INIZCTEOSA-N 2 0 290.407 1.897 50 0 CDAARP C[NH2+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299739501 375199953 /nfs/dbraw/zinc/19/99/53/375199953.db2.gz PKDZGVWNVDQEIN-KGLIPLIRSA-N 2 0 267.417 1.319 50 0 CDAARP Cc1nc[nH]c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000077322132 177252894 /nfs/dbraw/zinc/25/28/94/177252894.db2.gz HPNFLUVEGVQVOG-UHFFFAOYSA-N 2 0 278.400 1.262 50 0 CDAARP CC1=C[C@H](C)[C@H](C[NH2+]CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000019771013 278509150 /nfs/dbraw/zinc/50/91/50/278509150.db2.gz VYWIPLBVFRKSKW-JYJNAYRXSA-N 2 0 265.445 1.720 50 0 CDAARP Cc1nc(CC[NH3+])cc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000067675866 293256539 /nfs/dbraw/zinc/25/65/39/293256539.db2.gz SQGJMJJJEJKRFV-UHFFFAOYSA-N 2 0 289.427 1.351 50 0 CDAARP Cc1ccc([C@H](C)NC(=O)CN(C)C2CC[NH2+]CC2)cn1 ZINC000534639340 328335173 /nfs/dbraw/zinc/33/51/73/328335173.db2.gz DNDNFWPUDMWAKD-ZDUSSCGKSA-N 2 0 290.411 1.251 50 0 CDAARP Cc1ccc([C@@H](C)NC(=O)CN(C)C2CC[NH2+]CC2)cn1 ZINC000534639339 328335232 /nfs/dbraw/zinc/33/52/32/328335232.db2.gz DNDNFWPUDMWAKD-CYBMUJFWSA-N 2 0 290.411 1.251 50 0 CDAARP Cc1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])s1 ZINC000534658841 328341239 /nfs/dbraw/zinc/34/12/39/328341239.db2.gz TZELBAJXWHIGMJ-PTEHBNRSSA-N 2 0 251.399 1.929 50 0 CDAARP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CSCCSC1 ZINC000952968264 749844662 /nfs/dbraw/zinc/84/46/62/749844662.db2.gz KSCZDCAGNKLBND-LBPRGKRZSA-N 2 0 260.472 1.909 50 0 CDAARP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOC2)(N(C)C)CC1 ZINC000823107366 925673775 /nfs/dbraw/zinc/67/37/75/925673775.db2.gz HUUYKUORYDAKIB-CQSZACIVSA-N 2 0 269.433 1.171 50 0 CDAARP CC(C)[NH+]1CCC(C(=O)NCC[C@H]2CCCC[NH2+]2)CC1 ZINC001506398032 975147876 /nfs/dbraw/zinc/14/78/76/975147876.db2.gz SCWCHAQYPUZYQO-OAHLLOKOSA-N 2 0 281.444 1.755 50 0 CDAARP CCSC[C@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584891054 349350091 /nfs/dbraw/zinc/35/00/91/349350091.db2.gz LJCXJQAJIYQWKK-ZDUSSCGKSA-N 2 0 273.490 1.744 50 0 CDAARP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000016124113 356431582 /nfs/dbraw/zinc/43/15/82/356431582.db2.gz DUNDIGFYPOUEEK-CYBMUJFWSA-N 2 0 297.443 1.975 50 0 CDAARP C[NH+]1CCC(NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000020143112 356527544 /nfs/dbraw/zinc/52/75/44/356527544.db2.gz LYUICTQOSXRXID-UHFFFAOYSA-N 2 0 253.434 1.979 50 0 CDAARP C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)NCCc1c[nH]cn1)C2 ZINC000426470677 360672594 /nfs/dbraw/zinc/67/25/94/360672594.db2.gz PIHQDYLCNUEFGW-JSGCOSHPSA-N 2 0 291.399 1.078 50 0 CDAARP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000241316732 376019913 /nfs/dbraw/zinc/01/99/13/376019913.db2.gz LULCOYMQYGPPGL-AJNGGQMLSA-N 2 0 279.428 1.317 50 0 CDAARP c1ccc(C[NH+]2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000020072368 170982850 /nfs/dbraw/zinc/98/28/50/170982850.db2.gz JNKCMBDUXKJKFI-QGZVFWFLSA-N 2 0 273.424 1.804 50 0 CDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3cc[nH]c3n1)C2 ZINC000534574461 328309486 /nfs/dbraw/zinc/30/94/86/328309486.db2.gz NVVXGBWEWRGHFE-IMRBUKKESA-N 2 0 256.353 1.732 50 0 CDAARP [NH3+]CC1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000534579054 328311284 /nfs/dbraw/zinc/31/12/84/328311284.db2.gz HCSBYOGVEVHERP-UHFFFAOYSA-N 2 0 271.364 1.699 50 0 CDAARP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000534672294 328348167 /nfs/dbraw/zinc/34/81/67/328348167.db2.gz JSGSNAWQGUQHNI-CQSZACIVSA-N 2 0 281.444 1.757 50 0 CDAARP CC[C@H](NC(=O)Cn1ccnc1C)c1nc(C)c[nH]1 ZINC000670437961 482979787 /nfs/dbraw/zinc/97/97/87/482979787.db2.gz PQBDLFVIGVHBNK-NSHDSACASA-N 2 0 261.329 1.491 50 0 CDAARP CC(=O)N(C)[C@H]1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067964889 519448770 /nfs/dbraw/zinc/44/87/70/519448770.db2.gz NLYCVHDUVNOERV-INIZCTEOSA-N 2 0 293.455 1.851 50 0 CDAARP [NH3+]C[C@@H]1CC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209908 577035821 /nfs/dbraw/zinc/03/58/21/577035821.db2.gz GPSDDLHWXJHUCF-MMWGEVLESA-N 2 0 265.323 1.244 50 0 CDAARP CCN(C[C@H]1CC[N@H+](CC)C1)C(=O)C1([NH3+])CCCC1 ZINC000952991356 615270966 /nfs/dbraw/zinc/27/09/66/615270966.db2.gz XUSLOBKFLXECHW-ZDUSSCGKSA-N 2 0 267.417 1.448 50 0 CDAARP Cc1nncn1CC[NH+](C)C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000823688777 925720674 /nfs/dbraw/zinc/72/06/74/925720674.db2.gz RCVBLHQWWRRRNS-OAHLLOKOSA-N 2 0 279.432 1.639 50 0 CDAARP O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C=CC[NH2+]1 ZINC000827690922 925955906 /nfs/dbraw/zinc/95/59/06/925955906.db2.gz MZVZTDOQSONIAQ-AWEZNQCLSA-N 2 0 291.420 1.357 50 0 CDAARP Cc1cc(C)c2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCN3C)c2c1 ZINC001506399571 975148982 /nfs/dbraw/zinc/14/89/82/975148982.db2.gz AQOJMRGOVBEBSZ-HNNXBMFYSA-N 2 0 298.434 1.931 50 0 CDAARP CC1(C)CC(CC(=O)N2CC[C@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC001506425495 975159592 /nfs/dbraw/zinc/15/95/92/975159592.db2.gz BDHNRMJALCZNMF-GFCCVEGCSA-N 2 0 281.444 1.741 50 0 CDAARP CC(C)[C@H]1[N@H+](Cc2ccccc2)C[C@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944108 539046072 /nfs/dbraw/zinc/04/60/72/539046072.db2.gz LVUNZYDAQWYWGR-QBPKDAKJSA-N 2 0 274.408 1.995 50 0 CDAARP CCc1cnc(C)nc1NC[C@H](O)C[NH+]1CCCCCC1 ZINC000065493375 357544862 /nfs/dbraw/zinc/54/48/62/357544862.db2.gz NDGFUJFLZKJCPD-HNNXBMFYSA-N 2 0 292.427 1.996 50 0 CDAARP c1nc(SCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n[nH]1 ZINC000067725728 357621046 /nfs/dbraw/zinc/62/10/46/357621046.db2.gz CSDHIJGQRZFHHE-UHFFFAOYSA-N 2 0 295.456 1.799 50 0 CDAARP CN(C)C(=O)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200692 358188472 /nfs/dbraw/zinc/18/84/72/358188472.db2.gz YPRSIARTUYADAX-ZDUSSCGKSA-N 2 0 276.384 1.294 50 0 CDAARP COCCN1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000089414541 359283746 /nfs/dbraw/zinc/28/37/46/359283746.db2.gz MGXNOBIZLZYUCP-ZDUSSCGKSA-N 2 0 258.431 1.582 50 0 CDAARP Cn1c2cc(F)ccc2nc1N1CCC(O)(C[NH3+])CC1 ZINC000515187010 360447173 /nfs/dbraw/zinc/44/71/73/360447173.db2.gz GVNWNXNMHFCQER-UHFFFAOYSA-N 2 0 278.331 1.002 50 0 CDAARP CCCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252513903 367726494 /nfs/dbraw/zinc/72/64/94/367726494.db2.gz AQWQWFFHNJJHCD-UKRRQHHQSA-N 2 0 281.444 1.979 50 0 CDAARP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299738465 375199620 /nfs/dbraw/zinc/19/96/20/375199620.db2.gz BDLHYPLZEHHBHX-GDBMZVCRSA-N 2 0 289.423 1.575 50 0 CDAARP O[C@@]1(C[NH2+]CCSCc2ccccc2)CCC[NH2+]C1 ZINC000077517672 177277784 /nfs/dbraw/zinc/27/77/84/177277784.db2.gz LVKQKCLMDFSJNP-HNNXBMFYSA-N 2 0 280.437 1.624 50 0 CDAARP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000249988741 279151583 /nfs/dbraw/zinc/15/15/83/279151583.db2.gz SZWKQOVVAZILNZ-FRRDWIJNSA-N 2 0 253.390 1.057 50 0 CDAARP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000534649341 328343888 /nfs/dbraw/zinc/34/38/88/328343888.db2.gz CGVXHULNVUWRNV-OAHLLOKOSA-N 2 0 293.455 1.853 50 0 CDAARP OC[C@]12C[NH2+]C[C@H]1C[N@@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711469 1159445924 /nfs/dbraw/zinc/44/59/24/1159445924.db2.gz YZVUTMBLYXAVPR-XJKSGUPXSA-N 2 0 264.413 1.613 50 0 CDAARP COc1ccc2c(C[N@@H+]3CC[C@H](C[NH3+])C3)cn(C)c2c1 ZINC000071749579 758867983 /nfs/dbraw/zinc/86/79/83/758867983.db2.gz QJOZLHOTRLWWPP-GFCCVEGCSA-N 2 0 273.380 1.968 50 0 CDAARP O[C@H](C[NH2+]CCc1ccccc1)C[NH+]1CCCCC1 ZINC000312083906 768888956 /nfs/dbraw/zinc/88/89/56/768888956.db2.gz VKFRUJGLKJYKNF-MRXNPFEDSA-N 2 0 262.397 1.666 50 0 CDAARP COc1ccc2c(C[N@@H+]3CC[C@@H](C[NH3+])C3)cn(C)c2c1 ZINC000071749580 768898467 /nfs/dbraw/zinc/89/84/67/768898467.db2.gz QJOZLHOTRLWWPP-LBPRGKRZSA-N 2 0 273.380 1.968 50 0 CDAARP C[NH+]1CCC(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC000073244799 768995850 /nfs/dbraw/zinc/99/58/50/768995850.db2.gz SKLHMQZFKXNUPB-UHFFFAOYSA-N 2 0 267.417 1.320 50 0 CDAARP Cc1cc(N2CCC[N@H+](CCn3cncn3)CC2)cc[nH+]1 ZINC000252482351 771235069 /nfs/dbraw/zinc/23/50/69/771235069.db2.gz DDQLDLZGDXYQSE-UHFFFAOYSA-N 2 0 286.383 1.194 50 0 CDAARP C[NH2+]C[C@@H]1CCC[N@H+](CCCn2ccnc2C)C1 ZINC000244678647 361857423 /nfs/dbraw/zinc/85/74/23/361857423.db2.gz IHNGQYRMKWWXBO-AWEZNQCLSA-N 2 0 250.390 1.513 50 0 CDAARP C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]1 ZINC000295007041 291079558 /nfs/dbraw/zinc/07/95/58/291079558.db2.gz LTXPECZXWKMTAZ-LRDDRELGSA-N 2 0 287.407 1.245 50 0 CDAARP C[N@@H+]1CCC[C@H]1CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000097436786 358776379 /nfs/dbraw/zinc/77/63/79/358776379.db2.gz MOJJJMKLLHDEFG-AWEZNQCLSA-N 2 0 261.369 1.246 50 0 CDAARP Clc1ccc(N2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)nc1 ZINC000102775612 358890916 /nfs/dbraw/zinc/89/09/16/358890916.db2.gz YMBDVQKAYRLKJR-WDNDVIMCSA-N 2 0 292.814 1.322 50 0 CDAARP OC[C@H]1C[N@H+](Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000409421500 360231747 /nfs/dbraw/zinc/23/17/47/360231747.db2.gz ZLJCQDUIHBAHHP-CQSZACIVSA-N 2 0 278.371 1.620 50 0 CDAARP Cc1ncsc1C[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426369459 360659942 /nfs/dbraw/zinc/65/99/42/360659942.db2.gz XQGHVVQQRDNKLL-UHFFFAOYSA-N 2 0 294.468 1.711 50 0 CDAARP O=C(c1ccccc1)N1CCC([N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000426396671 360663895 /nfs/dbraw/zinc/66/38/95/360663895.db2.gz USAUIIJRELVPNA-DOTOQJQBSA-N 2 0 299.418 1.585 50 0 CDAARP C[C@H](CNC(=O)NC[C@H](C)[NH+](C)C1CC1)[N@H+](C)C1CC1 ZINC000089900971 366961376 /nfs/dbraw/zinc/96/13/76/366961376.db2.gz RLNHVMIYFVIJAV-TXEJJXNPSA-N 2 0 282.432 1.251 50 0 CDAARP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000238852836 376014504 /nfs/dbraw/zinc/01/45/04/376014504.db2.gz HHSHRDJOGQTWNB-IMJJTQAJSA-N 2 0 293.455 1.850 50 0 CDAARP OCC[NH2+]CCCCCC[NH2+]Cc1ccccc1 ZINC000002029182 169769395 /nfs/dbraw/zinc/76/93/95/169769395.db2.gz YNJBQDNTRABNCU-UHFFFAOYSA-N 2 0 250.386 1.919 50 0 CDAARP CCC[NH+]1CCC(Cc2noc([C@H]3C=CC[NH2+]3)n2)CC1 ZINC000067677211 175783377 /nfs/dbraw/zinc/78/33/77/175783377.db2.gz OLZGAXOYPQDNSH-CYBMUJFWSA-N 2 0 276.384 1.935 50 0 CDAARP CC(C)(C)OC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]C1 ZINC000090411768 277205137 /nfs/dbraw/zinc/20/51/37/277205137.db2.gz LBZJQOBUIXWLIZ-LLVKDONJSA-N 2 0 254.374 1.450 50 0 CDAARP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067726497 277390520 /nfs/dbraw/zinc/39/05/20/277390520.db2.gz NNUYZIFHLHGZKP-AWEZNQCLSA-N 2 0 281.444 1.742 50 0 CDAARP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000299738548 295314088 /nfs/dbraw/zinc/31/40/88/295314088.db2.gz CDHWWXDRFKCWHZ-RBSFLKMASA-N 2 0 279.428 1.448 50 0 CDAARP O=C([C@H]1CCC[NH2+]CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000534649340 328343870 /nfs/dbraw/zinc/34/38/70/328343870.db2.gz CGVXHULNVUWRNV-HNNXBMFYSA-N 2 0 293.455 1.853 50 0 CDAARP CC[N@@H+]1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000067855425 778302131 /nfs/dbraw/zinc/30/21/31/778302131.db2.gz VQDWRQCBVZKFRR-ZDUSSCGKSA-N 2 0 250.390 1.644 50 0 CDAARP COc1ccc(-c2c[nH+]ccc2N)cc1C[C@@H](C[NH3+])CO ZINC000952850154 910405530 /nfs/dbraw/zinc/40/55/30/910405530.db2.gz UUCSISVTZAEELE-NSHDSACASA-N 2 0 287.363 1.279 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H](C)C[NH+]1CCCC1 ZINC000827627144 925952017 /nfs/dbraw/zinc/95/20/17/925952017.db2.gz GHRXGQKWDBXGLS-CQSZACIVSA-N 2 0 290.411 1.072 50 0 CDAARP C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000124579571 187144201 /nfs/dbraw/zinc/14/42/01/187144201.db2.gz IGHMFRILLQZTMV-CQSZACIVSA-N 2 0 287.407 1.716 50 0 CDAARP C[NH2+]C[C@H]1CCC[N@H+](CCCn2ccnc2C)C1 ZINC000244678648 361857086 /nfs/dbraw/zinc/85/70/86/361857086.db2.gz IHNGQYRMKWWXBO-CQSZACIVSA-N 2 0 250.390 1.513 50 0 CDAARP CC(C)[N@@H+]1CCCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000095996130 539088250 /nfs/dbraw/zinc/08/82/50/539088250.db2.gz SJLWCXCJDQATFR-CQSZACIVSA-N 2 0 253.390 1.057 50 0 CDAARP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000191353028 362421623 /nfs/dbraw/zinc/42/16/23/362421623.db2.gz CJZQUHVFHBWUHT-HZPDHXFCSA-N 2 0 287.407 1.601 50 0 CDAARP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3CCC3)CC2)C1 ZINC000078950028 350881224 /nfs/dbraw/zinc/88/12/24/350881224.db2.gz XSNTXNRKTXIXHL-OAHLLOKOSA-N 2 0 251.418 1.498 50 0 CDAARP C[NH+](C)CCCNCc1ccc(OCC[NH+](C)C)cc1 ZINC000032126186 356775629 /nfs/dbraw/zinc/77/56/29/356775629.db2.gz XKFTZCZJQJVUJX-UHFFFAOYSA-N 2 0 279.428 1.668 50 0 CDAARP Fc1ccc(N2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000415135186 363778815 /nfs/dbraw/zinc/77/88/15/363778815.db2.gz FPUXLOHVCKYBHO-OAHLLOKOSA-N 2 0 277.387 1.994 50 0 CDAARP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000240471629 376017299 /nfs/dbraw/zinc/01/72/99/376017299.db2.gz GDILOLXJPWOZLM-AGIUHOORSA-N 2 0 291.361 1.839 50 0 CDAARP C[C@@H](C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077519419 278220009 /nfs/dbraw/zinc/22/00/09/278220009.db2.gz FUYDDDYABPZCIZ-HNNXBMFYSA-N 2 0 288.439 1.934 50 0 CDAARP Cc1nc([C@H]2CCC[NH2+]C2)cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000067878920 293391078 /nfs/dbraw/zinc/39/10/78/293391078.db2.gz XPGRULXTRRRYJJ-MELADBBJSA-N 2 0 287.411 1.193 50 0 CDAARP CC[C@H](CNC(=O)N(C)Cc1nc(C)c[nH]1)[N@H+](C)CC ZINC000534653352 328338527 /nfs/dbraw/zinc/33/85/27/328338527.db2.gz ODFMKYUPXFPHSX-GFCCVEGCSA-N 2 0 281.404 1.590 50 0 CDAARP Cc1nc(CN2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)n(C)c1C ZINC000670443514 482988464 /nfs/dbraw/zinc/98/84/64/482988464.db2.gz VOWLQVCGHDGYGH-GJZGRUSLSA-N 2 0 276.428 1.953 50 0 CDAARP COc1ncccc1C[NH2+]CCNc1cc[nH+]cc1C ZINC000952983956 910548593 /nfs/dbraw/zinc/54/85/93/910548593.db2.gz YNKZEANDBIBMMO-UHFFFAOYSA-N 2 0 272.352 1.417 50 0 CDAARP CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000179071164 362249812 /nfs/dbraw/zinc/24/98/12/362249812.db2.gz LAKDQKFRKFQYMR-CYBMUJFWSA-N 2 0 291.395 1.061 50 0 CDAARP COc1ccc(C[NH2+]CC2CC[NH2+]CC2)c(OC)c1 ZINC000010434703 356258226 /nfs/dbraw/zinc/25/82/26/356258226.db2.gz HYCYLXFXICOFHN-UHFFFAOYSA-N 2 0 264.369 1.793 50 0 CDAARP Cc1ccc(OCC[NH2+]C[C@]2(O)CCC[NH2+]C2)cc1C ZINC000072419084 357833874 /nfs/dbraw/zinc/83/38/74/357833874.db2.gz DTTXRRYGPDNSJS-INIZCTEOSA-N 2 0 278.396 1.386 50 0 CDAARP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000408523353 283322073 /nfs/dbraw/zinc/32/20/73/283322073.db2.gz RGTXIGOLOJSJPJ-KBPBESRZSA-N 2 0 267.417 1.319 50 0 CDAARP O=C(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)NC1CC1 ZINC000097200668 358188370 /nfs/dbraw/zinc/18/83/70/358188370.db2.gz UYJIWDYWROWDJL-CYBMUJFWSA-N 2 0 288.395 1.484 50 0 CDAARP [NH3+]C[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000299796701 372768759 /nfs/dbraw/zinc/76/87/59/372768759.db2.gz NNRDPAMZOBUCSF-CQSZACIVSA-N 2 0 261.369 1.554 50 0 CDAARP Cc1cc[nH+]c(NCCNc2ncnc3c2CC[NH2+]CC3)c1 ZINC000072422935 176401246 /nfs/dbraw/zinc/40/12/46/176401246.db2.gz KKNKQWTXWURNHW-UHFFFAOYSA-N 2 0 298.394 1.392 50 0 CDAARP C[NH+](C)CCC[NH+]=C1NC=N[C@H]2C=C(Cl)C=C[C@@H]12 ZINC000004085126 276785048 /nfs/dbraw/zinc/78/50/48/276785048.db2.gz IHVLCFGXWABDPI-NEPJUHHUSA-N 2 0 266.776 1.645 50 0 CDAARP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH3+])CC1 ZINC000036926989 277112536 /nfs/dbraw/zinc/11/25/36/277112536.db2.gz SYPIKCJHMHJEND-UHFFFAOYSA-N 2 0 273.302 1.916 50 0 CDAARP Nc1cc[nH+]cc1-c1cc2c(c(F)c1)O[C@H](C[NH3+])C2 ZINC000071278967 545504917 /nfs/dbraw/zinc/50/49/17/545504917.db2.gz UADHMDOACSVWKL-JTQLQIEISA-N 2 0 259.284 1.732 50 0 CDAARP CCc1nccn1C[C@H](C)[NH2+][C@H]1CC[C@@H]([NH3+])CC1 ZINC001506399111 975149526 /nfs/dbraw/zinc/14/95/26/975149526.db2.gz ZCUFZRMOIASJCD-RWMBFGLXSA-N 2 0 250.390 1.694 50 0 CDAARP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000090635763 180016699 /nfs/dbraw/zinc/01/66/99/180016699.db2.gz XQUKBFCAOSSEKZ-LBPRGKRZSA-N 2 0 269.389 1.337 50 0 CDAARP COc1cccc(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1 ZINC000426372403 358491012 /nfs/dbraw/zinc/49/10/12/358491012.db2.gz WWUWAJZAOMXFGT-GEEKYZPCSA-N 2 0 258.365 1.877 50 0 CDAARP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000036135354 356861913 /nfs/dbraw/zinc/86/19/13/356861913.db2.gz GKKPZIXEUBYVOK-OAHLLOKOSA-N 2 0 275.396 1.629 50 0 CDAARP Cc1[nH+]c(N(C)C)nc(NC[C@H](O)C[NH+]2CCCC2)c1C ZINC000065394958 357535889 /nfs/dbraw/zinc/53/58/89/357535889.db2.gz WCBQQLDMCXAESW-ZDUSSCGKSA-N 2 0 293.415 1.028 50 0 CDAARP Cc1cc(NCC[NH+]2CCCC2)nc(N2CCOCC2)n1 ZINC000065492104 357543977 /nfs/dbraw/zinc/54/39/77/357543977.db2.gz QGWAIDSMLDXVJA-UHFFFAOYSA-N 2 0 291.399 1.129 50 0 CDAARP c1ccc(CCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000097568831 360994045 /nfs/dbraw/zinc/99/40/45/360994045.db2.gz HAPQWJXHZHQEBR-QGZVFWFLSA-N 2 0 273.424 1.599 50 0 CDAARP CC[NH+](CC)CCOCCOCC[NH+](CC)CC ZINC000005061365 170062524 /nfs/dbraw/zinc/06/25/24/170062524.db2.gz SBMVYNVBTJBDPO-UHFFFAOYSA-N 2 0 260.422 1.703 50 0 CDAARP CC[NH+](CC)CCOc1ccc(C[NH3+])cc1OC ZINC000011889913 170453882 /nfs/dbraw/zinc/45/38/82/170453882.db2.gz FOWDLOOZXVUBGB-UHFFFAOYSA-N 2 0 252.358 1.875 50 0 CDAARP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000019201099 170754418 /nfs/dbraw/zinc/75/44/18/170754418.db2.gz JZPUIOYIIZGOSM-HNNXBMFYSA-N 2 0 263.385 1.333 50 0 CDAARP C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000178981991 277033332 /nfs/dbraw/zinc/03/33/32/277033332.db2.gz SRFIGAGRVJOMOK-CQSZACIVSA-N 2 0 275.396 1.430 50 0 CDAARP Cc1nc(CC[NH3+])cc(NCCCC[NH+]2CCCC2)n1 ZINC000067674584 281889728 /nfs/dbraw/zinc/88/97/28/281889728.db2.gz ASMYOWWXXJRQDS-UHFFFAOYSA-N 2 0 277.416 1.574 50 0 CDAARP CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067964886 519448814 /nfs/dbraw/zinc/44/88/14/519448814.db2.gz NLYCVHDUVNOERV-MRXNPFEDSA-N 2 0 293.455 1.851 50 0 CDAARP [NH3+]C[C@@H]1CC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209913 577036135 /nfs/dbraw/zinc/03/61/35/577036135.db2.gz GPSDDLHWXJHUCF-ZDCRXTMVSA-N 2 0 265.323 1.244 50 0 CDAARP c1nn2cccnc2c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426535987 784351498 /nfs/dbraw/zinc/35/14/98/784351498.db2.gz YRZZXUXDLUNRKW-UHFFFAOYSA-N 2 0 271.368 1.305 50 0 CDAARP CC[C@]1(CO)CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192841585 529431414 /nfs/dbraw/zinc/43/14/14/529431414.db2.gz GVTFDKSWWCDIFQ-QGZVFWFLSA-N 2 0 297.487 1.639 50 0 CDAARP CC(C)c1cc(NCCC[NH+]2CCC(O)CC2)nc(N)[nH+]1 ZINC000092045790 180310938 /nfs/dbraw/zinc/31/09/38/180310938.db2.gz FXNCEMYTIJTBMX-UHFFFAOYSA-N 2 0 293.415 1.441 50 0 CDAARP CCC[NH+](CCC)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000012983719 283214621 /nfs/dbraw/zinc/21/46/21/283214621.db2.gz YWWXDNPNNUXBND-UHFFFAOYSA-N 2 0 296.415 1.287 50 0 CDAARP CC(=O)N1CCC([N@@H+]2CCC[C@H](Cn3ccnc3)C2)CC1 ZINC000065501362 357545623 /nfs/dbraw/zinc/54/56/23/357545623.db2.gz CCXSCWZALNOZHB-OAHLLOKOSA-N 2 0 290.411 1.606 50 0 CDAARP CCCn1ccnc1CNC(=O)[C@@H](C)n1ccnc1C ZINC000426589687 361070119 /nfs/dbraw/zinc/07/01/19/361070119.db2.gz AKOZMIAQTOYKNG-LLVKDONJSA-N 2 0 275.356 1.675 50 0 CDAARP CC[N@@H+]1CCC[C@@](C)(C[NH+]2CCC(CO)CC2)C1 ZINC000019642384 374767970 /nfs/dbraw/zinc/76/79/70/374767970.db2.gz OLMDMUBUWKXJLF-OAHLLOKOSA-N 2 0 254.418 1.813 50 0 CDAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000299738716 375200344 /nfs/dbraw/zinc/20/03/44/375200344.db2.gz FMRYHZJVWARLMI-MELADBBJSA-N 2 0 267.417 1.447 50 0 CDAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[NH3+] ZINC000299739976 390595798 /nfs/dbraw/zinc/59/57/98/390595798.db2.gz UIGOCNAEAOLZRH-UKRRQHHQSA-N 2 0 275.396 1.314 50 0 CDAARP C[C@@H]1C[C@@H](C[C@@H]([NH3+])C2(O)CC[NH2+]CC2)C[C@H](C)O1 ZINC000958528002 793372816 /nfs/dbraw/zinc/37/28/16/793372816.db2.gz LOZNDGXDZWMNDC-YVECIDJPSA-N 2 0 256.390 1.022 50 0 CDAARP O[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]CC1 ZINC000382640611 794733345 /nfs/dbraw/zinc/73/33/45/794733345.db2.gz WBXMMAOLENGZQW-QGZVFWFLSA-N 2 0 289.423 1.313 50 0 CDAARP Cc1c[nH+]ccc1N1CC[NH+](CCCn2cccn2)CC1 ZINC000825253415 925857205 /nfs/dbraw/zinc/85/72/05/925857205.db2.gz NMLUCZNYYQEUJQ-UHFFFAOYSA-N 2 0 285.395 1.799 50 0 CDAARP Cc1nc2ccc(C)cn2c1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000585139740 342218258 /nfs/dbraw/zinc/21/82/58/342218258.db2.gz XEEBHVALJNZOEL-LBPRGKRZSA-N 2 0 272.352 1.889 50 0 CDAARP C[C@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000126235452 187226113 /nfs/dbraw/zinc/22/61/13/187226113.db2.gz NWTYNZZNBMUWLZ-JSGCOSHPSA-N 2 0 261.369 1.287 50 0 CDAARP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000263241465 362376649 /nfs/dbraw/zinc/37/66/49/362376649.db2.gz ORPMDLQGPOTXDM-GDBMZVCRSA-N 2 0 295.471 1.955 50 0 CDAARP COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000010434629 356258482 /nfs/dbraw/zinc/25/84/82/356258482.db2.gz XMLFAEKIPTXQIG-UHFFFAOYSA-N 2 0 264.369 1.793 50 0 CDAARP CCCn1ncc(CN2CCO[C@H](CC[NH+](C)C)C2)c1C ZINC000012706003 356318888 /nfs/dbraw/zinc/31/88/88/356318888.db2.gz VUAPWLMUBVPRTD-MRXNPFEDSA-N 2 0 294.443 1.754 50 0 CDAARP OCC[NH+]1CCC(CCCC2CC[NH+](CCO)CC2)CC1 ZINC000000056418 358078823 /nfs/dbraw/zinc/07/88/23/358078823.db2.gz VSSGEWPIFHKREK-UHFFFAOYSA-N 2 0 298.471 1.565 50 0 CDAARP CN(C)c1ncc(C[N@H+](C)CCCc2nccn2C)cn1 ZINC000215364931 358885865 /nfs/dbraw/zinc/88/58/65/358885865.db2.gz GJNHNDPXYIHMNE-UHFFFAOYSA-N 2 0 288.399 1.341 50 0 CDAARP Nc1nc(NCCc2ccccn2)cc(C2CC([NH3+])C2)n1 ZINC000223476484 359428646 /nfs/dbraw/zinc/42/86/46/359428646.db2.gz JETPTWHLVAFJOG-UHFFFAOYSA-N 2 0 284.367 1.313 50 0 CDAARP [NH3+][C@H]1C[C@H](c2cc(NC[C@@H]3CCC[NH2+]3)nc(C3CC3)n2)C1 ZINC000244691816 189908972 /nfs/dbraw/zinc/90/89/72/189908972.db2.gz JJUBKFFVVQVAQR-AVGNSLFASA-N 2 0 287.411 1.723 50 0 CDAARP CC(C)[NH+](CCNC(=O)C1CC[NH2+]CC1)C(C)C ZINC000021951834 171340052 /nfs/dbraw/zinc/34/00/52/171340052.db2.gz XKSVMJXZZGMSMB-UHFFFAOYSA-N 2 0 255.406 1.221 50 0 CDAARP C[NH2+]CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000071639251 277263486 /nfs/dbraw/zinc/26/34/86/277263486.db2.gz BVRUNOOCHMSQQO-UHFFFAOYSA-N 2 0 289.423 1.373 50 0 CDAARP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000262245053 295303792 /nfs/dbraw/zinc/30/37/92/295303792.db2.gz CHBVKLNZILPMTA-OAGGEKHMSA-N 2 0 293.455 1.981 50 0 CDAARP CC(=O)N1CCO[C@H](C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000534652983 328338213 /nfs/dbraw/zinc/33/82/13/328338213.db2.gz PBAUCCNTYVAHAZ-CQSZACIVSA-N 2 0 297.443 1.133 50 0 CDAARP CC[C@H](C(=O)NCC(C)(C)[NH+]1CCCC1)[N@H+](C)CC ZINC000822554852 1161928652 /nfs/dbraw/zinc/92/86/52/1161928652.db2.gz OGBLGSWAWYYMTC-CYBMUJFWSA-N 2 0 269.433 1.707 50 0 CDAARP Cc1[nH+]c(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccn12 ZINC000426434408 534369847 /nfs/dbraw/zinc/36/98/47/534369847.db2.gz CCZXBERLQHFHPI-YWVIFJGQSA-N 2 0 270.380 1.812 50 0 CDAARP CC(C)[NH+]1CCC([NH2+][C@@H]2CC=CC[C@H]2C(N)=O)CC1 ZINC000821745985 925595078 /nfs/dbraw/zinc/59/50/78/925595078.db2.gz BHQHVZSALVJSSH-ZIAGYGMSSA-N 2 0 265.401 1.269 50 0 CDAARP CC1(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)CCOCC1 ZINC000828605319 926147431 /nfs/dbraw/zinc/14/74/31/926147431.db2.gz FCERDDJVJNBAEK-UHFFFAOYSA-N 2 0 296.455 1.726 50 0 CDAARP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000864094031 934607505 /nfs/dbraw/zinc/60/75/05/934607505.db2.gz ATJCXNUHTLWJKW-CYBMUJFWSA-N 2 0 282.432 1.254 50 0 CDAARP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](CC1CCC1)C2 ZINC000222782536 230398562 /nfs/dbraw/zinc/39/85/62/230398562.db2.gz SNISBODOUULBRR-MRXNPFEDSA-N 2 0 292.427 1.484 50 0 CDAARP CC[C@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000097002314 185150472 /nfs/dbraw/zinc/15/04/72/185150472.db2.gz PZSREKOIWRHNFF-INIZCTEOSA-N 2 0 283.460 1.515 50 0 CDAARP Cn1c2ccccc2nc1C[NH+]1CCC(C[NH3+])CC1 ZINC000097019920 185153257 /nfs/dbraw/zinc/15/32/57/185153257.db2.gz NWXSPWYDIGUKTI-UHFFFAOYSA-N 2 0 258.369 1.744 50 0 CDAARP CCOC(=O)N1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000000753465 362363894 /nfs/dbraw/zinc/36/38/94/362363894.db2.gz PBOGCFQCLDDXLU-UHFFFAOYSA-N 2 0 285.432 1.785 50 0 CDAARP CC[C@H](CNc1nc(N)[nH+]c(C)c1C)[N@H+](C)CC ZINC000091551313 180188960 /nfs/dbraw/zinc/18/89/60/180188960.db2.gz NSFWOMHZPJMLMJ-LLVKDONJSA-N 2 0 251.378 1.818 50 0 CDAARP c1ccc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000042783414 357080499 /nfs/dbraw/zinc/08/04/99/357080499.db2.gz QJXXOYPSGWVSLA-INIZCTEOSA-N 2 0 259.397 1.414 50 0 CDAARP OCCCCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063871880 357518566 /nfs/dbraw/zinc/51/85/66/357518566.db2.gz HBBRMNGRLGXUPA-HUUCEWRRSA-N 2 0 270.417 1.118 50 0 CDAARP C[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[N@H+](C)C1CC1 ZINC000095351211 374888339 /nfs/dbraw/zinc/88/83/39/374888339.db2.gz OSQJQCFMHFHPBR-LBPRGKRZSA-N 2 0 294.443 1.395 50 0 CDAARP COCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000242302103 376022068 /nfs/dbraw/zinc/02/20/68/376022068.db2.gz YPNWMTLDJLDHDB-TUVASFSCSA-N 2 0 282.428 1.358 50 0 CDAARP Cc1ccc([C@@H]2CN(c3ccnc(N)n3)C[C@H]2[NH+](C)C)cc1 ZINC000077341253 390810274 /nfs/dbraw/zinc/81/02/74/390810274.db2.gz BCORIHNHFUBGKU-LSDHHAIUSA-N 2 0 297.406 1.901 50 0 CDAARP CC(C)C[N@H+](Cc1ccsc1)C[C@]1(O)CC[NH2+]C1 ZINC000077505351 177275996 /nfs/dbraw/zinc/27/59/96/177275996.db2.gz OIQDKDLVHOCSMJ-AWEZNQCLSA-N 2 0 268.426 1.931 50 0 CDAARP [NH3+]Cc1cn(C[C@H]2CCC[N@H+](Cc3ccoc3)C2)nn1 ZINC000023153347 1159182064 /nfs/dbraw/zinc/18/20/64/1159182064.db2.gz CDTKNANCITWCKM-LBPRGKRZSA-N 2 0 275.356 1.242 50 0 CDAARP CC[NH2+]C[C@H](O)COCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000023549977 482844737 /nfs/dbraw/zinc/84/47/37/482844737.db2.gz HPIOXBOTTXBOLI-KGLIPLIRSA-N 2 0 258.406 1.095 50 0 CDAARP CCC[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000022913454 812095457 /nfs/dbraw/zinc/09/54/57/812095457.db2.gz CNQXMKLWGIKOKQ-KRWDZBQOSA-N 2 0 297.487 1.638 50 0 CDAARP COc1ccc([C@H]([NH3+])C2(O)CC[NH2+]CC2)c(C)c1 ZINC000958528915 813358398 /nfs/dbraw/zinc/35/83/98/813358398.db2.gz YMDHZFHAPLDSJS-ZDUSSCGKSA-N 2 0 250.342 1.118 50 0 CDAARP CCC[NH+]1CCC(Cc2noc([C@H]3CC[NH2+]C3)n2)CC1 ZINC000067805550 814064714 /nfs/dbraw/zinc/06/47/14/814064714.db2.gz ATJPBOYDYQJJNT-ZDUSSCGKSA-N 2 0 278.400 1.811 50 0 CDAARP C[C@@H]1CC(C[C@H]([NH3+])C2(O)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000958528001 817638983 /nfs/dbraw/zinc/63/89/83/817638983.db2.gz LOZNDGXDZWMNDC-WZRBSPASSA-N 2 0 256.390 1.022 50 0 CDAARP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CSCCSC1 ZINC000952968254 910535066 /nfs/dbraw/zinc/53/50/66/910535066.db2.gz KSCZDCAGNKLBND-GFCCVEGCSA-N 2 0 260.472 1.909 50 0 CDAARP O[C@H]1CCC[N@H+](CCCNc2cc[nH+]c3ccccc23)C1 ZINC000828627372 926151113 /nfs/dbraw/zinc/15/11/13/926151113.db2.gz IUWYJYFBIHHISJ-AWEZNQCLSA-N 2 0 285.391 1.915 50 0 CDAARP CCC(=O)N1CC([N@H+](CC(C)C)C2CCN(C)CC2)C1 ZINC000581799756 927198638 /nfs/dbraw/zinc/19/86/38/927198638.db2.gz VJWMEUKZZNNPLM-UHFFFAOYSA-N 2 0 281.444 1.659 50 0 CDAARP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC000095967157 185046167 /nfs/dbraw/zinc/04/61/67/185046167.db2.gz NPDZWCSZJGERSL-KGLIPLIRSA-N 2 0 267.417 1.319 50 0 CDAARP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000685939655 539045725 /nfs/dbraw/zinc/04/57/25/539045725.db2.gz NDYSVAOORRUXHO-UGUYLWEFSA-N 2 0 265.445 1.932 50 0 CDAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3cccn3-c3ncccn3)C[C@H]21 ZINC000102653967 358885393 /nfs/dbraw/zinc/88/53/93/358885393.db2.gz LULYOXQPEVVPOJ-PHZGNYQRSA-N 2 0 297.406 1.507 50 0 CDAARP CC(C)OCCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219089204 359078986 /nfs/dbraw/zinc/07/89/86/359078986.db2.gz BDFRRISUPBNFLB-UHFFFAOYSA-N 2 0 265.361 1.100 50 0 CDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C1CSCCSC1)C2 ZINC000426370925 360659620 /nfs/dbraw/zinc/65/96/20/360659620.db2.gz IMCWSOOUPNDSRT-IAZYJMLFSA-N 2 0 258.456 1.504 50 0 CDAARP [NH3+]CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071757198 176260829 /nfs/dbraw/zinc/26/08/29/176260829.db2.gz MLNRXEVXHAVJLK-KBAYOESNSA-N 2 0 299.418 1.424 50 0 CDAARP C[N@@H+]1CCN(C2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000034754831 277104070 /nfs/dbraw/zinc/10/40/70/277104070.db2.gz XKXGVLNUARUGMT-INIZCTEOSA-N 2 0 259.397 1.727 50 0 CDAARP CC[N@H+](C)C1(CNC(=O)[C@H]2CC[NH+](C)C2)CCCCC1 ZINC000670450796 483016415 /nfs/dbraw/zinc/01/64/15/483016415.db2.gz DIGNDCFDRPYIDZ-AWEZNQCLSA-N 2 0 281.444 1.709 50 0 CDAARP C(C[NH+]1CCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096455417 527481628 /nfs/dbraw/zinc/48/16/28/527481628.db2.gz RGIJKQAVPNXBET-INIZCTEOSA-N 2 0 281.444 1.126 50 0 CDAARP CC(C)c1nccn1CCC[NH2+]C[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000952968505 614327987 /nfs/dbraw/zinc/32/79/87/614327987.db2.gz KFDLZRULBUPPFZ-ZSOGYDGISA-N 2 0 262.401 1.452 50 0 CDAARP CC1(C)CC(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)CC(C)(C)[NH2+]1 ZINC000828896723 926209686 /nfs/dbraw/zinc/20/96/86/926209686.db2.gz IHPZMGRDEGEEOW-GJZGRUSLSA-N 2 0 295.471 1.437 50 0 CDAARP c1ccc(C[NH+]2CCN([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000042783277 357080287 /nfs/dbraw/zinc/08/02/87/357080287.db2.gz SEVHMEGDMJXTTB-INIZCTEOSA-N 2 0 259.397 1.556 50 0 CDAARP OC[C@@H]1C[NH2+]CCC12CC[NH+](Cc1cccs1)CC2 ZINC000097654154 358790136 /nfs/dbraw/zinc/79/01/36/358790136.db2.gz SBYHBEJYHMLQJI-ZDUSSCGKSA-N 2 0 280.437 1.932 50 0 CDAARP COCCN1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000089414545 359283632 /nfs/dbraw/zinc/28/36/32/359283632.db2.gz MGXNOBIZLZYUCP-CYBMUJFWSA-N 2 0 258.431 1.582 50 0 CDAARP C[C@@H]1C[N@@H+](C2CCN(C[C@@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000089941158 366973828 /nfs/dbraw/zinc/97/38/28/366973828.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 2 0 281.444 1.123 50 0 CDAARP CC[N@@H+]1CCC[C@H](CN2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000244882729 377798772 /nfs/dbraw/zinc/79/87/72/377798772.db2.gz XXLRJADSHBDTDM-HOTGVXAUSA-N 2 0 265.445 1.888 50 0 CDAARP C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000261662664 391954104 /nfs/dbraw/zinc/95/41/04/391954104.db2.gz ABSKSSMOMWOFJJ-MGPQQGTHSA-N 2 0 267.417 1.447 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000263284571 287274312 /nfs/dbraw/zinc/27/43/12/287274312.db2.gz TZLRTSGBDOAQIH-BZUAXINKSA-N 2 0 293.455 1.709 50 0 CDAARP C[NH+](C)C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(Cl)o1)C2 ZINC001772711313 1159446250 /nfs/dbraw/zinc/44/62/50/1159446250.db2.gz HKBOMEUKTKMEMC-HZMBPMFUSA-N 2 0 297.786 1.156 50 0 CDAARP CN(CCC[NH+]1CCCCCC1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000952974574 616074751 /nfs/dbraw/zinc/07/47/51/616074751.db2.gz JSPIVFGXXNMDEJ-CQSZACIVSA-N 2 0 265.401 1.239 50 0 CDAARP COc1ccc(C[NH2+]C2CC(CC[NH3+])C2)cc1OC ZINC000888096983 617760500 /nfs/dbraw/zinc/76/05/00/617760500.db2.gz UBSCPGZPSNDLNG-UHFFFAOYSA-N 2 0 264.369 1.921 50 0 CDAARP C[C@H](C[NH+]1CCCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000820631927 925532067 /nfs/dbraw/zinc/53/20/67/925532067.db2.gz LLTBXODDLQWYCH-CQSZACIVSA-N 2 0 281.444 1.709 50 0 CDAARP CC[NH+](CC)CC1(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000823076024 925666933 /nfs/dbraw/zinc/66/69/33/925666933.db2.gz KCRBTANRYZUASV-CABCVRRESA-N 2 0 293.455 1.851 50 0 CDAARP COC(C)(C)C[C@H](C)[NH+]1CCC(CO)(C[NH+](C)C)CC1 ZINC000824250086 925811498 /nfs/dbraw/zinc/81/14/98/925811498.db2.gz PQJYJXCHXTYRQS-AWEZNQCLSA-N 2 0 286.460 1.826 50 0 CDAARP O=C(C[NH+]1CCCCCC1)NCC[C@H]1CCCC[NH2+]1 ZINC001506415726 975155900 /nfs/dbraw/zinc/15/59/00/975155900.db2.gz BYMGJVULSFJCSA-CQSZACIVSA-N 2 0 267.417 1.511 50 0 CDAARP CC[C@@H](CNc1nc(N)[nH+]c(C)c1C)[N@H+](C)CC ZINC000091551310 180189103 /nfs/dbraw/zinc/18/91/03/180189103.db2.gz NSFWOMHZPJMLMJ-NSHDSACASA-N 2 0 251.378 1.818 50 0 CDAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000757100 356813253 /nfs/dbraw/zinc/81/32/53/356813253.db2.gz BFHADDFHSMDVKN-GFCCVEGCSA-N 2 0 253.390 1.058 50 0 CDAARP Cc1[nH+]c(N(C)C)nc(NC2CC[NH+](C)CC2)c1C ZINC000032516053 356781825 /nfs/dbraw/zinc/78/18/25/356781825.db2.gz VZKCKGAYTLPCIR-UHFFFAOYSA-N 2 0 263.389 1.666 50 0 CDAARP c1nc(CCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)c[nH]1 ZINC000072458618 357836918 /nfs/dbraw/zinc/83/69/18/357836918.db2.gz YXHORHFYWALEFX-UHFFFAOYSA-N 2 0 298.394 1.420 50 0 CDAARP CCNC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000095458276 374955986 /nfs/dbraw/zinc/95/59/86/374955986.db2.gz FBKSUPOLWAHOFA-UHFFFAOYSA-N 2 0 295.471 1.957 50 0 CDAARP O=C(NC[C@@H]1CCC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000097229971 375156994 /nfs/dbraw/zinc/15/69/94/375156994.db2.gz DUXYZAIHGIUZEG-ZFWWWQNUSA-N 2 0 279.428 1.509 50 0 CDAARP CCCC[C@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244659792 376033685 /nfs/dbraw/zinc/03/36/85/376033685.db2.gz HIRWQPVJWSGVEY-ZNMIVQPWSA-N 2 0 281.444 1.837 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000299738737 285391328 /nfs/dbraw/zinc/39/13/28/285391328.db2.gz FSKGAAAPBIAASQ-XQQFMLRXSA-N 2 0 255.406 1.031 50 0 CDAARP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000178980442 140011221 /nfs/dbraw/zinc/01/12/21/140011221.db2.gz BORKZAYWQYYTFJ-CQSZACIVSA-N 2 0 289.427 1.403 50 0 CDAARP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH3+])CC1 ZINC000019872683 276202901 /nfs/dbraw/zinc/20/29/01/276202901.db2.gz IWPIHYQVHUYKJX-NSHDSACASA-N 2 0 251.349 1.987 50 0 CDAARP CN1CC[N@H+](C)C[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000068806320 277103258 /nfs/dbraw/zinc/10/32/58/277103258.db2.gz UJAGGMFMHAYPFX-CYBMUJFWSA-N 2 0 270.380 1.893 50 0 CDAARP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000095967797 279379117 /nfs/dbraw/zinc/37/91/17/279379117.db2.gz HYTQJQCEXUVJFB-HUUCEWRRSA-N 2 0 293.430 1.982 50 0 CDAARP CC(C)(C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000534647266 328342739 /nfs/dbraw/zinc/34/27/39/328342739.db2.gz REECXSFTGKYAHT-CQSZACIVSA-N 2 0 281.444 1.757 50 0 CDAARP C[NH+](C)C[C@@]12C[NH2+]C[C@H]1CN(c1ncc(Cl)cc1F)C2 ZINC001772712026 1159444994 /nfs/dbraw/zinc/44/49/94/1159444994.db2.gz ZNICZYJSQIIOBV-IINYFYTJSA-N 2 0 298.793 1.462 50 0 CDAARP CCOc1ccnc(NCC2([NH+](C)C)CCN(C)CC2)n1 ZINC000670451386 483012669 /nfs/dbraw/zinc/01/26/69/483012669.db2.gz KAWLMUPVXPGFHE-UHFFFAOYSA-N 2 0 293.415 1.313 50 0 CDAARP [NH3+][C@H](c1ccc(F)cc1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528635 830446873 /nfs/dbraw/zinc/44/68/73/830446873.db2.gz XWKQJIPATCOGAA-RBKKPWLPSA-N 2 0 250.317 1.471 50 0 CDAARP C[NH+](C)CC1(CO)CC[NH+](C2CCCCC2)CC1 ZINC000828690347 926165125 /nfs/dbraw/zinc/16/51/25/926165125.db2.gz WQELDSZZZLMXMC-UHFFFAOYSA-N 2 0 254.418 1.955 50 0 CDAARP C1OC2(C[C@@H]1[NH2+]C1CSCCSC1)CC[NH2+]CC2 ZINC001529179512 969003868 /nfs/dbraw/zinc/00/38/68/969003868.db2.gz BQYAXVBTYVXKRN-NSHDSACASA-N 2 0 288.482 1.336 50 0 CDAARP CC[C@H](O)C[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000252486839 398216827 /nfs/dbraw/zinc/21/68/27/398216827.db2.gz HPGYJNZMMIOOGC-KRWDZBQOSA-N 2 0 291.439 1.791 50 0 CDAARP OC[C@H]1C=C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000195557423 342626739 /nfs/dbraw/zinc/62/67/39/342626739.db2.gz UVJPBRGIMMVPIU-DZGCQCFKSA-N 2 0 273.380 1.577 50 0 CDAARP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000685939632 539045777 /nfs/dbraw/zinc/04/57/77/539045777.db2.gz VZBYTCIFFDEURJ-OAGGEKHMSA-N 2 0 293.455 1.659 50 0 CDAARP [NH3+][C@H]1C[C@@H](c2cc(NCCCC[NH+]3CCCC3)ncn2)C1 ZINC000252552900 362393432 /nfs/dbraw/zinc/39/34/32/362393432.db2.gz VEZJFFJFHXBKPU-OKILXGFUSA-N 2 0 289.427 1.969 50 0 CDAARP NC(=O)C1CC[NH+](CCC[NH2+][C@@H]2CCCSC2)CC1 ZINC000584891751 349351201 /nfs/dbraw/zinc/35/12/01/349351201.db2.gz HASTUJASJUFVHO-CYBMUJFWSA-N 2 0 285.457 1.059 50 0 CDAARP CCNC(=O)[C@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067789957 357627997 /nfs/dbraw/zinc/62/79/97/357627997.db2.gz RLUMGKPSPSIBSU-LBPRGKRZSA-N 2 0 267.417 1.413 50 0 CDAARP CN1CCO[C@H](CNc2nccc3ccccc32)C1 ZINC000168702853 359400639 /nfs/dbraw/zinc/40/06/39/359400639.db2.gz LGLRXOPKPZQPTI-CYBMUJFWSA-N 2 0 257.337 1.977 50 0 CDAARP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC000639757353 364780201 /nfs/dbraw/zinc/78/02/01/364780201.db2.gz GUXNZELQYHQUIC-AWEZNQCLSA-N 2 0 252.402 1.973 50 0 CDAARP CC(C)(C)n1cc[n+](C[n+]2ccn(C(C)(C)C)c2)c1 ZINC000038262884 376506400 /nfs/dbraw/zinc/50/64/00/376506400.db2.gz QITKMIZFIHLBDT-UHFFFAOYSA-N 2 0 262.401 1.880 50 0 CDAARP CN(C)[C@@H](C(=O)N[C@H]1CC[C@@H]([NH3+])CC1)c1cccc(F)c1 ZINC000248044769 377194122 /nfs/dbraw/zinc/19/41/22/377194122.db2.gz WCHIWQZNLMFAQJ-QLFBSQMISA-N 2 0 293.386 1.815 50 0 CDAARP OC[C@]12C[NH2+]C[C@H]1CN(CCOc1ccc(Cl)cc1)C2 ZINC001772700516 1159437006 /nfs/dbraw/zinc/43/70/06/1159437006.db2.gz FXQWFGNVTUXTPC-SWLSCSKDSA-N 2 0 296.798 1.233 50 0 CDAARP CC1(C)CC(O)([C@@H]([NH3+])c2nccs2)CC(C)(C)[NH2+]1 ZINC000958528874 836439977 /nfs/dbraw/zinc/43/99/77/836439977.db2.gz XMRXCQZCRUCHMQ-VIFPVBQESA-N 2 0 269.414 1.815 50 0 CDAARP O[C@]1(C[N@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]C1 ZINC000072437943 840037461 /nfs/dbraw/zinc/03/74/61/840037461.db2.gz QHPVLAKIWBTSOF-QGZVFWFLSA-N 2 0 289.423 1.941 50 0 CDAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccnc(C(C)C)n1 ZINC000952968069 842940905 /nfs/dbraw/zinc/94/09/05/842940905.db2.gz AQMGQGVJTCYAAU-UHFFFAOYSA-N 2 0 285.395 1.927 50 0 CDAARP c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000952960214 910469380 /nfs/dbraw/zinc/46/93/80/910469380.db2.gz LZKYBDXUGRBJJQ-LSDHHAIUSA-N 2 0 260.385 1.831 50 0 CDAARP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584901553 355956675 /nfs/dbraw/zinc/95/66/75/355956675.db2.gz IGHNYWGOLSYNOK-UHFFFAOYSA-N 2 0 293.455 1.949 50 0 CDAARP CC(C)(C)OC(=O)NCC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000016124107 356431134 /nfs/dbraw/zinc/43/11/34/356431134.db2.gz YOQSKBHJINOZQI-UHFFFAOYSA-N 2 0 297.443 1.975 50 0 CDAARP c1ccc(C[NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000019852660 356510034 /nfs/dbraw/zinc/51/00/34/356510034.db2.gz CSRXBHNXDALEFS-MRXNPFEDSA-N 2 0 259.397 1.556 50 0 CDAARP C[C@@H](CCn1cccn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426661968 360694623 /nfs/dbraw/zinc/69/46/23/360694623.db2.gz GKWRWPLZIIZCOX-AWEZNQCLSA-N 2 0 262.401 1.737 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cnn(CC[NH+](C)C)c1 ZINC000097037672 375139142 /nfs/dbraw/zinc/13/91/42/375139142.db2.gz QSJBCARSVWVSQO-NFAWXSAZSA-N 2 0 279.432 1.585 50 0 CDAARP CCOC(=O)[C@H]1CC2(CC[NH+](C)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014987429 390214382 /nfs/dbraw/zinc/21/43/82/390214382.db2.gz IQJCIKOQCJLDKT-STQMWFEESA-N 2 0 266.385 1.498 50 0 CDAARP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3)C[C@H]12 ZINC000261856022 140399495 /nfs/dbraw/zinc/39/94/95/140399495.db2.gz XEGNLKHGZQVCOH-VHDGCEQUSA-N 2 0 273.380 1.684 50 0 CDAARP [NH3+][C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000070495216 279677960 /nfs/dbraw/zinc/67/79/60/279677960.db2.gz OPMISMDFNBVCGR-OAHLLOKOSA-N 2 0 273.380 1.211 50 0 CDAARP [NH3+]CCCCc1nnc(NCC[NH+]2CCCCCC2)o1 ZINC001772710613 1159444438 /nfs/dbraw/zinc/44/44/38/1159444438.db2.gz CEFMAVANQCPMDL-UHFFFAOYSA-N 2 0 281.404 1.639 50 0 CDAARP COc1ccc(-c2c[nH+]ccc2N)cc1C[C@H](C[NH3+])CO ZINC000952850153 910403653 /nfs/dbraw/zinc/40/36/53/910403653.db2.gz UUCSISVTZAEELE-LLVKDONJSA-N 2 0 287.363 1.279 50 0 CDAARP C[C@@H](C[NH+]1CCCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000820631926 925532456 /nfs/dbraw/zinc/53/24/56/925532456.db2.gz LLTBXODDLQWYCH-AWEZNQCLSA-N 2 0 281.444 1.709 50 0 CDAARP CC(C)[C@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000195554977 342626111 /nfs/dbraw/zinc/62/61/11/342626111.db2.gz DYSAKWPDRFNWPH-AWEZNQCLSA-N 2 0 269.433 1.550 50 0 CDAARP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021991 185153334 /nfs/dbraw/zinc/15/33/34/185153334.db2.gz IINJXOIZFRSOGL-YPMHNXCESA-N 2 0 262.353 1.627 50 0 CDAARP Cc1cc(N2CCC([NH+]3CCC(O)CC3)CC2)cc[nH+]1 ZINC000095505811 136517229 /nfs/dbraw/zinc/51/72/29/136517229.db2.gz DZEYNMNIGMAKGV-UHFFFAOYSA-N 2 0 275.396 1.816 50 0 CDAARP CCc1c(C)[nH+]c(N)nc1NCC[NH+](CC)CC ZINC000091747025 180245208 /nfs/dbraw/zinc/24/52/08/180245208.db2.gz FKVOPWWPUCXFFR-UHFFFAOYSA-N 2 0 251.378 1.683 50 0 CDAARP CC(C)(C)OC(=O)NC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000039365448 356972567 /nfs/dbraw/zinc/97/25/67/356972567.db2.gz KAQZZWSBZVORPS-UHFFFAOYSA-N 2 0 297.443 1.975 50 0 CDAARP CC[N@H+]1CCc2nnc([C@@H]3CC[NH+](CC(C)C)C3)n2CC1 ZINC000257189245 359533089 /nfs/dbraw/zinc/53/30/89/359533089.db2.gz HXXBXHLAHRNZLY-CQSZACIVSA-N 2 0 291.443 1.601 50 0 CDAARP C[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[N@H+](C)C1CC1 ZINC000095351212 374887707 /nfs/dbraw/zinc/88/77/07/374887707.db2.gz OSQJQCFMHFHPBR-GFCCVEGCSA-N 2 0 294.443 1.395 50 0 CDAARP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738946 375199992 /nfs/dbraw/zinc/19/99/92/375199992.db2.gz ISYQZVAYSSWJKE-CHWSQXEVSA-N 2 0 253.390 1.058 50 0 CDAARP C[C@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662560371 413127422 /nfs/dbraw/zinc/12/74/22/413127422.db2.gz IQPFCGSQVKUIPK-CQSZACIVSA-N 2 0 279.409 1.205 50 0 CDAARP CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC000178408049 265673600 /nfs/dbraw/zinc/67/36/00/265673600.db2.gz ZCYLURJTCMLMHN-CQSZACIVSA-N 2 0 261.369 1.359 50 0 CDAARP C[NH+](C)C[C@@]12C[NH2+]C[C@@H]1CN(c1ncc(Cl)cc1F)C2 ZINC001772712027 1159445436 /nfs/dbraw/zinc/44/54/36/1159445436.db2.gz ZNICZYJSQIIOBV-QMTHXVAHSA-N 2 0 298.793 1.462 50 0 CDAARP Cc1nccn1CC[C@@H](C)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426393110 697876263 /nfs/dbraw/zinc/87/62/63/697876263.db2.gz ZDSOBDNMXOCBKB-CQSZACIVSA-N 3 0 292.427 1.425 50 0 CDAARP CC[C@@H](Cc1ccco1)[NH2+]CCN1CC[NH2+]CC1 ZINC000952870360 910421945 /nfs/dbraw/zinc/42/19/45/910421945.db2.gz YCJNTXHSIPFHLM-ZDUSSCGKSA-N 2 0 251.374 1.096 50 0 CDAARP CN1CCC[N@H+](CC[C@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000823778380 925729446 /nfs/dbraw/zinc/72/94/46/925729446.db2.gz RNGBLNUHOIJFKA-HNNXBMFYSA-N 2 0 281.444 1.173 50 0 CDAARP Cn1ccnc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001506418480 975156672 /nfs/dbraw/zinc/15/66/72/975156672.db2.gz RYGAPTIYJPLSNJ-UHFFFAOYSA-N 2 0 271.368 1.180 50 0 CDAARP Cc1cc(N)cc(C[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2)c1 ZINC000685940390 539045840 /nfs/dbraw/zinc/04/58/40/539045840.db2.gz IHYRHOPDKSPADK-AWEZNQCLSA-N 2 0 287.411 1.218 50 0 CDAARP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000584894811 349355132 /nfs/dbraw/zinc/35/51/32/349355132.db2.gz NGVJASAYYMYSSM-GJZGRUSLSA-N 2 0 297.487 1.993 50 0 CDAARP Cc1[nH+]c(N(C)C)nc(NC[C@@H](O)C[NH+]2CCCC2)c1C ZINC000065394959 357535846 /nfs/dbraw/zinc/53/58/46/357535846.db2.gz WCBQQLDMCXAESW-CYBMUJFWSA-N 2 0 293.415 1.028 50 0 CDAARP CCCn1cc(CN2CCC[C@](O)(C[NH+](C)C)C2)c(C)n1 ZINC000072453863 357836998 /nfs/dbraw/zinc/83/69/98/357836998.db2.gz JYYAUFICKXZDBR-INIZCTEOSA-N 2 0 294.443 1.490 50 0 CDAARP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]([NH3+])C3)cc(=O)c2c1 ZINC000095359333 358684686 /nfs/dbraw/zinc/68/46/86/358684686.db2.gz DTXCVRFYMMYEMO-VXGBXAGGSA-N 2 0 271.364 1.806 50 0 CDAARP Cc1nc(C(F)(F)F)ncc1CN1CC[C@H](C[NH3+])C1 ZINC000426534413 360681000 /nfs/dbraw/zinc/68/10/00/360681000.db2.gz GVJCCNJHCZZCPZ-SECBINFHSA-N 2 0 274.290 1.584 50 0 CDAARP CCSC[C@H](C)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426383117 360661510 /nfs/dbraw/zinc/66/15/10/360661510.db2.gz JZIYASHCHALCTD-AWEZNQCLSA-N 2 0 285.501 1.888 50 0 CDAARP OCC1(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCOCC1 ZINC000067967345 304822600 /nfs/dbraw/zinc/82/26/00/304822600.db2.gz OHOPHISOCHAOED-UHFFFAOYSA-N 2 0 296.455 1.678 50 0 CDAARP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010111675 170397661 /nfs/dbraw/zinc/39/76/61/170397661.db2.gz BDRLLLCBZRJKRG-UHFFFAOYSA-N 2 0 289.423 1.964 50 0 CDAARP C[NH2+]Cc1cn(C2CC[NH+]([C@@H]3CCSC3)CC2)nn1 ZINC000020908755 171278846 /nfs/dbraw/zinc/27/88/46/171278846.db2.gz WUCGPZSQTXHKJS-CYBMUJFWSA-N 2 0 281.429 1.140 50 0 CDAARP C[N@@H+]1CCC2(C1)CC[NH+](CCCn1cccn1)CC2 ZINC000670449562 483005670 /nfs/dbraw/zinc/00/56/70/483005670.db2.gz DUIZHQHTESQXOL-UHFFFAOYSA-N 2 0 262.401 1.691 50 0 CDAARP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000952868757 910417632 /nfs/dbraw/zinc/41/76/32/910417632.db2.gz ABRFIRSNJFGRJT-ZOBORPQBSA-N 2 0 262.401 1.353 50 0 CDAARP CC(C)C[NH+]1CCC([NH2+]CCc2ncnn2C)CC1 ZINC000821246130 925574336 /nfs/dbraw/zinc/57/43/36/925574336.db2.gz QJKMFXHBOPHGSQ-UHFFFAOYSA-N 2 0 265.405 1.068 50 0 CDAARP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484361 230381034 /nfs/dbraw/zinc/38/10/34/230381034.db2.gz CTUMWRFFXBTOBG-YESZJQIVSA-N 2 0 274.408 1.979 50 0 CDAARP Cc1ccnn1CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000244795164 361863554 /nfs/dbraw/zinc/86/35/54/361863554.db2.gz RATBPGJHDNHATC-AWEZNQCLSA-N 2 0 250.390 1.608 50 0 CDAARP [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2nccn2c1 ZINC000178491790 362243956 /nfs/dbraw/zinc/24/39/56/362243956.db2.gz QAXRTICNGDDIHD-LBPRGKRZSA-N 2 0 258.325 1.288 50 0 CDAARP Cc1nc([C@H]2C[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc(=O)[nH]1 ZINC000253534993 362434793 /nfs/dbraw/zinc/43/47/93/362434793.db2.gz BGTJFNKMUKBJBT-KLPPZKSPSA-N 2 0 262.357 1.078 50 0 CDAARP [NH3+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000195119586 358551952 /nfs/dbraw/zinc/55/19/52/358551952.db2.gz CJZQUHVFHBWUHT-JKSUJKDBSA-N 2 0 287.407 1.601 50 0 CDAARP Fc1cccc(CN2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102200190 358872675 /nfs/dbraw/zinc/87/26/75/358872675.db2.gz OZVYSRAAWQCOGD-FVQHAEBGSA-N 2 0 289.398 1.409 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261709173 359550735 /nfs/dbraw/zinc/55/07/35/359550735.db2.gz MHHISMLNTUUUNR-OWCLPIDISA-N 2 0 293.455 1.851 50 0 CDAARP OC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299759303 372747210 /nfs/dbraw/zinc/74/72/10/372747210.db2.gz QBFZMPQMOFPJJO-OAHLLOKOSA-N 2 0 276.380 1.515 50 0 CDAARP COC[C@H]1CCC[N@@H+]1C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063856003 390528466 /nfs/dbraw/zinc/52/84/66/390528466.db2.gz DSBFWMPIRBFPBS-BZUAXINKSA-N 2 0 282.428 1.477 50 0 CDAARP [NH3+][C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569276 131234274 /nfs/dbraw/zinc/23/42/74/131234274.db2.gz GBDOBAJGPYINKA-MJBXVCDLSA-N 2 0 261.369 1.320 50 0 CDAARP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388931235 397809027 /nfs/dbraw/zinc/80/90/27/397809027.db2.gz QNBXZNXFHBQBFT-MJBXVCDLSA-N 2 0 258.406 1.092 50 0 CDAARP Cc1nccn1CCC1CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000072410643 176398453 /nfs/dbraw/zinc/39/84/53/176398453.db2.gz IUFLSLKMBWXXJI-MRXNPFEDSA-N 2 0 292.427 1.018 50 0 CDAARP CC[N@@H+]1CCC[C@@H](N2CC[NH+](C(C)C)[C@H](C)C2)C1 ZINC000042976595 279292973 /nfs/dbraw/zinc/29/29/73/279292973.db2.gz BCSJDSWAOGLBCU-HUUCEWRRSA-N 2 0 253.434 1.885 50 0 CDAARP CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000534670041 328347014 /nfs/dbraw/zinc/34/70/14/328347014.db2.gz XSRVEJVCFQZGLR-STQMWFEESA-N 2 0 297.443 1.036 50 0 CDAARP CC[C@@H]1CN(c2nnc(C(C)(C)[NH3+])o2)CC[N@@H+]1C(C)C ZINC001772707137 1159441670 /nfs/dbraw/zinc/44/16/70/1159441670.db2.gz WLDXUYWVEUCIPL-LLVKDONJSA-N 2 0 281.404 1.572 50 0 CDAARP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000952978295 616244354 /nfs/dbraw/zinc/24/43/54/616244354.db2.gz KVQXZAMDSFLPFI-OAHLLOKOSA-N 2 0 277.412 1.739 50 0 CDAARP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCC1CCCCCC1)C2 ZINC001772707453 1159441653 /nfs/dbraw/zinc/44/16/53/1159441653.db2.gz SXFYLWIQYRJDBJ-CVEARBPZSA-N 2 0 266.429 1.861 50 0 CDAARP CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000037020608 712793418 /nfs/dbraw/zinc/79/34/18/712793418.db2.gz IBIBMHUYQLWFCG-AWEZNQCLSA-N 2 0 261.369 1.958 50 0 CDAARP CC(C)OCC[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000585132864 931028699 /nfs/dbraw/zinc/02/86/99/931028699.db2.gz BMJNVGZXZCNVLQ-UHFFFAOYSA-N 2 0 279.384 1.121 50 0 CDAARP CC1(C)NC(=[NH2+])NC(=[NH2+])N1CCCCc1ccccc1 ZINC000001569545 363031945 /nfs/dbraw/zinc/03/19/45/363031945.db2.gz FFWJGCZSJMMGEI-UHFFFAOYSA-N 2 0 273.384 1.690 50 0 in-vitro CDAARP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019637153 356494204 /nfs/dbraw/zinc/49/42/04/356494204.db2.gz DOHZFLAAIVWAKA-UHFFFAOYSA-N 2 0 273.424 1.898 50 0 CDAARP O[C@@]1(CNCC[NH+]2CCCC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063855381 357517484 /nfs/dbraw/zinc/51/74/84/357517484.db2.gz GWRBBTPHNHAQLV-HZPDHXFCSA-N 2 0 281.444 1.051 50 0 CDAARP C[NH2+]CC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000072468147 357837062 /nfs/dbraw/zinc/83/70/62/357837062.db2.gz SGDFCEGSIAIUFL-AWEZNQCLSA-N 2 0 295.814 1.640 50 0 CDAARP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1(C)C ZINC000097034519 357918949 /nfs/dbraw/zinc/91/89/49/357918949.db2.gz JSGVNUHOHKQLKE-RRFJBIMHSA-N 2 0 283.460 1.416 50 0 CDAARP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC000215059550 358871916 /nfs/dbraw/zinc/87/19/16/358871916.db2.gz RNWZKWCLEICPGA-UHFFFAOYSA-N 2 0 285.395 1.836 50 0 CDAARP Cc1nc(C(F)(F)F)ncc1CN1CC[C@@H](C[NH3+])C1 ZINC000426534414 360681360 /nfs/dbraw/zinc/68/13/60/360681360.db2.gz GVJCCNJHCZZCPZ-VIFPVBQESA-N 2 0 274.290 1.584 50 0 CDAARP C[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000089900973 366962188 /nfs/dbraw/zinc/96/21/88/366962188.db2.gz RLNHVMIYFVIJAV-VXGBXAGGSA-N 2 0 282.432 1.251 50 0 CDAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000299750901 375208720 /nfs/dbraw/zinc/20/87/20/375208720.db2.gz ORQWIPGFNICWQT-VHDGCEQUSA-N 2 0 275.396 1.628 50 0 CDAARP Cc1cc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)cc(C)[nH+]1 ZINC000072146125 291936887 /nfs/dbraw/zinc/93/68/87/291936887.db2.gz AOAGKSJTTSTKTD-HNNXBMFYSA-N 2 0 274.412 1.430 50 0 CDAARP O=C(O[C@@H]1C[NH+]2CCC1CC2)O[C@@H]1C[NH+]2CCC1CC2 ZINC000009476990 280073978 /nfs/dbraw/zinc/07/39/78/280073978.db2.gz ZRRREYQVNYFMNB-ZIAGYGMSSA-N 2 0 280.368 1.328 50 0 CDAARP [NH3+]C[C@@]12CCC[C@@H](C[N@H+](Cc3ccccc3)C1)[C@@H]2O ZINC000100427216 295261058 /nfs/dbraw/zinc/26/10/58/295261058.db2.gz QLVGVVNOORRUNH-JYJNAYRXSA-N 2 0 260.381 1.608 50 0 CDAARP Cc1nc2c([nH]1)CN(Cc1cnc(N(C)C)nc1)CC2 ZINC000670437244 482976912 /nfs/dbraw/zinc/97/69/12/482976912.db2.gz SJSXHYSQJWVNSQ-UHFFFAOYSA-N 2 0 272.356 1.132 50 0 CDAARP C[NH+](C)C[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1O ZINC000670462594 483050880 /nfs/dbraw/zinc/05/08/80/483050880.db2.gz FBSVUFZETMKRAB-LSDHHAIUSA-N 2 0 252.402 1.731 50 0 CDAARP COc1c(F)cccc1CNCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000952971004 617147120 /nfs/dbraw/zinc/14/71/20/617147120.db2.gz WQTXWKPSXZXBEO-CQSZACIVSA-N 2 0 296.386 1.771 50 0 CDAARP CC1(C)CN(C(=O)CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000952845053 910402341 /nfs/dbraw/zinc/40/23/41/910402341.db2.gz MOIJMARYLTZYHH-ZDUSSCGKSA-N 2 0 267.417 1.352 50 0 CDAARP COc1ccc(C[C@@H](C[NH3+])CO)cc1-c1c[nH+]ccc1N ZINC000952848532 910404545 /nfs/dbraw/zinc/40/45/45/910404545.db2.gz HDJUGUPZAKFVQV-LBPRGKRZSA-N 2 0 287.363 1.279 50 0 CDAARP CNc1cc(C)[nH+]c(N2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000071753367 936648187 /nfs/dbraw/zinc/64/81/87/936648187.db2.gz RPMPBJRLNCYSDV-UHFFFAOYSA-N 2 0 275.400 1.797 50 0 CDAARP OC1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000077337417 936739025 /nfs/dbraw/zinc/73/90/25/936739025.db2.gz QJMWYYYFTOYLOT-UHFFFAOYSA-N 2 0 261.369 1.507 50 0 CDAARP Cn1ccnc1CC[N@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690097 925723723 /nfs/dbraw/zinc/72/37/23/925723723.db2.gz LWZVJURFZRPMHE-ZDUSSCGKSA-N 2 0 264.417 1.625 50 0 CDAARP Cc1[nH+]c(N)nc(NC[C@H](O)C[NH+]2CCCCCC2)c1C ZINC000091574217 934869249 /nfs/dbraw/zinc/86/92/49/934869249.db2.gz XAQWDEOGYCATMS-ZDUSSCGKSA-N 2 0 293.415 1.324 50 0 CDAARP C[NH+](C)/C=C/C=C1/CC/C(=C/C=C/[NH+](C)C)C(=O)C1=O ZINC000032650308 342089318 /nfs/dbraw/zinc/08/93/18/342089318.db2.gz ZFCPBTAYRRWOII-KHHGWOSBSA-N 2 0 274.364 1.922 50 0 CDAARP CCc1[nH+]c(N)nc(NC[C@@H]2CC[N@H+](CCOC)C2)c1C ZINC000092045755 180310817 /nfs/dbraw/zinc/31/08/17/180310817.db2.gz NRSWRQZEMAYPAE-LBPRGKRZSA-N 2 0 293.415 1.310 50 0 CDAARP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436180 357472330 /nfs/dbraw/zinc/47/23/30/357472330.db2.gz WYSLSWFNDCYREB-KBPBESRZSA-N 2 0 267.417 1.319 50 0 CDAARP CCCCc1c(C)[nH+]c(N)nc1N1CC[C@@H]([NH+](C)C)C1 ZINC000091690429 358522255 /nfs/dbraw/zinc/52/22/55/358522255.db2.gz CZRSZPVWEHGANE-GFCCVEGCSA-N 2 0 277.416 1.850 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000262670352 359278919 /nfs/dbraw/zinc/27/89/19/359278919.db2.gz NLRHAMHFAWGMPF-CRWXNKLISA-N 2 0 267.417 1.303 50 0 CDAARP Cc1cc(Br)ccc1NC(=[NH2+])NC(N)=[NH2+] ZINC000000073409 364099807 /nfs/dbraw/zinc/09/98/07/364099807.db2.gz OWNFQZKEWYFEJG-UHFFFAOYSA-N 2 0 270.134 1.587 50 0 CDAARP CSCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252495536 367642320 /nfs/dbraw/zinc/64/23/20/367642320.db2.gz OSVOKESMUGCZDC-OCCSQVGLSA-N 2 0 299.484 1.542 50 0 CDAARP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000375749179 370951723 /nfs/dbraw/zinc/95/17/23/370951723.db2.gz MTRDMPWNQROHFW-LSDHHAIUSA-N 2 0 283.485 1.451 50 0 CDAARP c1cc2cnccc2c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000426486170 391466596 /nfs/dbraw/zinc/46/65/96/391466596.db2.gz ZGJYKZUGTVTVPE-KRWDZBQOSA-N 2 0 296.418 1.714 50 0 CDAARP [NH3+]C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000178576294 295274329 /nfs/dbraw/zinc/27/43/29/295274329.db2.gz SWEYIZQHKBFPHY-OAHLLOKOSA-N 2 0 287.407 1.703 50 0 CDAARP C[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]1 ZINC000295007037 300519785 /nfs/dbraw/zinc/51/97/85/300519785.db2.gz LTXPECZXWKMTAZ-BLLLJJGKSA-N 2 0 287.407 1.245 50 0 CDAARP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757216153 574908126 /nfs/dbraw/zinc/90/81/26/574908126.db2.gz YCCRSESSTVICKV-MMWGEVLESA-N 2 0 265.323 1.244 50 0 CDAARP CC[C@@H](C(=O)N1CC[NH+](CC2CCC2)CC1)[N@H+](C)CC ZINC000952974651 615371204 /nfs/dbraw/zinc/37/12/04/615371204.db2.gz QJFSGROMGVNPKV-HNNXBMFYSA-N 2 0 281.444 1.661 50 0 CDAARP CCOC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000239352753 361745421 /nfs/dbraw/zinc/74/54/21/361745421.db2.gz ADKWJLPWNCWVKV-DZGCQCFKSA-N 2 0 280.412 1.888 50 0 CDAARP NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000004533972 356035304 /nfs/dbraw/zinc/03/53/04/356035304.db2.gz DICSXQHGGOAUNU-CQSZACIVSA-N 2 0 299.378 1.369 50 0 CDAARP [NH2+]=C1NC(=[NH2+])N(c2ccccc2)C2(CCCCC2)N1 ZINC000000273390 356813900 /nfs/dbraw/zinc/81/39/00/356813900.db2.gz PAOQYQJSNZBMSM-UHFFFAOYSA-N 2 0 257.341 1.796 50 0 CDAARP CN(C)C(=O)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200691 358188570 /nfs/dbraw/zinc/18/85/70/358188570.db2.gz YPRSIARTUYADAX-CYBMUJFWSA-N 2 0 276.384 1.294 50 0 CDAARP Cc1ccc([C@@H]2C[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C[C@H]2N(C)C)cc1 ZINC000102444763 358878953 /nfs/dbraw/zinc/87/89/53/358878953.db2.gz XTSYXNFJWKVXQO-ZWJWXYIHSA-N 2 0 299.462 1.790 50 0 CDAARP O[C@H]1CC[C@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000244816818 377795633 /nfs/dbraw/zinc/79/56/33/377795633.db2.gz SOYNKTZQUOMXEU-KOMQPUFPSA-N 2 0 275.396 1.755 50 0 CDAARP Cc1cc(N2CCC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc[nH+]1 ZINC000101853442 390460436 /nfs/dbraw/zinc/46/04/36/390460436.db2.gz XQNQNGLJVYWDDM-FVQHAEBGSA-N 2 0 286.423 1.368 50 0 CDAARP CCOC(=O)N1CCC[C@@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000040457337 174268061 /nfs/dbraw/zinc/26/80/61/174268061.db2.gz IOHZAHYPOHFUCU-LBPRGKRZSA-N 2 0 269.389 1.278 50 0 CDAARP Cc1cccc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000072151327 176327231 /nfs/dbraw/zinc/32/72/31/176327231.db2.gz ZNGJVWZAWQMARB-KRWDZBQOSA-N 2 0 273.424 1.722 50 0 CDAARP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000568531455 294055840 /nfs/dbraw/zinc/05/58/40/294055840.db2.gz DVVKOQVHOUSRFK-CQSZACIVSA-N 2 0 288.395 1.181 50 0 CDAARP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC([NH+]3CCSCC3)CC2)C1 ZINC000534654329 328338840 /nfs/dbraw/zinc/33/88/40/328338840.db2.gz CSCDKSLQKSKUIH-QWHCGFSZSA-N 2 0 297.468 1.154 50 0 CDAARP c1cc2ccc(CN3C[C@@H]4CC[C@H]3C[NH2+]C4)nc2[nH]1 ZINC000534669035 328346311 /nfs/dbraw/zinc/34/63/11/328346311.db2.gz HYLUAIMIKLTINH-RISCZKNCSA-N 2 0 256.353 1.747 50 0 CDAARP O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H]1C=CC[NH2+]1 ZINC000827690923 925956247 /nfs/dbraw/zinc/95/62/47/925956247.db2.gz MZVZTDOQSONIAQ-CQSZACIVSA-N 2 0 291.420 1.357 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000095967233 185046267 /nfs/dbraw/zinc/04/62/67/185046267.db2.gz UQFKKWPTQOXWER-RDBSUJKOSA-N 2 0 250.390 1.592 50 0 CDAARP C[C@H]1CC[C@@H](CO)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000097103395 342192086 /nfs/dbraw/zinc/19/20/86/342192086.db2.gz ZOCTYLFWRJDOBT-LSDHHAIUSA-N 2 0 254.418 1.955 50 0 CDAARP O=C1CCCN1CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065465858 361906440 /nfs/dbraw/zinc/90/64/40/361906440.db2.gz AHTOQJPTSSZUNH-CQSZACIVSA-N 2 0 288.395 1.438 50 0 CDAARP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021395 185153974 /nfs/dbraw/zinc/15/39/74/185153974.db2.gz FCULVMSQGYSJCJ-RRFJBIMHSA-N 2 0 295.427 1.728 50 0 CDAARP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000091391818 180144786 /nfs/dbraw/zinc/14/47/86/180144786.db2.gz HYDDFZUEMOQMGY-LSDHHAIUSA-N 2 0 275.396 1.109 50 0 CDAARP COCC[NH+]1CCC(C[NH2+]C[C@H]2CCCO2)CC1 ZINC000019735510 356498478 /nfs/dbraw/zinc/49/84/78/356498478.db2.gz YVGXBFMCKWLPCN-CQSZACIVSA-N 2 0 256.390 1.113 50 0 CDAARP COCc1ncc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000067833866 357629647 /nfs/dbraw/zinc/62/96/47/357629647.db2.gz GTMXWJLJFUZHOA-INIZCTEOSA-N 2 0 290.411 1.541 50 0 CDAARP Nc1nnc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000067956122 357640732 /nfs/dbraw/zinc/64/07/32/357640732.db2.gz SERLQVYOUGPJQO-UHFFFAOYSA-N 2 0 295.456 1.565 50 0 CDAARP C[NH+](C)CCCOc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000242273791 189905433 /nfs/dbraw/zinc/90/54/33/189905433.db2.gz YFYHFDIJQADESS-UHFFFAOYSA-N 2 0 290.411 1.456 50 0 CDAARP CC[N@@H+]1CCC[C@@H](CN2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000244882728 377798537 /nfs/dbraw/zinc/79/85/37/377798537.db2.gz XXLRJADSHBDTDM-CVEARBPZSA-N 2 0 265.445 1.888 50 0 CDAARP CC(C)O[C@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1O ZINC000067784585 390576000 /nfs/dbraw/zinc/57/60/00/390576000.db2.gz QBVFOVRKECUTJN-HOTGVXAUSA-N 2 0 296.455 1.769 50 0 CDAARP [NH3+]CCc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000244734286 391044294 /nfs/dbraw/zinc/04/42/94/391044294.db2.gz NCSRZYPYRWMPGG-KRWDZBQOSA-N 2 0 273.424 1.858 50 0 CDAARP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388931228 397809156 /nfs/dbraw/zinc/80/91/56/397809156.db2.gz QNBXZNXFHBQBFT-IHRRRGAJSA-N 2 0 258.406 1.092 50 0 CDAARP Nc1cccc(C(=[NH2+])NCCNC(=[NH2+])c2cccc(N)c2)c1 ZINC000004014027 169930164 /nfs/dbraw/zinc/93/01/64/169930164.db2.gz MFEWLPMTUWGYHP-UHFFFAOYSA-N 2 0 296.378 1.381 50 0 CDAARP C[NH2+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299739502 277020305 /nfs/dbraw/zinc/02/03/05/277020305.db2.gz PKDZGVWNVDQEIN-ZIAGYGMSSA-N 2 0 267.417 1.319 50 0 CDAARP C[C@H](C(N)=O)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821647 289392695 /nfs/dbraw/zinc/39/26/95/289392695.db2.gz INZHNGFEGXCBED-CYBMUJFWSA-N 2 0 290.411 1.494 50 0 CDAARP CCc1ccc(C[NH2+]CCNc2cc[nH+]cc2C)nc1 ZINC000952968153 615673843 /nfs/dbraw/zinc/67/38/43/615673843.db2.gz JZTALXGFIMXLIB-UHFFFAOYSA-N 2 0 270.380 1.971 50 0 CDAARP c1nn(-c2ccccc2)cc1CC[NH2+]C[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000952976687 910527315 /nfs/dbraw/zinc/52/73/15/910527315.db2.gz UDBJEKCTLCERCP-OSYLJGHBSA-N 2 0 282.391 1.470 50 0 CDAARP COCC[N@@H+]1CC[C@@H](C[NH2+]C2CSCCSC2)C1 ZINC000824412471 925820803 /nfs/dbraw/zinc/82/08/03/925820803.db2.gz WEWGTKZMKDEOKA-LBPRGKRZSA-N 2 0 290.498 1.393 50 0 CDAARP c1c(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)onc1-c1ccncc1 ZINC001506422003 975158198 /nfs/dbraw/zinc/15/81/98/975158198.db2.gz MQXVNDFYVGFWNQ-MDBPOYHNSA-N 2 0 296.374 1.919 50 0 CDAARP CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)C[NH+]1CCCCCCC1 ZINC000584892458 349351972 /nfs/dbraw/zinc/35/19/72/349351972.db2.gz AOZKMVLDOHNRND-GJZGRUSLSA-N 2 0 297.443 1.088 50 0 CDAARP C[NH+]1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000019257558 356478139 /nfs/dbraw/zinc/47/81/39/356478139.db2.gz OVCNUPZAXKIGQJ-CYBMUJFWSA-N 2 0 253.777 1.587 50 0 CDAARP CC1(N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000023471841 356643767 /nfs/dbraw/zinc/64/37/67/356643767.db2.gz VSXHNVXVLCRGOO-UHFFFAOYSA-N 2 0 273.424 1.946 50 0 CDAARP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036135345 356862111 /nfs/dbraw/zinc/86/21/11/356862111.db2.gz HHSHRDJOGQTWNB-KBMXLJTQSA-N 2 0 293.455 1.850 50 0 CDAARP O[C@]1(C[NH2+]CCCCc2ccccn2)CCC[NH2+]C1 ZINC000072463319 357836851 /nfs/dbraw/zinc/83/68/51/357836851.db2.gz HBMDIDULWFDOLR-HNNXBMFYSA-N 2 0 263.385 1.108 50 0 CDAARP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261635745 359546955 /nfs/dbraw/zinc/54/69/55/359546955.db2.gz DEFYUULXLSEVAW-CHWSQXEVSA-N 2 0 269.433 1.693 50 0 CDAARP CC[N@H+](CCNC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000089969208 366990323 /nfs/dbraw/zinc/99/03/23/366990323.db2.gz YFDFVVCZSMNIDD-UHFFFAOYSA-N 2 0 294.443 1.397 50 0 CDAARP O[C@@]1(C[NH2+]C[C@H]2CCCO2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063883962 371047170 /nfs/dbraw/zinc/04/71/70/371047170.db2.gz QLHFEGQNRSVSHQ-RBSFLKMASA-N 2 0 268.401 1.134 50 0 CDAARP C[NH+]1CCC(OCCC[NH2+][C@H]2CCCSC2)CC1 ZINC000534665974 328345119 /nfs/dbraw/zinc/34/51/19/328345119.db2.gz LOTIRVSQTPDIJY-ZDUSSCGKSA-N 2 0 272.458 1.973 50 0 CDAARP [NH3+]C[C@@H]1C[NH2+]C[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757218611 574909556 /nfs/dbraw/zinc/90/95/56/574909556.db2.gz VHILDOGCIBXCCO-LMLFDSFASA-N 2 0 265.323 1.101 50 0 CDAARP c1cc2c(cccc2C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000426596669 684937412 /nfs/dbraw/zinc/93/74/12/684937412.db2.gz WKGWSZZNEGINQD-OAHLLOKOSA-N 2 0 284.407 1.647 50 0 CDAARP CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000952868756 910415156 /nfs/dbraw/zinc/41/51/56/910415156.db2.gz ABRFIRSNJFGRJT-DGAVXFQQSA-N 2 0 262.401 1.353 50 0 CDAARP COCCOCC[N@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000824447763 925823982 /nfs/dbraw/zinc/82/39/82/925823982.db2.gz WNHOLVLPTRVANW-CYBMUJFWSA-N 2 0 258.406 1.312 50 0 CDAARP OCC[NH+]1CCN(C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000019877271 356513543 /nfs/dbraw/zinc/51/35/43/356513543.db2.gz CIYLQGMJOMSISA-UHFFFAOYSA-N 2 0 295.471 1.393 50 0 CDAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000000757102 356813839 /nfs/dbraw/zinc/81/38/39/356813839.db2.gz BFHADDFHSMDVKN-LBPRGKRZSA-N 2 0 253.390 1.058 50 0 CDAARP C[C@H]([NH2+]CC1(Cn2ccnc2)CC1)C(=O)NC1CCCC1 ZINC000065493816 357544076 /nfs/dbraw/zinc/54/40/76/357544076.db2.gz HWVWUZMROQOFMM-ZDUSSCGKSA-N 2 0 290.411 1.700 50 0 CDAARP CC(C)(C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)S(C)(=O)=O ZINC000097102381 357972186 /nfs/dbraw/zinc/97/21/86/357972186.db2.gz IKIKHKJEFKIIAG-UHFFFAOYSA-N 2 0 290.473 1.708 50 0 CDAARP C[NH+](C)Cc1ccc(C(=O)NCCc2ncc[nH]2)cc1 ZINC000135487047 361596744 /nfs/dbraw/zinc/59/67/44/361596744.db2.gz VFVJNVHILHHLEU-UHFFFAOYSA-N 2 0 272.352 1.444 50 0 CDAARP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246750776 392018192 /nfs/dbraw/zinc/01/81/92/392018192.db2.gz ZVKPLFGNDYTKEV-KFWWJZLASA-N 2 0 281.444 1.837 50 0 CDAARP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408370 173185310 /nfs/dbraw/zinc/18/53/10/173185310.db2.gz GIZRRICXDPWZOI-ZDUSSCGKSA-N 2 0 262.401 1.611 50 0 CDAARP COc1ccc(SCC[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC000077406182 177263923 /nfs/dbraw/zinc/26/39/23/177263923.db2.gz LRUSDYBCFOTZIO-AWEZNQCLSA-N 2 0 282.409 1.101 50 0 CDAARP CNC(=O)C[C@@H]1CC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000670455287 483031403 /nfs/dbraw/zinc/03/14/03/483031403.db2.gz OFACTCPBFUZCEE-AWEZNQCLSA-N 2 0 293.455 1.851 50 0 CDAARP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000864097315 694545873 /nfs/dbraw/zinc/54/58/73/694545873.db2.gz SKXRPQMNTQSMQS-HIFRSBDPSA-N 2 0 278.396 1.404 50 0 CDAARP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(OC)c2)C1 ZINC001506409479 975152741 /nfs/dbraw/zinc/15/27/41/975152741.db2.gz RAQRRNLHTQIUOK-AWEZNQCLSA-N 2 0 296.386 1.892 50 0 CDAARP CCc1nccn1C[C@@H](C)[N@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428310 975161967 /nfs/dbraw/zinc/16/19/67/975161967.db2.gz PXFIOUNQOJRUBC-TUVASFSCSA-N 2 0 276.428 1.573 50 0 CDAARP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC000193986351 342590989 /nfs/dbraw/zinc/59/09/89/342590989.db2.gz XVQKCWVRVCPVDG-CQSZACIVSA-N 2 0 299.378 1.481 50 0 CDAARP COc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])cc1 ZINC000244840215 361866474 /nfs/dbraw/zinc/86/64/74/361866474.db2.gz UIYDPQWMBZQAJA-VIKVFOODSA-N 2 0 276.380 1.743 50 0 CDAARP C[C@H]1CC[C@H](CO)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000097103393 342192061 /nfs/dbraw/zinc/19/20/61/342192061.db2.gz ZOCTYLFWRJDOBT-GJZGRUSLSA-N 2 0 254.418 1.955 50 0 CDAARP Cn1ncc2c1CCCN(C[C@H](C[NH3+])C[C@H]1CCOC1)C2 ZINC000685940798 539045903 /nfs/dbraw/zinc/04/59/03/539045903.db2.gz VMGXTLUEHMTDIL-KGLIPLIRSA-N 2 0 292.427 1.170 50 0 CDAARP CC(C)[C@@H]1[N@H+](Cc2ccccc2)C[C@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944110 539046059 /nfs/dbraw/zinc/04/60/59/539046059.db2.gz LVUNZYDAQWYWGR-WCXIOVBPSA-N 2 0 274.408 1.995 50 0 CDAARP Cc1ccccc1CN1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000101842057 358862227 /nfs/dbraw/zinc/86/22/27/358862227.db2.gz RZOBLOXEVMSTLW-PIIMJCKOSA-N 2 0 285.435 1.578 50 0 CDAARP OCC1(C[NH+]2CCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000223441450 359427112 /nfs/dbraw/zinc/42/71/12/359427112.db2.gz YWBXEHARHXWKKQ-UHFFFAOYSA-N 2 0 275.396 1.756 50 0 CDAARP Cc1nc2ccccc2n1CC(=O)N1CCN(C)C[C@H]1C ZINC000089729938 360186083 /nfs/dbraw/zinc/18/60/83/360186083.db2.gz CHIQBRFCZPSXHZ-GFCCVEGCSA-N 2 0 286.379 1.507 50 0 CDAARP C[NH+](C)CCCNC(=O)c1csc2c1CC[NH2+]C2 ZINC000299803967 372772677 /nfs/dbraw/zinc/77/26/77/372772677.db2.gz NMNQGOSGSYYKRS-UHFFFAOYSA-N 2 0 267.398 1.075 50 0 CDAARP CC1=C[C@H](C)[C@@H](C[NH2+]CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000169681315 391830522 /nfs/dbraw/zinc/83/05/22/391830522.db2.gz VYWIPLBVFRKSKW-HRCADAONSA-N 2 0 265.445 1.720 50 0 CDAARP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000178980452 140011101 /nfs/dbraw/zinc/01/11/01/140011101.db2.gz BORKZAYWQYYTFJ-AWEZNQCLSA-N 2 0 289.427 1.403 50 0 CDAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000091392049 289294454 /nfs/dbraw/zinc/29/44/54/289294454.db2.gz KREYCRCOJQIIBC-HUUCEWRRSA-N 2 0 275.396 1.282 50 0 CDAARP Cc1cc(N2CC[NH+](C3CCCC3)CC2)nc(N)[nH+]1 ZINC000034639264 274706714 /nfs/dbraw/zinc/70/67/14/274706714.db2.gz ZKYJHNKMCVUAPX-UHFFFAOYSA-N 2 0 261.373 1.432 50 0 CDAARP CC(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974253 280238528 /nfs/dbraw/zinc/23/85/28/280238528.db2.gz IWMRMUHLKWTPGN-BBWFWOEESA-N 2 0 295.471 1.560 50 0 CDAARP C[C@H](CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000247107086 289416014 /nfs/dbraw/zinc/41/60/14/289416014.db2.gz KYKGFSRAWJLFPN-LJISPDSOSA-N 2 0 281.444 1.598 50 0 CDAARP C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCCn1ccnc1 ZINC000426551090 695296852 /nfs/dbraw/zinc/29/68/52/695296852.db2.gz IXMHRMOBBOAWQZ-BETUJISGSA-N 2 0 264.373 1.262 50 0 CDAARP CCc1nccn1C[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426411540 695983841 /nfs/dbraw/zinc/98/38/41/695983841.db2.gz SGSNBQCRDIZVAH-AWEZNQCLSA-N 2 0 276.428 1.910 50 0 CDAARP OC[C@]12C[NH2+]C[C@@H]1C[N@H+](CCC1CCCCCC1)C2 ZINC001772707456 1159441224 /nfs/dbraw/zinc/44/12/24/1159441224.db2.gz SXFYLWIQYRJDBJ-HZPDHXFCSA-N 2 0 266.429 1.861 50 0 CDAARP CC[N@H+](C)C(C)(C)CNC(=O)[C@@H](C)n1ccnc1C ZINC000426624952 723943833 /nfs/dbraw/zinc/94/38/33/723943833.db2.gz YYXYBLURYOKWMX-LLVKDONJSA-N 2 0 266.389 1.599 50 0 CDAARP CC[C@H]1CN(c2nc(C)nc3c2CC[NH2+]CC3)CC[N@@H+]1C ZINC000065395804 725208598 /nfs/dbraw/zinc/20/85/98/725208598.db2.gz IXNVSTOELZHSGX-ZDUSSCGKSA-N 2 0 289.427 1.004 50 0 CDAARP Cc1nn(C)c(Cl)c1C[NH2+]CCNc1cc[nH+]cc1C ZINC000952990740 725340105 /nfs/dbraw/zinc/34/01/05/725340105.db2.gz WRLKMKZRVGPAQQ-UHFFFAOYSA-N 2 0 293.802 1.709 50 0 CDAARP COC(C)(C)C[C@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000824250068 925811435 /nfs/dbraw/zinc/81/14/35/925811435.db2.gz CJZHXCJMUFNZLM-HNNXBMFYSA-N 2 0 297.487 1.807 50 0 CDAARP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CCN1Cc1ccccc1 ZINC000585116790 930970017 /nfs/dbraw/zinc/97/00/17/930970017.db2.gz IMUABNCEBOZPJN-UAGQMJEPSA-N 2 0 292.423 1.325 50 0 CDAARP Cn1ncc2c1CCCN(C[C@@H](C[NH3+])C[C@H]1CCOC1)C2 ZINC000685940801 539045858 /nfs/dbraw/zinc/04/58/58/539045858.db2.gz VMGXTLUEHMTDIL-ZIAGYGMSSA-N 2 0 292.427 1.170 50 0 CDAARP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000126868185 187266347 /nfs/dbraw/zinc/26/63/47/187266347.db2.gz MONGLGSQUFTSFX-ARFHVFGLSA-N 2 0 284.444 1.580 50 0 CDAARP COc1cc(OC)c(OC)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434705 356258626 /nfs/dbraw/zinc/25/86/26/356258626.db2.gz BMPDDNADUDMXGM-UHFFFAOYSA-N 2 0 294.395 1.802 50 0 CDAARP C[NH+](C)CCOc1ccccc1CN1CC[C@H]([NH+](C)C)C1 ZINC000216217452 358931688 /nfs/dbraw/zinc/93/16/88/358931688.db2.gz GKYWAVOLOSJJEC-INIZCTEOSA-N 2 0 291.439 1.763 50 0 CDAARP Nc1nc(NCC[NH+]2CCCCC2)cc(C2CC([NH3+])C2)n1 ZINC000219207937 359082847 /nfs/dbraw/zinc/08/28/47/359082847.db2.gz ZJHCQCSKJPVHBS-UHFFFAOYSA-N 2 0 290.415 1.161 50 0 CDAARP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299739028 375199670 /nfs/dbraw/zinc/19/96/70/375199670.db2.gz JPWSMXSUBOAJBG-OLZOCXBDSA-N 2 0 253.390 1.201 50 0 CDAARP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000195554598 393294901 /nfs/dbraw/zinc/29/49/01/393294901.db2.gz UUIVQKHBAVRWQA-SDADXPQNSA-N 2 0 293.455 1.835 50 0 CDAARP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3)C[C@@H]12 ZINC000261856021 140398849 /nfs/dbraw/zinc/39/88/49/140398849.db2.gz XEGNLKHGZQVCOH-NWANDNLSSA-N 2 0 273.380 1.684 50 0 CDAARP NC(=[NH2+])NCCCCCCCCCCNC(N)=[NH2+] ZINC000003995661 169927977 /nfs/dbraw/zinc/92/79/77/169927977.db2.gz OZZMUVKANAPKGI-UHFFFAOYSA-N 2 0 256.398 1.073 50 0 in-vitro CDAARP CC(C)C[N@H+](Cc1ccsc1)C[C@@]1(O)CC[NH2+]C1 ZINC000077505352 177276378 /nfs/dbraw/zinc/27/63/78/177276378.db2.gz OIQDKDLVHOCSMJ-CQSZACIVSA-N 2 0 268.426 1.931 50 0 CDAARP CN1CCC[N@H+](CCCc2ccco2)CC12CC[NH2+]CC2 ZINC000534669368 328346682 /nfs/dbraw/zinc/34/66/82/328346682.db2.gz JMYHUWNCXWXBAW-UHFFFAOYSA-N 2 0 291.439 1.972 50 0 CDAARP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@H+](C)Cc3ncc[nH]3)C[C@@H]2C1 ZINC001704356601 1177700714 /nfs/dbraw/zinc/70/07/14/1177700714.db2.gz GXOSBTDEJKKGKJ-KPWCQOOUSA-N 2 0 262.401 1.960 50 0 CDAARP CCc1nc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000067895150 728256859 /nfs/dbraw/zinc/25/68/59/728256859.db2.gz RPAHGHPSTUGIOD-UHFFFAOYSA-N 2 0 262.401 1.856 50 0 CDAARP C[C@@H]1C[C@@H](C[C@H]([NH3+])C2(O)CC[NH2+]CC2)C[C@H](C)O1 ZINC000958528000 728332625 /nfs/dbraw/zinc/33/26/25/728332625.db2.gz LOZNDGXDZWMNDC-RNJOBUHISA-N 2 0 256.390 1.022 50 0 CDAARP O=C1CCCN1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065465854 361906790 /nfs/dbraw/zinc/90/67/90/361906790.db2.gz AHTOQJPTSSZUNH-AWEZNQCLSA-N 2 0 288.395 1.438 50 0 CDAARP CC(C)[C@@H]1[N@H+](Cc2ccccc2)C[C@@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944107 539046085 /nfs/dbraw/zinc/04/60/85/539046085.db2.gz LVUNZYDAQWYWGR-NCOADZHNSA-N 2 0 274.408 1.995 50 0 CDAARP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178540720 362245014 /nfs/dbraw/zinc/24/50/14/362245014.db2.gz VIMIYRCFXNXEFN-ZDUSSCGKSA-N 2 0 261.369 1.169 50 0 CDAARP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000299738851 283060785 /nfs/dbraw/zinc/06/07/85/283060785.db2.gz HIFOSNHLGVMIIQ-IHRRRGAJSA-N 2 0 267.417 1.304 50 0 CDAARP C[C@H](CO)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000065417352 357540553 /nfs/dbraw/zinc/54/05/53/357540553.db2.gz DFDDWUDVUNDSST-OAHLLOKOSA-N 2 0 276.424 1.912 50 0 CDAARP CC(=O)NCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200742 358188645 /nfs/dbraw/zinc/18/86/45/358188645.db2.gz YZSQZTHVIIWSEE-AWEZNQCLSA-N 2 0 276.384 1.342 50 0 CDAARP C[NH+](C)CCc1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000134766308 363607603 /nfs/dbraw/zinc/60/76/03/363607603.db2.gz RWSTWKIDDFVBEH-GFCCVEGCSA-N 2 0 260.341 1.416 50 0 CDAARP Nc1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000095522285 358696452 /nfs/dbraw/zinc/69/64/52/358696452.db2.gz PVNUNZXIHNBSEO-UHFFFAOYSA-N 2 0 261.373 1.514 50 0 CDAARP CN1CCC[N@@H+]([C@@H]2CCSC2)CC12CC[NH2+]CC2 ZINC000426701767 360698089 /nfs/dbraw/zinc/69/80/89/360698089.db2.gz XWTTXPXOHIXGRA-CYBMUJFWSA-N 2 0 269.458 1.252 50 0 CDAARP CC[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000122370563 367007380 /nfs/dbraw/zinc/00/73/80/367007380.db2.gz OFXRXVXZBXEYJF-GZBFAFLISA-N 2 0 265.401 1.262 50 0 CDAARP CC(C)[NH+]1CCC(CN2CCN3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000065387803 390552237 /nfs/dbraw/zinc/55/22/37/390552237.db2.gz ZUWMMWASXDKCJA-QGZVFWFLSA-N 2 0 294.487 1.038 50 0 CDAARP Cc1nc(N2CC[NH2+][C@@H](c3ccccc3)C2)cc(N)[nH+]1 ZINC000091768818 135073671 /nfs/dbraw/zinc/07/36/71/135073671.db2.gz ALUSIDXCXLQOEZ-CYBMUJFWSA-N 2 0 269.352 1.518 50 0 CDAARP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000071721417 176252788 /nfs/dbraw/zinc/25/27/88/176252788.db2.gz DQWUJOKZUVDXDT-QWHCGFSZSA-N 2 0 253.390 1.057 50 0 CDAARP CSC[C@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000534635497 328333525 /nfs/dbraw/zinc/33/35/25/328333525.db2.gz DBKLUFGOJBREFS-ZDUSSCGKSA-N 2 0 271.474 1.355 50 0 CDAARP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711464 1159446308 /nfs/dbraw/zinc/44/63/08/1159446308.db2.gz YZVUTMBLYXAVPR-CJNGLKHVSA-N 2 0 264.413 1.613 50 0 CDAARP C[NH+]1CCC(OCCC[NH2+][C@@H]2CCCOC2)CC1 ZINC000823764915 925727587 /nfs/dbraw/zinc/72/75/87/925727587.db2.gz OUOAZRQQDFNOFX-CYBMUJFWSA-N 2 0 256.390 1.256 50 0 CDAARP CCc1c(C)[nH+]c(N)nc1NC[C@H]1CCC[N@H+](CCO)C1 ZINC000095369794 934972015 /nfs/dbraw/zinc/97/20/15/934972015.db2.gz LARUNIYMHMYCLF-GFCCVEGCSA-N 2 0 293.415 1.046 50 0 CDAARP CC[N@@H+]1CCC[C@@H]1CN1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC001506409362 975153141 /nfs/dbraw/zinc/15/31/41/975153141.db2.gz ZFMNAFJXOPSECS-MRXNPFEDSA-N 2 0 294.487 1.183 50 0 CDAARP Cc1cccc(C[N@@H+]2CCCN(CCC[NH3+])CC2)c1 ZINC000037038104 356897123 /nfs/dbraw/zinc/89/71/23/356897123.db2.gz ZROSKQRSATUSPG-UHFFFAOYSA-N 2 0 261.413 1.852 50 0 CDAARP CCc1cc(N[C@@H]2CC[C@@H]([NH3+])C2)nc(N2CCOCC2)[nH+]1 ZINC000067850782 357632573 /nfs/dbraw/zinc/63/25/73/357632573.db2.gz ZVQAGYCBNVYUEA-DGCLKSJQSA-N 2 0 291.399 1.167 50 0 CDAARP Cc1nc2ccccc2n1CC(=O)N1CCN(C)C[C@@H]1C ZINC000089729936 360186187 /nfs/dbraw/zinc/18/61/87/360186187.db2.gz CHIQBRFCZPSXHZ-LBPRGKRZSA-N 2 0 286.379 1.507 50 0 CDAARP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1(C)C ZINC000108461802 412829405 /nfs/dbraw/zinc/82/94/05/412829405.db2.gz JSGVNUHOHKQLKE-RBSFLKMASA-N 2 0 283.460 1.416 50 0 CDAARP CC1CC[NH+](CCSc2nnnn2CC[NH+](C)C)CC1 ZINC000095427372 184979676 /nfs/dbraw/zinc/97/96/76/184979676.db2.gz APCUNBNXOFDUQN-UHFFFAOYSA-N 2 0 298.460 1.059 50 0 CDAARP [NH3+]CCCCCNC(=O)CC[NH+]1CCCCCCC1 ZINC000055120434 390488441 /nfs/dbraw/zinc/48/84/41/390488441.db2.gz QPFZQVHDUBRFTK-UHFFFAOYSA-N 2 0 269.433 1.888 50 0 CDAARP CCN(CC[NH+]1CCCCCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000055107417 390487314 /nfs/dbraw/zinc/48/73/14/390487314.db2.gz OPRHOWLTJSIPKS-HNNXBMFYSA-N 2 0 297.443 1.089 50 0 CDAARP O=C(C[NH+]1CCCCCCC1)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000534631128 328331354 /nfs/dbraw/zinc/33/13/54/328331354.db2.gz DYXXOSIGZAUFCZ-CABCVRRESA-N 2 0 279.428 1.463 50 0 CDAARP Cc1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1=O ZINC000534661143 328349054 /nfs/dbraw/zinc/34/90/54/328349054.db2.gz SATDPOMUBXNKBF-UHFFFAOYSA-N 2 0 275.396 1.567 50 0 CDAARP Cc1nccn1C[C@@H](C)[NH2+]CCCOC1CC[NH+](C)CC1 ZINC000823764923 925727219 /nfs/dbraw/zinc/72/72/19/925727219.db2.gz OYLXZTCLCUNOHO-CQSZACIVSA-N 2 0 294.443 1.671 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H](C)C[NH+]1CCCC1 ZINC000827627143 925952191 /nfs/dbraw/zinc/95/21/91/925952191.db2.gz GHRXGQKWDBXGLS-AWEZNQCLSA-N 2 0 290.411 1.072 50 0 CDAARP Cn1ncc2c1CCCN(C[C@@H](C[NH3+])C[C@@H]1CCOC1)C2 ZINC000685940799 539045876 /nfs/dbraw/zinc/04/58/76/539045876.db2.gz VMGXTLUEHMTDIL-UONOGXRCSA-N 2 0 292.427 1.170 50 0 CDAARP CC[N@H+](C)C[C@H](C)CNc1nc(N)[nH+]c(C)c1C ZINC000091518849 180177399 /nfs/dbraw/zinc/17/73/99/180177399.db2.gz NNPXTWJQIUJPFW-SECBINFHSA-N 2 0 251.378 1.675 50 0 CDAARP C[NH+]1CCN(C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000019852699 356511054 /nfs/dbraw/zinc/51/10/54/356511054.db2.gz KVGWTDIHYZXFPK-AWEZNQCLSA-N 2 0 272.396 1.285 50 0 CDAARP c1ccc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000042783413 357080361 /nfs/dbraw/zinc/08/03/61/357080361.db2.gz QJXXOYPSGWVSLA-MRXNPFEDSA-N 2 0 259.397 1.414 50 0 CDAARP CCn1cc(CN(C)C[C@H]2CC[N@H+](CCOC)C2)cn1 ZINC000097532341 358782169 /nfs/dbraw/zinc/78/21/69/358782169.db2.gz ADKAZLIEYUEZAJ-CQSZACIVSA-N 2 0 280.416 1.303 50 0 CDAARP Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000215518384 358893413 /nfs/dbraw/zinc/89/34/13/358893413.db2.gz ZBXKHXVQOIUOEB-OAHLLOKOSA-N 2 0 275.396 1.857 50 0 CDAARP C[C@@H](CCNC(=O)C[NH+]1CCCC1)n1ccnc1 ZINC000219028502 359076518 /nfs/dbraw/zinc/07/65/18/359076518.db2.gz HJKDRTWMLSRITO-LBPRGKRZSA-N 2 0 250.346 1.046 50 0 CDAARP O=C([C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)N1CCSCC1 ZINC000252509749 367660791 /nfs/dbraw/zinc/66/07/91/367660791.db2.gz YUUIEZRCQDSMRA-CQSZACIVSA-N 2 0 297.468 1.026 50 0 CDAARP [NH3+][C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569266 131234282 /nfs/dbraw/zinc/23/42/82/131234282.db2.gz GBDOBAJGPYINKA-BFHYXJOUSA-N 2 0 261.369 1.320 50 0 CDAARP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648040 131246362 /nfs/dbraw/zinc/24/63/62/131246362.db2.gz PMGFVAIOALYKQM-UKRRQHHQSA-N 2 0 275.396 1.375 50 0 CDAARP Cc1nc(N2CC[NH2+][C@H](c3ccccc3)C2)cc(N)[nH+]1 ZINC000091768816 135074050 /nfs/dbraw/zinc/07/40/50/135074050.db2.gz ALUSIDXCXLQOEZ-ZDUSSCGKSA-N 2 0 269.352 1.518 50 0 CDAARP C[NH+]1CCN(CCC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000020128304 171014323 /nfs/dbraw/zinc/01/43/23/171014323.db2.gz MHLPMPRUUZZESP-UHFFFAOYSA-N 2 0 265.376 1.553 50 0 CDAARP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000037824219 295277740 /nfs/dbraw/zinc/27/77/40/295277740.db2.gz UZTUDBRZYQZFPH-MRXNPFEDSA-N 2 0 287.407 1.846 50 0 CDAARP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000299738595 303465920 /nfs/dbraw/zinc/46/59/20/303465920.db2.gz CPSSXBMUORADFB-ARFHVFGLSA-N 2 0 293.455 1.981 50 0 CDAARP C[NH+]1CCC(OCCC[NH2+][C@H]2CCCOC2)CC1 ZINC000823764918 925728482 /nfs/dbraw/zinc/72/84/82/925728482.db2.gz OUOAZRQQDFNOFX-ZDUSSCGKSA-N 2 0 256.390 1.256 50 0 CDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CCN(c3ccccc3)C1)C2 ZINC001506400449 975148831 /nfs/dbraw/zinc/14/88/31/975148831.db2.gz VGXKAHZYEKFHFU-WTTBNOFXSA-N 2 0 271.408 1.934 50 0 CDAARP O[C@H]1C[NH2+]CCN(Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000097568756 185629003 /nfs/dbraw/zinc/62/90/03/185629003.db2.gz LECIHCOAKSZWCV-AWEZNQCLSA-N 2 0 295.452 1.110 50 0 CDAARP CCc1c(C)[nH+]c(N)nc1NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000091426972 180152296 /nfs/dbraw/zinc/15/22/96/180152296.db2.gz WCULDFLVNNAYGI-GFCCVEGCSA-N 2 0 293.415 1.046 50 0 CDAARP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091545353 180186409 /nfs/dbraw/zinc/18/64/09/180186409.db2.gz CGOYEHCGEWDXTK-STQMWFEESA-N 2 0 261.369 1.814 50 0 CDAARP C[Si]1(C)[NH2+][Si](C)(C)[NH2+][Si](C)(C)[NH2+][Si](C)(C)[NH2+]1 ZINC000195762497 358470671 /nfs/dbraw/zinc/47/06/71/358470671.db2.gz FIADVASZMLCQIF-UHFFFAOYSA-N 4 0 292.684 1.166 50 0 CDAARP [NH3+]CC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC000036304838 356869717 /nfs/dbraw/zinc/86/97/17/356869717.db2.gz IKIDDZLFPJQJDF-UHFFFAOYSA-N 2 0 275.396 1.317 50 0 CDAARP CC[N@@H+]1CCC[C@@H]1CNc1cc(CC[NH3+])nc(C)n1 ZINC000067966788 357640646 /nfs/dbraw/zinc/64/06/46/357640646.db2.gz DKVIHULQEBBUFP-CYBMUJFWSA-N 2 0 263.389 1.182 50 0 CDAARP CCCCNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200491 358188628 /nfs/dbraw/zinc/18/86/28/358188628.db2.gz ZDNFSDBTCQCAQC-CQSZACIVSA-N 2 0 290.411 1.732 50 0 CDAARP Cn1ccnc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093108255 358585247 /nfs/dbraw/zinc/58/52/47/358585247.db2.gz UOAXFXWWCHLZRL-HNNXBMFYSA-N 2 0 274.412 1.894 50 0 CDAARP C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1C[NH3+] ZINC000299739582 200852051 /nfs/dbraw/zinc/85/20/51/200852051.db2.gz QIBIWGANOSNCFI-SNPRPXQTSA-N 2 0 275.396 1.662 50 0 CDAARP CCCn1ccnc1CNC(=O)[C@H](C)n1ccnc1C ZINC000426589688 361070356 /nfs/dbraw/zinc/07/03/56/361070356.db2.gz AKOZMIAQTOYKNG-NSHDSACASA-N 2 0 275.356 1.675 50 0 CDAARP OCCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000110618706 374122587 /nfs/dbraw/zinc/12/25/87/374122587.db2.gz JUEBTNNNOCUEPL-RBSFLKMASA-N 2 0 252.402 1.565 50 0 CDAARP [NH3+]CCc1cccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC000071759554 176261507 /nfs/dbraw/zinc/26/15/07/176261507.db2.gz AVWLCQPMKZFPGX-ZYGGUILKSA-N 2 0 272.392 1.797 50 0 CDAARP C[C@@H](Cn1ccnc1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486102 738950109 /nfs/dbraw/zinc/95/01/09/738950109.db2.gz JHDYFXPWLZWMEL-HNNXBMFYSA-N 2 0 291.443 1.031 50 0 CDAARP CC1(C)C[C@H](C[NH+]2CCC3(CC2)C[NH2+]CCO3)CCO1 ZINC000426504006 902595318 /nfs/dbraw/zinc/59/53/18/902595318.db2.gz NSJLDLWUBJGLEP-CQSZACIVSA-N 2 0 282.428 1.646 50 0 CDAARP Cc1c[nH+]ccc1N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC001506419030 975157166 /nfs/dbraw/zinc/15/71/66/975157166.db2.gz XNUMNFGZGNIDHD-KRWDZBQOSA-N 2 0 286.423 1.606 50 0 CDAARP Cc1nc2ccc(C)cn2c1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000585139739 342218261 /nfs/dbraw/zinc/21/82/61/342218261.db2.gz XEEBHVALJNZOEL-GFCCVEGCSA-N 2 0 272.352 1.889 50 0 CDAARP Cc1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)nc(C)n1 ZINC000583650859 366006736 /nfs/dbraw/zinc/00/67/36/366006736.db2.gz CQXQDKCJKFQZJC-ZDUSSCGKSA-N 2 0 290.411 1.783 50 0 CDAARP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000299738850 283059780 /nfs/dbraw/zinc/05/97/80/283059780.db2.gz HIFOSNHLGVMIIQ-BFHYXJOUSA-N 2 0 267.417 1.304 50 0 CDAARP [NH3+]Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000035719726 356845833 /nfs/dbraw/zinc/84/58/33/356845833.db2.gz FGORNCQKGZUGRJ-UHFFFAOYSA-N 2 0 282.391 1.863 50 0 CDAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000299745198 357702288 /nfs/dbraw/zinc/70/22/88/357702288.db2.gz WMBXMTMCVVIIKV-LSDHHAIUSA-N 2 0 293.455 1.851 50 0 CDAARP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000408523356 283322489 /nfs/dbraw/zinc/32/24/89/283322489.db2.gz RGTXIGOLOJSJPJ-KGLIPLIRSA-N 2 0 267.417 1.319 50 0 CDAARP C[NH+](C)CC[C@@H](NC(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000216012393 358917824 /nfs/dbraw/zinc/91/78/24/358917824.db2.gz UYPQANAVHFIKLB-OAHLLOKOSA-N 2 0 275.396 1.548 50 0 CDAARP C[NH+](C)C[C@@]1(CO)CCCN(Cc2ccoc2)C1 ZINC000216320541 358937448 /nfs/dbraw/zinc/93/74/48/358937448.db2.gz HMQWMHANIDVGEF-AWEZNQCLSA-N 2 0 252.358 1.416 50 0 CDAARP Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H](C[NH3+])C1 ZINC000426615120 360690044 /nfs/dbraw/zinc/69/00/44/360690044.db2.gz JZYHPZQYAASOFG-JTQLQIEISA-N 2 0 288.317 1.975 50 0 CDAARP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000253429434 373736143 /nfs/dbraw/zinc/73/61/43/373736143.db2.gz DCBFMUJMKJSCRA-GASCZTMLSA-N 2 0 262.401 1.766 50 0 CDAARP O=c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)[nH]c2ccc(F)cc12 ZINC000095366504 374892315 /nfs/dbraw/zinc/89/23/15/374892315.db2.gz IAXZHMDIJZURPQ-GFCCVEGCSA-N 2 0 289.354 1.899 50 0 CDAARP O=C(NC[C@H]1CCC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000097229969 375156312 /nfs/dbraw/zinc/15/63/12/375156312.db2.gz DUXYZAIHGIUZEG-HIFRSBDPSA-N 2 0 279.428 1.509 50 0 CDAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000002651822 375287149 /nfs/dbraw/zinc/28/71/49/375287149.db2.gz NALMREUCQWFZEN-CQSZACIVSA-N 2 0 250.386 1.897 50 0 CDAARP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000299739968 390200796 /nfs/dbraw/zinc/20/07/96/390200796.db2.gz UGMYLEPVWSKQPS-LPWJVIDDSA-N 2 0 253.390 1.090 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000263241466 285384460 /nfs/dbraw/zinc/38/44/60/285384460.db2.gz ORPMDLQGPOTXDM-ZBFHGGJFSA-N 2 0 295.471 1.955 50 0 CDAARP CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299739309 279133988 /nfs/dbraw/zinc/13/39/88/279133988.db2.gz NFYBWFJPNXYVLH-MCIONIFRSA-N 2 0 269.433 1.549 50 0 CDAARP Cc1ccccc1N1CCC[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102266457 281346701 /nfs/dbraw/zinc/34/67/01/281346701.db2.gz SRAXSYTWOAFOMR-FVQHAEBGSA-N 2 0 285.435 1.973 50 0 CDAARP C[NH+]1CCN(C2(C[NH2+]C3CCOCC3)CCCC2)CC1 ZINC000534659145 328341894 /nfs/dbraw/zinc/34/18/94/328341894.db2.gz LACJMNDPTCVNNL-UHFFFAOYSA-N 2 0 281.444 1.315 50 0 CDAARP CN1CCC[N@H+](C[C@@H]2CCCOC2)CC12CC[NH2+]CC2 ZINC000534666305 328345234 /nfs/dbraw/zinc/34/52/34/328345234.db2.gz LXFWJZBRVOPZAI-HNNXBMFYSA-N 2 0 281.444 1.173 50 0 CDAARP COc1ccnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1OC ZINC000534670767 328347310 /nfs/dbraw/zinc/34/73/10/328347310.db2.gz FKJUISQNCZSUHA-UHFFFAOYSA-N 2 0 291.395 1.674 50 0 CDAARP O[C@@]1(C[N@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]C1 ZINC000072437939 742627387 /nfs/dbraw/zinc/62/73/87/742627387.db2.gz QHPVLAKIWBTSOF-KRWDZBQOSA-N 2 0 289.423 1.941 50 0 CDAARP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H](O)CC1(O)CCC1 ZINC000952877061 910434119 /nfs/dbraw/zinc/43/41/19/910434119.db2.gz LHJCHPUGDKXFFD-MRXNPFEDSA-N 2 0 292.423 1.503 50 0 CDAARP C[NH+](C)C[C@@H]1COCCN(CC(C)(C)[NH+]2CCCCC2)C1 ZINC000823690206 925722153 /nfs/dbraw/zinc/72/21/53/925722153.db2.gz NRTYAZAUFRVVTN-INIZCTEOSA-N 2 0 297.487 1.761 50 0 CDAARP C[NH+]1CCC2(CCN(Cc3nnnn3C(C)(C)C)C2)CC1 ZINC000585116496 362044887 /nfs/dbraw/zinc/04/48/87/362044887.db2.gz YPNLUBGNNUCDMB-UHFFFAOYSA-N 2 0 292.431 1.346 50 0 CDAARP CCCn1cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)c(C)n1 ZINC000072453864 357837164 /nfs/dbraw/zinc/83/71/64/357837164.db2.gz JYYAUFICKXZDBR-MRXNPFEDSA-N 2 0 294.443 1.490 50 0 CDAARP CCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200492 358188741 /nfs/dbraw/zinc/18/87/41/358188741.db2.gz ZDNFSDBTCQCAQC-AWEZNQCLSA-N 2 0 290.411 1.732 50 0 CDAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCCC1 ZINC000082126677 296014765 /nfs/dbraw/zinc/01/47/65/296014765.db2.gz WAZAWKDZOGTZBO-CYBMUJFWSA-N 2 0 265.401 1.073 50 0 CDAARP c1cc2nonc2c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000426547647 360682953 /nfs/dbraw/zinc/68/29/53/360682953.db2.gz QUOIUOMEEXTGNE-UHFFFAOYSA-N 2 0 272.352 1.798 50 0 CDAARP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000249988749 284781133 /nfs/dbraw/zinc/78/11/33/284781133.db2.gz SZWKQOVVAZILNZ-JHJVBQTASA-N 2 0 253.390 1.057 50 0 CDAARP O=C(O[C@H]1C[NH+]2CCC1CC2)O[C@H]1C[NH+]2CCC1CC2 ZINC000009476996 390194486 /nfs/dbraw/zinc/19/44/86/390194486.db2.gz ZRRREYQVNYFMNB-KBPBESRZSA-N 2 0 280.368 1.328 50 0 CDAARP CCCCOc1ccc(CNC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000004009350 169929131 /nfs/dbraw/zinc/92/91/31/169929131.db2.gz SIJJASYHTCUKNL-UHFFFAOYSA-N 2 0 263.345 1.373 50 0 CDAARP CC[NH+](CC)CCC[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000065492158 279101188 /nfs/dbraw/zinc/10/11/88/279101188.db2.gz QPOXZVUVIWXHRA-CQSZACIVSA-N 2 0 250.390 1.893 50 0 CDAARP OC[C@@]12C[NH2+]C[C@H]1CN(CCOc1ccc(Cl)cc1)C2 ZINC001772700517 1159436756 /nfs/dbraw/zinc/43/67/56/1159436756.db2.gz FXQWFGNVTUXTPC-WFASDCNBSA-N 2 0 296.798 1.233 50 0 CDAARP Cc1cccc(CC[NH+]2CCC(CO)(C[NH+](C)C)CC2)n1 ZINC001772712077 1159445031 /nfs/dbraw/zinc/44/50/31/1159445031.db2.gz HCPFCANGCQXATC-UHFFFAOYSA-N 2 0 291.439 1.569 50 0 CDAARP O=C(C[NH+]1CCCCCC1)NCC[C@@H]1CCCC[NH2+]1 ZINC001506415724 975156271 /nfs/dbraw/zinc/15/62/71/975156271.db2.gz BYMGJVULSFJCSA-AWEZNQCLSA-N 2 0 267.417 1.511 50 0 CDAARP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436181 357472390 /nfs/dbraw/zinc/47/23/90/357472390.db2.gz WYSLSWFNDCYREB-KGLIPLIRSA-N 2 0 267.417 1.319 50 0 CDAARP CN1CCC[N@H+](C)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000215214350 358878667 /nfs/dbraw/zinc/87/86/67/358878667.db2.gz GDDVDBMRDDNUSM-UHFFFAOYSA-N 2 0 277.412 1.882 50 0 CDAARP COCC[N@@H+]1CC[C@@H](CN(C)Cc2cc(C)no2)C1 ZINC000216377847 358941794 /nfs/dbraw/zinc/94/17/94/358941794.db2.gz ZEVGWOZNENZGJA-ZDUSSCGKSA-N 2 0 267.373 1.383 50 0 CDAARP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCSC3)C2)CC1 ZINC000375749176 276201378 /nfs/dbraw/zinc/20/13/78/276201378.db2.gz MTRDMPWNQROHFW-CABCVRRESA-N 2 0 283.485 1.451 50 0 CDAARP Cc1ncn(CCNC(=O)[C@@H]2CCCCC[N@H+]2C)c1C ZINC000670437227 482976468 /nfs/dbraw/zinc/97/64/68/482976468.db2.gz PZMKJRQJKFJJAI-AWEZNQCLSA-N 2 0 278.400 1.491 50 0 CDAARP CCCc1nc(C[NH2+]CC2CC[NH+](CCO)CC2)cs1 ZINC000084759025 483324369 /nfs/dbraw/zinc/32/43/69/483324369.db2.gz CXFCBQRHTHLCOZ-UHFFFAOYSA-N 2 0 297.468 1.890 50 0 CDAARP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757216237 577036295 /nfs/dbraw/zinc/03/62/95/577036295.db2.gz ZISZUACPNHCOLW-CHWFTXMASA-N 2 0 265.323 1.244 50 0 CDAARP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000864097317 753451035 /nfs/dbraw/zinc/45/10/35/753451035.db2.gz SKXRPQMNTQSMQS-ZFWWWQNUSA-N 2 0 278.396 1.404 50 0 CDAARP CCn1nnc(C)c1C[N@@H+]1CC[C@H](CC[NH+](C)C)C1 ZINC000952880298 910441631 /nfs/dbraw/zinc/44/16/31/910441631.db2.gz CIFPFWKNCSBTSY-ZDUSSCGKSA-N 2 0 265.405 1.380 50 0 CDAARP C[C@@H](C[NH+]1CCCCCC1)N1CCC[N@H+](C)CC1 ZINC001506405612 975152051 /nfs/dbraw/zinc/15/20/51/975152051.db2.gz VSYVRPQTYKBJEK-HNNXBMFYSA-N 2 0 253.434 1.888 50 0 CDAARP Cc1cc[n+](CCOCC[n+]2ccc(C)cc2)cc1 ZINC000001789860 230367063 /nfs/dbraw/zinc/36/70/63/230367063.db2.gz ZBFFWAXSJVJGSU-UHFFFAOYSA-N 2 0 258.365 1.595 50 0 CDAARP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000125137115 187171228 /nfs/dbraw/zinc/17/12/28/187171228.db2.gz NWTYNZZNBMUWLZ-OCCSQVGLSA-N 2 0 261.369 1.287 50 0 CDAARP C[NH2+]CCCC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000263280102 290643200 /nfs/dbraw/zinc/64/32/00/290643200.db2.gz RQXOPNJHHWUJCL-RBSFLKMASA-N 2 0 297.443 1.086 50 0 CDAARP CN(C)C1(C[NH2+][C@@H]2CCSC2)CC[NH+](C)CC1 ZINC000584900408 349362299 /nfs/dbraw/zinc/36/22/99/349362299.db2.gz LFETXXIDFXWUBX-GFCCVEGCSA-N 2 0 257.447 1.108 50 0 CDAARP C[NH+]1CCC(O)(C[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000584900414 349362474 /nfs/dbraw/zinc/36/24/74/349362474.db2.gz YHTZMZOMHBMLPC-HNNXBMFYSA-N 2 0 289.423 1.312 50 0 CDAARP C[C@@H]([NH3+])C(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000067688828 357618568 /nfs/dbraw/zinc/61/85/68/357618568.db2.gz YPJRMXOVRBZFLQ-CYBMUJFWSA-N 2 0 298.390 1.681 50 0 CDAARP Cc1nc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc(N)[nH+]1 ZINC000095376416 358689496 /nfs/dbraw/zinc/68/94/96/358689496.db2.gz HWVYOBZWQNTVGU-ZIAGYGMSSA-N 2 0 287.411 1.678 50 0 CDAARP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)c1nccc(N)n1 ZINC000095511008 358696534 /nfs/dbraw/zinc/69/65/34/358696534.db2.gz HAXDTGYPIMFZIP-CQSZACIVSA-N 2 0 283.379 1.552 50 0 CDAARP [NH3+]CCc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094440582 359786877 /nfs/dbraw/zinc/78/68/77/359786877.db2.gz NCSRZYPYRWMPGG-QGZVFWFLSA-N 2 0 273.424 1.858 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000426511559 360678875 /nfs/dbraw/zinc/67/88/75/360678875.db2.gz DSVJDOGBGVKJTC-AWEZNQCLSA-N 2 0 290.411 1.214 50 0 CDAARP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC000072147814 176325574 /nfs/dbraw/zinc/32/55/74/176325574.db2.gz YXJFQVGJVUAOHH-FUHWJXTLSA-N 2 0 297.402 1.809 50 0 CDAARP O[C@]1(C[NH+]2CCCCC2)CCN(Cc2cccnc2)C1 ZINC000077342531 177254422 /nfs/dbraw/zinc/25/44/22/177254422.db2.gz XOJZXUJVCLLTKU-INIZCTEOSA-N 2 0 275.396 1.504 50 0 CDAARP CC(C)(C)OC(=O)N1CC[NH+](CCCCC[NH3+])CC1 ZINC000032119602 277187974 /nfs/dbraw/zinc/18/79/74/277187974.db2.gz ABEYWCYQIMNVPM-UHFFFAOYSA-N 2 0 271.405 1.668 50 0 CDAARP C(C1CC[NH+]([C@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC000674301066 482994500 /nfs/dbraw/zinc/99/45/00/482994500.db2.gz MAYFJTPYARESIM-HNNXBMFYSA-N 2 0 252.402 1.973 50 0 CDAARP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC000670460102 483042566 /nfs/dbraw/zinc/04/25/66/483042566.db2.gz HWWMTSALUBALAW-FUHWJXTLSA-N 2 0 299.418 1.979 50 0 CDAARP c1cc2c(cccc2C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000426596668 756837370 /nfs/dbraw/zinc/83/73/70/756837370.db2.gz WKGWSZZNEGINQD-HNNXBMFYSA-N 2 0 284.407 1.647 50 0 CDAARP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000863984335 758159459 /nfs/dbraw/zinc/15/94/59/758159459.db2.gz TUPFNXOWQJVBLQ-BNGAQMRFSA-N 2 0 280.437 1.885 50 0 CDAARP Cc1cc(N2CC[NH+](CCn3ccnc3)CC2)cc(C)[nH+]1 ZINC001506420366 975158529 /nfs/dbraw/zinc/15/85/29/975158529.db2.gz ACMHKHBZWFXIAK-UHFFFAOYSA-N 2 0 285.395 1.717 50 0 CDAARP CC(=O)N1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000000213111 355896046 /nfs/dbraw/zinc/89/60/46/355896046.db2.gz RBKKENKCBPYHFV-UHFFFAOYSA-N 2 0 255.406 1.175 50 0 CDAARP c1ccc(C[NH+]2CCN(C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000019852664 356510769 /nfs/dbraw/zinc/51/07/69/356510769.db2.gz CSRXBHNXDALEFS-INIZCTEOSA-N 2 0 259.397 1.556 50 0 CDAARP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000241316733 376019052 /nfs/dbraw/zinc/01/90/52/376019052.db2.gz LULCOYMQYGPPGL-XQLPTFJDSA-N 2 0 279.428 1.317 50 0 CDAARP [NH3+]CCc1csc(-c2nc(CC[NH3+])cs2)n1 ZINC000005753722 170137145 /nfs/dbraw/zinc/13/71/45/170137145.db2.gz ZXNPCVWMTDIPMV-UHFFFAOYSA-N 2 0 254.384 1.269 50 0 CDAARP Cc1nc2c(c(N(C)CC[NH+]3CCCCC3)n1)CC[NH2+]C2 ZINC000071681151 176245314 /nfs/dbraw/zinc/24/53/14/176245314.db2.gz GIRRRQXCTSIPPN-UHFFFAOYSA-N 2 0 289.427 1.353 50 0 CDAARP Cn1cc[n+](C[C@H]2CCCC[C@@H]2C[n+]2ccn(C)c2)c1 ZINC000825636157 925875797 /nfs/dbraw/zinc/87/57/97/925875797.db2.gz ISCBWZIRJSLAJH-HZPDHXFCSA-N 2 0 274.412 1.445 50 0 CDAARP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000108080071 186203267 /nfs/dbraw/zinc/20/32/67/186203267.db2.gz FDKWJESCJJZBQU-ZIAGYGMSSA-N 2 0 298.452 1.509 50 0 CDAARP CC[NH+]1CCN(C2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000019889813 356514658 /nfs/dbraw/zinc/51/46/58/356514658.db2.gz UTOKAERHUJGCKM-UHFFFAOYSA-N 2 0 277.412 1.882 50 0 CDAARP CC(C)[NH2+]C[C@@H](O)COc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000000196449 359288480 /nfs/dbraw/zinc/28/84/80/359288480.db2.gz ZSLHLIONVFHYSW-CYBMUJFWSA-N 2 0 291.395 1.407 50 0 biogenic CDAARP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCSC3)C2)CC1 ZINC000375749178 370951970 /nfs/dbraw/zinc/95/19/70/370951970.db2.gz MTRDMPWNQROHFW-HUUCEWRRSA-N 2 0 283.485 1.451 50 0 CDAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756875 372744901 /nfs/dbraw/zinc/74/49/01/372744901.db2.gz IGBIADUEVDGXDI-ZXFNITATSA-N 2 0 299.418 1.709 50 0 CDAARP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000095421274 374923439 /nfs/dbraw/zinc/92/34/39/374923439.db2.gz PZKKLKWOAQEADK-CYBMUJFWSA-N 2 0 293.411 1.814 50 0 CDAARP CN1CCN(c2ncc(Cn3ccnc3)s2)CC1 ZINC000004024736 375847572 /nfs/dbraw/zinc/84/75/72/375847572.db2.gz BXJJKTSZRNFDPL-UHFFFAOYSA-N 2 0 263.370 1.140 50 0 CDAARP C[N@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000089374834 377848049 /nfs/dbraw/zinc/84/80/49/377848049.db2.gz SMSYDJPQRKOYLF-LQDVMPOASA-N 2 0 294.443 1.395 50 0 CDAARP C[NH+](C)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000022045021 171350623 /nfs/dbraw/zinc/35/06/23/171350623.db2.gz ZXGBKHNDHRNYRE-UHFFFAOYSA-N 2 0 275.440 1.845 50 0 CDAARP C[NH+](C)C1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCCCC1 ZINC000070255140 282041422 /nfs/dbraw/zinc/04/14/22/282041422.db2.gz BLCXOPZTKNKGSS-CQSZACIVSA-N 2 0 293.455 1.757 50 0 CDAARP Cc1cc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc(C)[nH+]1 ZINC000072146124 482451445 /nfs/dbraw/zinc/45/14/45/482451445.db2.gz AOAGKSJTTSTKTD-OAHLLOKOSA-N 2 0 274.412 1.430 50 0 CDAARP C[C@@H]1N[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CC[C@H]1[NH3+] ZINC000757211870 574906516 /nfs/dbraw/zinc/90/65/16/574906516.db2.gz KQKXTGCKNQULAL-GEVSDDDWSA-N 2 0 265.323 1.385 50 0 CDAARP CC(C)[N@@H+]1CCC[C@@H](C[NH+](C)CCn2cnnc2)C1 ZINC000823688778 925720384 /nfs/dbraw/zinc/72/03/84/925720384.db2.gz RHKQVJTZWXSQMS-AWEZNQCLSA-N 2 0 265.405 1.330 50 0 CDAARP Cn1ccnc1CC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001506424943 975159480 /nfs/dbraw/zinc/15/94/80/975159480.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 2 0 276.428 1.770 50 0 CDAARP C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000091394230 180145714 /nfs/dbraw/zinc/14/57/14/180145714.db2.gz JFVQQBOBSJMSDM-LSDHHAIUSA-N 2 0 275.396 1.629 50 0 CDAARP C[NH2+]CCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013736644 356355357 /nfs/dbraw/zinc/35/53/57/356355357.db2.gz PTGADKFLEXCNSQ-UHFFFAOYSA-N 2 0 272.352 1.968 50 0 CDAARP COCC[N@H+](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC000097287837 358204899 /nfs/dbraw/zinc/20/48/99/358204899.db2.gz PYAYNINXKJYXIW-UHFFFAOYSA-N 2 0 254.349 1.884 50 0 CDAARP Cc1nn(C)cc1C[N@H+](C)CCCC[NH+]1CCOCC1 ZINC000097347164 358768865 /nfs/dbraw/zinc/76/88/65/358768865.db2.gz WJIUADBSETTYRC-UHFFFAOYSA-N 2 0 280.416 1.273 50 0 CDAARP CCN1CC2(C[C@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257189012 359529586 /nfs/dbraw/zinc/52/95/86/359529586.db2.gz HCDSPCDHEQCHQC-ZDUSSCGKSA-N 2 0 294.399 1.219 50 0 CDAARP COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@H](C)N(C)C1)C2 ZINC000089920313 366969521 /nfs/dbraw/zinc/96/95/21/366969521.db2.gz RMMRYJGOFAFSJB-KWCYVHTRSA-N 2 0 276.380 1.681 50 0 CDAARP C[N@@H+]1CCCN(CCC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000095421922 374923820 /nfs/dbraw/zinc/92/38/20/374923820.db2.gz JZJLYYUGEROQEQ-UHFFFAOYSA-N 2 0 265.445 1.792 50 0 CDAARP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067726494 277395334 /nfs/dbraw/zinc/39/53/34/277395334.db2.gz NNUYZIFHLHGZKP-CQSZACIVSA-N 2 0 281.444 1.742 50 0 CDAARP Cc1nccn1CCC[N@@H+](C)CC1(CO)CCC1 ZINC000670436111 482975360 /nfs/dbraw/zinc/97/53/60/482975360.db2.gz SFCAOJRPCKGLPD-UHFFFAOYSA-N 2 0 251.374 1.676 50 0 CDAARP Cc1ncn(CCNC(=O)[C@H]2CCCCC[N@H+]2C)c1C ZINC000670437228 482976964 /nfs/dbraw/zinc/97/69/64/482976964.db2.gz PZMKJRQJKFJJAI-CQSZACIVSA-N 2 0 278.400 1.491 50 0 CDAARP CO[C@H]1C[N@H+](C)C[C@@H]1Nc1cc(C)[nH+]c2ccc(F)cc12 ZINC000824504891 925829607 /nfs/dbraw/zinc/82/96/07/925829607.db2.gz UNGKWPFULCZAMI-HOTGVXAUSA-N 2 0 289.354 1.845 50 0 CDAARP O=C([C@@H]1CCC[NH2+]CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000827763377 925966934 /nfs/dbraw/zinc/96/69/34/925966934.db2.gz XZBSDEKQDZSETJ-CQSZACIVSA-N 2 0 279.428 1.463 50 0 CDAARP OC1(C[NH+]2CCCC2)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000828605310 926148176 /nfs/dbraw/zinc/14/81/76/926148176.db2.gz BXEIHILZFOPKEX-HNNXBMFYSA-N 2 0 282.428 1.478 50 0 CDAARP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000828713504 926169677 /nfs/dbraw/zinc/16/96/77/926169677.db2.gz GCUABCSLARIBDQ-INIZCTEOSA-N 2 0 292.423 1.831 50 0 CDAARP c1ccc(CCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000097568832 360994269 /nfs/dbraw/zinc/99/42/69/360994269.db2.gz HAPQWJXHZHQEBR-KRWDZBQOSA-N 2 0 273.424 1.599 50 0 CDAARP COC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245540489 376081294 /nfs/dbraw/zinc/08/12/94/376081294.db2.gz MONGLGSQUFTSFX-OWCLPIDISA-N 2 0 284.444 1.580 50 0 CDAARP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388931232 398111309 /nfs/dbraw/zinc/11/13/09/398111309.db2.gz QNBXZNXFHBQBFT-MELADBBJSA-N 2 0 258.406 1.092 50 0 CDAARP CC(=O)c1cc(C[NH2+]CCCn2ccnc2C)n(C)c1 ZINC000952986089 614248917 /nfs/dbraw/zinc/24/89/17/614248917.db2.gz YIHYFFSEOMTFRE-UHFFFAOYSA-N 2 0 274.368 1.913 50 0 CDAARP CC[N@@H+]1CCC[C@](C)(C[NH+]2CCC[C@@H](CO)C2)C1 ZINC000020539776 896897812 /nfs/dbraw/zinc/89/78/12/896897812.db2.gz XJCQVGGYQAVAFX-CABCVRRESA-N 2 0 254.418 1.813 50 0 CDAARP C[NH+](C)CC1(O)CC[NH+](C2CSCCSC2)CC1 ZINC000823684733 925720507 /nfs/dbraw/zinc/72/05/07/925720507.db2.gz ZWYWCMFKMZHPEA-UHFFFAOYSA-N 2 0 290.498 1.224 50 0 CDAARP CCCC(=O)N1CCC([N@@H+]2C[C@H]([NH3+])[C@@H](C(C)C)C2)CC1 ZINC000219581238 930884994 /nfs/dbraw/zinc/88/49/94/930884994.db2.gz MLFOAZLBWHPBCE-CABCVRRESA-N 2 0 281.444 1.693 50 0 CDAARP Cc1ccc(C(=O)NCCC[NH2+]CCC[NH+](C)C)cn1 ZINC000002411011 355968943 /nfs/dbraw/zinc/96/89/43/355968943.db2.gz PVOVKPITJMLGOH-UHFFFAOYSA-N 2 0 278.400 1.051 50 0 CDAARP CCc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(N(C)C)n1 ZINC000065423344 357540351 /nfs/dbraw/zinc/54/03/51/357540351.db2.gz QCSJFNOYXQECHL-CQSZACIVSA-N 2 0 289.427 1.780 50 0 CDAARP C[C@@H](CO)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000065417349 357540507 /nfs/dbraw/zinc/54/05/07/357540507.db2.gz DFDDWUDVUNDSST-HNNXBMFYSA-N 2 0 276.424 1.912 50 0 CDAARP C[NH+](C)Cc1cccc(CNc2ncnc3c2CC[NH2+]C3)c1 ZINC000067788180 357627614 /nfs/dbraw/zinc/62/76/14/357627614.db2.gz GJOWQKDKEOLSFK-UHFFFAOYSA-N 2 0 297.406 1.796 50 0 CDAARP Cc1ccc2c(N3CC[C@@H]([NH3+])[C@H](O)C3)cc[nH+]c2c1C ZINC000082115142 358147897 /nfs/dbraw/zinc/14/78/97/358147897.db2.gz YURLJIHKGQJASG-UKRRQHHQSA-N 2 0 271.364 1.750 50 0 CDAARP C[NH2+]CCCNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095370519 358687621 /nfs/dbraw/zinc/68/76/21/358687621.db2.gz UNCOASOWZJPZKB-OAHLLOKOSA-N 2 0 275.396 1.493 50 0 CDAARP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000408523495 359931050 /nfs/dbraw/zinc/93/10/50/359931050.db2.gz SCYCXSKVFVRCGD-CHWSQXEVSA-N 2 0 276.384 1.076 50 0 CDAARP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)cc12 ZINC000107912601 412805021 /nfs/dbraw/zinc/80/50/21/412805021.db2.gz SWQUUQNAYFISHV-CYBMUJFWSA-N 2 0 287.411 1.708 50 0 CDAARP CC(C)[NH+]1CCC(N(C)C(=O)C2([NH3+])CCCC2)CC1 ZINC000037804653 373352975 /nfs/dbraw/zinc/35/29/75/373352975.db2.gz WBIJWDFCWZTZKA-UHFFFAOYSA-N 2 0 267.417 1.589 50 0 CDAARP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2([NH3+])CCC2)[C@H](C)C1 ZINC000299740090 375199204 /nfs/dbraw/zinc/19/92/04/375199204.db2.gz VOWIYFGWYKGMOK-CHWSQXEVSA-N 2 0 267.417 1.447 50 0 CDAARP CCC[NH+]1CCC([NH2+]CCCn2nc(C)nc2C)CC1 ZINC000065461461 175740146 /nfs/dbraw/zinc/74/01/46/175740146.db2.gz HEIGJYMCPWMTAE-UHFFFAOYSA-N 2 0 279.432 1.749 50 0 CDAARP O=C(NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000534662739 328350657 /nfs/dbraw/zinc/35/06/57/328350657.db2.gz OWIZEKYZJDMOMQ-AWEZNQCLSA-N 2 0 293.455 1.757 50 0 CDAARP CC[C@H](C(=O)NC(C)(C)C)N1CCOC2(CC[NH2+]CC2)C1 ZINC001506421009 975158157 /nfs/dbraw/zinc/15/81/57/975158157.db2.gz DAUABWLEGWHDAC-CYBMUJFWSA-N 2 0 297.443 1.134 50 0 CDAARP CC1(C)CC(CC(=O)N2CC[C@@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC001506425499 975159248 /nfs/dbraw/zinc/15/92/48/975159248.db2.gz BDHNRMJALCZNMF-LBPRGKRZSA-N 2 0 281.444 1.741 50 0 CDAARP Nc1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)ccn1 ZINC000191503850 362446937 /nfs/dbraw/zinc/44/69/37/362446937.db2.gz FRFFJKRRBRAYIO-CQSZACIVSA-N 2 0 283.379 1.993 50 0 CDAARP CSCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299739106 356266984 /nfs/dbraw/zinc/26/69/84/356266984.db2.gz KNADUFWHLQENDX-WOPDTQHZSA-N 2 0 273.446 1.008 50 0 CDAARP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738949 357700832 /nfs/dbraw/zinc/70/08/32/357700832.db2.gz ISYQZVAYSSWJKE-STQMWFEESA-N 2 0 253.390 1.058 50 0 CDAARP CC[N@H+](C)C[C@@H](C)CNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000072422085 357834126 /nfs/dbraw/zinc/83/41/26/357834126.db2.gz OVZFJUQURSYGJQ-LBPRGKRZSA-N 2 0 291.443 1.473 50 0 CDAARP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)c1nccc(N)n1 ZINC000095511009 358695858 /nfs/dbraw/zinc/69/58/58/358695858.db2.gz HAXDTGYPIMFZIP-AWEZNQCLSA-N 2 0 283.379 1.552 50 0 CDAARP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC000097732736 358795600 /nfs/dbraw/zinc/79/56/00/358795600.db2.gz ZMRCWMWGRPVXBI-INIZCTEOSA-N 3 0 291.439 1.940 50 0 CDAARP CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1 ZINC000216093041 358924371 /nfs/dbraw/zinc/92/43/71/358924371.db2.gz ULFWETDPJJXEFX-OKILXGFUSA-N 2 0 260.385 1.141 50 0 CDAARP C[C@@H]1CSCCN1C[C@@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000248740902 364434502 /nfs/dbraw/zinc/43/45/02/364434502.db2.gz PQVQJNQBUUIYON-CLLJXQQHSA-N 2 0 290.498 1.222 50 0 CDAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC000096432438 390519785 /nfs/dbraw/zinc/51/97/85/390519785.db2.gz CGNDGKDKDDMTFE-ZDUSSCGKSA-N 2 0 255.406 1.127 50 0 CDAARP CCc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)on1 ZINC000072133620 176321828 /nfs/dbraw/zinc/32/18/28/176321828.db2.gz UJSAQHNZLFRTHH-OAHLLOKOSA-N 2 0 281.400 1.516 50 0 CDAARP Cc1ncsc1CCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC000077519370 177277821 /nfs/dbraw/zinc/27/78/21/177277821.db2.gz XPNBXNLWIJSTRW-CYBMUJFWSA-N 2 0 269.414 1.088 50 0 CDAARP C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000823770090 925728486 /nfs/dbraw/zinc/72/84/86/925728486.db2.gz MBVVPHCBWGOAHE-AWEZNQCLSA-N 2 0 252.402 1.973 50 0 CDAARP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CCN1Cc1ccccc1 ZINC000585116789 930968645 /nfs/dbraw/zinc/96/86/45/930968645.db2.gz IMUABNCEBOZPJN-PVAVHDDUSA-N 2 0 292.423 1.325 50 0 CDAARP Cc1c[nH+]ccc1N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001506419032 975156696 /nfs/dbraw/zinc/15/66/96/975156696.db2.gz XNUMNFGZGNIDHD-QGZVFWFLSA-N 2 0 286.423 1.606 50 0 CDAARP CC[N@@H+]1CCC[C@@H]1CN1CCC([NH+]2CCSCC2)CC1 ZINC001506419772 975157326 /nfs/dbraw/zinc/15/73/26/975157326.db2.gz JLGGUIDJMSKRSX-MRXNPFEDSA-N 2 0 297.512 1.984 50 0 CDAARP [NH3+]C[C@H]1CCN(Cc2cccn2-c2ncccn2)C1 ZINC000065410115 363119510 /nfs/dbraw/zinc/11/95/10/363119510.db2.gz YENQUYCKODTOPU-GFCCVEGCSA-N 2 0 257.341 1.048 50 0 CDAARP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH3+])o2)[C@H](C)C1 ZINC000643613035 356920875 /nfs/dbraw/zinc/92/08/75/356920875.db2.gz ZBDFHYKUTWZEFQ-DGCLKSJQSA-N 2 0 279.384 1.541 50 0 CDAARP C[C@H]1CC(C)(C)[NH2+]CCN[C@@H](C)CC(C)(C)[NH2+]CCN1 ZINC000019939481 357238594 /nfs/dbraw/zinc/23/85/94/357238594.db2.gz XHCNINMOALIGKM-KBPBESRZSA-N 2 0 284.492 1.473 50 0 CDAARP O[C@]12CC[NH2+]C[C@H]1CN(c1cc[nH+]c3ccccc31)CC2 ZINC000095391695 358692009 /nfs/dbraw/zinc/69/20/09/358692009.db2.gz DMMVAMQHWWBRAW-GUYCJALGSA-N 2 0 283.375 1.786 50 0 CDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H]1CCC[NH+]1C ZINC000248125753 360384835 /nfs/dbraw/zinc/38/48/35/360384835.db2.gz LSBHLELVMUMETR-HRCADAONSA-N 2 0 293.455 1.946 50 0 CDAARP Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)n1 ZINC000072168518 176332388 /nfs/dbraw/zinc/33/23/88/176332388.db2.gz QJDJSENTGOJDKT-INIZCTEOSA-N 2 0 277.412 1.669 50 0 CDAARP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262676486 279174599 /nfs/dbraw/zinc/17/45/99/279174599.db2.gz SKTDUHDYOZTILC-UPJWGTAASA-N 2 0 255.406 1.301 50 0 CDAARP CC(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974251 280238152 /nfs/dbraw/zinc/23/81/52/280238152.db2.gz IWMRMUHLKWTPGN-ZACQAIPSSA-N 2 0 295.471 1.560 50 0 CDAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000251942144 297095148 /nfs/dbraw/zinc/09/51/48/297095148.db2.gz ZRAXDDXGRDMKBG-XJFOESAGSA-N 2 0 265.401 1.199 50 0 CDAARP C[NH+](C)C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)c1ccc(Cl)o1)C2 ZINC001772711323 1159445906 /nfs/dbraw/zinc/44/59/06/1159445906.db2.gz HKBOMEUKTKMEMC-QMTHXVAHSA-N 2 0 297.786 1.156 50 0 CDAARP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178540709 362245938 /nfs/dbraw/zinc/24/59/38/362245938.db2.gz VIMIYRCFXNXEFN-CYBMUJFWSA-N 2 0 261.369 1.169 50 0 CDAARP c1cncc(C[NH+]2CCC(O[C@H]3CC[NH2+]C3)CC2)c1 ZINC000252550528 362393210 /nfs/dbraw/zinc/39/32/10/362393210.db2.gz SPIYZFXUSDADLK-HNNXBMFYSA-N 2 0 261.369 1.425 50 0 CDAARP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CN(C)CCO1 ZINC000095429628 351397765 /nfs/dbraw/zinc/39/77/65/351397765.db2.gz VIWHFHNPZPIKEC-AICCOOGYSA-N 2 0 297.443 1.083 50 0 CDAARP C[NH+](C)Cc1csc(C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000216513476 358948269 /nfs/dbraw/zinc/94/82/69/358948269.db2.gz NIORBSCNFUKQSK-CYBMUJFWSA-N 2 0 284.425 1.657 50 0 CDAARP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000408523384 359931064 /nfs/dbraw/zinc/93/10/64/359931064.db2.gz RGTXIGOLOJSJPJ-ZIAGYGMSSA-N 2 0 267.417 1.319 50 0 CDAARP c1ccc(CCN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978263 189158990 /nfs/dbraw/zinc/15/89/90/189158990.db2.gz SFKGJAGBPWXIAN-UHFFFAOYSA-N 2 0 287.451 1.846 50 0 CDAARP C(=C/CSC1=[NH+]CCN1)\CCSC1=[NH+]CCN1 ZINC000039425464 377526258 /nfs/dbraw/zinc/52/62/58/377526258.db2.gz WKHGURILRYFBRR-OWOJBTEDSA-N 2 0 270.427 1.318 50 0 CDAARP O[C@@]1(C[NH2+]C2CCN(c3ccccc3F)CC2)CC[NH2+]C1 ZINC000072423412 390642175 /nfs/dbraw/zinc/64/21/75/390642175.db2.gz GAHCFKULHYCJHG-INIZCTEOSA-N 2 0 293.386 1.109 50 0 CDAARP C[NH+](C)CCCN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000031375161 171636938 /nfs/dbraw/zinc/63/69/38/171636938.db2.gz DTKANQSCBACEPK-UHFFFAOYSA-N 3 0 272.481 1.144 50 0 CDAARP COc1ccc(N2C(=[NH2+])NC(=[NH2+])NC23CCCC3)cc1 ZINC000000203702 295156041 /nfs/dbraw/zinc/15/60/41/295156041.db2.gz IJGFJERBVMWCDY-UHFFFAOYSA-N 2 0 273.340 1.415 50 0 biogenic CDAARP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000037824218 295278035 /nfs/dbraw/zinc/27/80/35/295278035.db2.gz UZTUDBRZYQZFPH-INIZCTEOSA-N 2 0 287.407 1.846 50 0 CDAARP c1cc2ccc(C[NH+]3CCC4(CC3)C[NH2+]CCO4)nc2[nH]1 ZINC000534654413 328338776 /nfs/dbraw/zinc/33/87/76/328338776.db2.gz MTIVISNQXPKKFK-UHFFFAOYSA-N 2 0 286.379 1.517 50 0 CDAARP O[C@@H](C[NH2+]CCc1ccccc1)C[NH+]1CCCCC1 ZINC000312083905 1159587624 /nfs/dbraw/zinc/58/76/24/1159587624.db2.gz VKFRUJGLKJYKNF-INIZCTEOSA-N 2 0 262.397 1.666 50 0 CDAARP Cc1nccn1C[C@@H](C)[NH2+]CCSc1nc[nH]n1 ZINC000952963530 816814078 /nfs/dbraw/zinc/81/40/78/816814078.db2.gz IXOYSEARZCJRRV-SECBINFHSA-N 2 0 266.374 1.080 50 0 CDAARP CC1(C)CC(NCC[N@@H+]2CCC[C@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711114 926169017 /nfs/dbraw/zinc/16/90/17/926169017.db2.gz FLZKQWINHCIPKN-AWEZNQCLSA-N 2 0 297.487 1.590 50 0 CDAARP CSCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252495537 342382530 /nfs/dbraw/zinc/38/25/30/342382530.db2.gz OSVOKESMUGCZDC-TZMCWYRMSA-N 2 0 299.484 1.542 50 0 CDAARP C[C@H](c1cnn(C)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000097051516 357934853 /nfs/dbraw/zinc/93/48/53/357934853.db2.gz XACSSFXCYYVWGR-CQSZACIVSA-N 2 0 279.432 1.050 50 0 CDAARP COCC[N@H+](C)CCC[NH2+]Cc1cccc(F)c1 ZINC000097287846 358066737 /nfs/dbraw/zinc/06/67/37/358066737.db2.gz FFVNHJFKUVVBPF-UHFFFAOYSA-N 2 0 254.349 1.884 50 0 CDAARP [NH3+]C1CC(c2cc(NCCn3ccnc3)nc(C3CC3)n2)C1 ZINC000223474105 359429320 /nfs/dbraw/zinc/42/93/20/359429320.db2.gz NOZMCYMBTPZOMO-UHFFFAOYSA-N 2 0 298.394 1.867 50 0 CDAARP c1ccc2c(c1)CCC([NH2+]CCN1CC[NH2+]CC1)CC2 ZINC000423202991 365227531 /nfs/dbraw/zinc/22/75/31/365227531.db2.gz LVFVACOPUAWPSP-UHFFFAOYSA-N 2 0 273.424 1.429 50 0 CDAARP CCOC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000239352755 276277446 /nfs/dbraw/zinc/27/74/46/276277446.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 2 0 280.412 1.888 50 0 CDAARP CC[NH+](CC)CCC[NH2+]C1CCN(C(C)=O)CC1 ZINC000032917413 279099874 /nfs/dbraw/zinc/09/98/74/279099874.db2.gz GKMUVZXDDZGWQW-UHFFFAOYSA-N 2 0 255.406 1.319 50 0 CDAARP CC1[N+](=O)C2(CC(C)(C)[NH2+]C(C)(C)C2)NC1(C)C ZINC000019326388 281705198 /nfs/dbraw/zinc/70/51/98/281705198.db2.gz FFGUSWHGADBDIF-UHFFFAOYSA-N 2 0 253.390 1.976 50 0 CDAARP Cc1cc(C)nc(CN(C)C[C@]2(O)CCC[NH2+]C2)c1 ZINC000072417917 567901805 /nfs/dbraw/zinc/90/18/05/567901805.db2.gz MSUAXJGOKJINEC-HNNXBMFYSA-N 2 0 263.385 1.245 50 0 CDAARP C[N@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)[C@H](c1ccccn1)C1CC1 ZINC000952969315 616148433 /nfs/dbraw/zinc/14/84/33/616148433.db2.gz CAZDVASKUUCHCD-NHIYQJMISA-N 2 0 257.381 1.930 50 0 CDAARP CC[NH+](CC)CCCNc1nnc(C(C)(C)[NH3+])o1 ZINC001772703540 1159439298 /nfs/dbraw/zinc/43/92/98/1159439298.db2.gz XWDSXPVGXQKIMQ-UHFFFAOYSA-N 2 0 255.366 1.407 50 0 CDAARP CCOC(=O)N1CCC([N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000067690613 819850702 /nfs/dbraw/zinc/85/07/02/819850702.db2.gz WXLMFWBTWMIANM-UHFFFAOYSA-N 2 0 295.427 1.683 50 0 CDAARP Cc1n[nH]c(C[NH2+]CCNc2cc[nH+]cc2C)c1Cl ZINC000952983084 821850206 /nfs/dbraw/zinc/85/02/06/821850206.db2.gz OEBCSYJVHURUPL-UHFFFAOYSA-N 2 0 279.775 1.699 50 0 CDAARP C[N@@H+]1CCCC2(CC[NH+](Cc3cnc(N)nc3)CC2)CC1 ZINC000584904064 341994113 /nfs/dbraw/zinc/99/41/13/341994113.db2.gz OTZAIISLIFNJBD-UHFFFAOYSA-N 2 0 289.427 1.587 50 0 CDAARP CC1(C)CC(NC(=O)C[NH+]2CCCCC2)CC(C)(C)[NH2+]1 ZINC000004247290 356023636 /nfs/dbraw/zinc/02/36/36/356023636.db2.gz GEUZMCYPMQVULQ-UHFFFAOYSA-N 2 0 281.444 1.898 50 0 CDAARP CSCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554589 363462304 /nfs/dbraw/zinc/46/23/04/363462304.db2.gz OSVOKESMUGCZDC-GXTWGEPZSA-N 2 0 299.484 1.542 50 0 CDAARP c1nc(SCC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n[nH]1 ZINC000063881988 357519181 /nfs/dbraw/zinc/51/91/81/357519181.db2.gz XTFAMOFCJZSXIC-QWHCGFSZSA-N 2 0 295.456 1.751 50 0 CDAARP O=C(C[NH+]1CCCCCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067894659 357636375 /nfs/dbraw/zinc/63/63/75/357636375.db2.gz LGSWAPPNSVWDDB-KRWDZBQOSA-N 2 0 293.455 1.855 50 0 CDAARP Cc1ccc(OCC[NH2+]C[C@@]2(O)CCC[NH2+]C2)cc1C ZINC000072419085 357833546 /nfs/dbraw/zinc/83/35/46/357833546.db2.gz DTTXRRYGPDNSJS-MRXNPFEDSA-N 2 0 278.396 1.386 50 0 CDAARP CN(C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)C1CC1 ZINC000097200739 358188509 /nfs/dbraw/zinc/18/85/09/358188509.db2.gz TVXLYYBEJFGTDP-CYBMUJFWSA-N 2 0 288.395 1.436 50 0 CDAARP C[NH+]1CCC2(C[NH2+]C[C@@H]2c2nnc(C3CC3)[nH]2)CC1 ZINC000085347593 390863022 /nfs/dbraw/zinc/86/30/22/390863022.db2.gz KQRYKVOCISOWJN-LLVKDONJSA-N 2 0 261.373 1.081 50 0 CDAARP CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000251265471 392558197 /nfs/dbraw/zinc/55/81/97/392558197.db2.gz OFXRXVXZBXEYJF-VNHYZAJKSA-N 2 0 265.401 1.262 50 0 CDAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000261796517 140389871 /nfs/dbraw/zinc/38/98/71/140389871.db2.gz VFKWETAESSJQRE-WBVHZDCISA-N 2 0 287.407 1.016 50 0 CDAARP c1ccc(C[NH+]2CCN([C@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000022455768 171388231 /nfs/dbraw/zinc/38/82/31/171388231.db2.gz JYORXOOKHTUITD-SFHVURJKSA-N 2 0 285.435 1.898 50 0 CDAARP C[N@@H+]1CC[C@H]2C[NH+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179342 /nfs/dbraw/zinc/17/93/42/277179342.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 2 0 299.418 1.675 50 0 CDAARP [NH3+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000178576306 303409699 /nfs/dbraw/zinc/40/96/99/303409699.db2.gz SWEYIZQHKBFPHY-HNNXBMFYSA-N 2 0 287.407 1.703 50 0 CDAARP CC[NH2+]C[C@@H](O)COCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000023549976 482844801 /nfs/dbraw/zinc/84/48/01/482844801.db2.gz HPIOXBOTTXBOLI-ZIAGYGMSSA-N 2 0 258.406 1.095 50 0 CDAARP C[N@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)[C@@H](c1ccccn1)C1CC1 ZINC000952969331 616148415 /nfs/dbraw/zinc/14/84/15/616148415.db2.gz CAZDVASKUUCHCD-ORIJERBGSA-N 2 0 257.381 1.930 50 0 CDAARP [NH3+][C@@H](C1CCCCCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528623 825568734 /nfs/dbraw/zinc/56/87/34/825568734.db2.gz XFMHLFPYNMCAMP-MBOZISHXSA-N 2 0 252.402 1.930 50 0 CDAARP Cc1cc(NCCCOC2CC[NH+](C)CC2)cc[nH+]1 ZINC000823764843 925727581 /nfs/dbraw/zinc/72/75/81/925727581.db2.gz KVSFCEWBYZDVRH-UHFFFAOYSA-N 2 0 263.385 1.725 50 0 CDAARP C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)CC1CC[NH2+]CC1)C2 ZINC000823806812 925730504 /nfs/dbraw/zinc/73/05/04/925730504.db2.gz RNMSKLLIAWEGFU-GJZGRUSLSA-N 2 0 279.428 1.319 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000585088417 362015694 /nfs/dbraw/zinc/01/56/94/362015694.db2.gz CPPHQXLEJGKPIF-NEPJUHHUSA-N 2 0 255.406 1.303 50 0 CDAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000584894934 349355141 /nfs/dbraw/zinc/35/51/41/349355141.db2.gz BSCUKTYGNPOYNP-HNNXBMFYSA-N 2 0 297.443 1.040 50 0 CDAARP CCOc1ccc(CC[NH2+]C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072474899 357837913 /nfs/dbraw/zinc/83/79/13/357837913.db2.gz UIXKSFWGERSJRP-MRXNPFEDSA-N 2 0 278.396 1.332 50 0 CDAARP C[NH+]1CCN(CCC[N@@H+]2CCc3cccc(F)c3C2)CC1 ZINC000097235651 358050512 /nfs/dbraw/zinc/05/05/12/358050512.db2.gz BSKMDWRRJWPMER-UHFFFAOYSA-N 2 0 291.414 1.821 50 0 CDAARP Cc1c[nH+]ccc1NCCNc1cc(C2CC([NH3+])C2)ncn1 ZINC000219086138 359077739 /nfs/dbraw/zinc/07/77/39/359077739.db2.gz YGKKXNBADHSNHC-UHFFFAOYSA-N 2 0 298.394 1.909 50 0 CDAARP c1cc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)cc2c1OCC2 ZINC000426677973 360695539 /nfs/dbraw/zinc/69/55/39/360695539.db2.gz IISMCFGYXCIDJJ-UHFFFAOYSA-N 2 0 288.391 1.576 50 0 CDAARP CN(Cc1ncc[nH]1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426504677 360935978 /nfs/dbraw/zinc/93/59/78/360935978.db2.gz YEGGCJJVZDLXMN-NSHDSACASA-N 2 0 265.361 1.035 50 0 CDAARP CC[N@H+](CCn1cccn1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244866696 361055251 /nfs/dbraw/zinc/05/52/51/361055251.db2.gz WAWJUZCAOHSFLQ-OKILXGFUSA-N 2 0 250.390 1.723 50 0 CDAARP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763895 373788695 /nfs/dbraw/zinc/78/86/95/373788695.db2.gz YQIDEMBTRCSHNZ-OAHLLOKOSA-N 2 0 290.411 1.826 50 0 CDAARP OCCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000096421818 390514448 /nfs/dbraw/zinc/51/44/48/390514448.db2.gz JUEBTNNNOCUEPL-ILXRZTDVSA-N 2 0 252.402 1.565 50 0 CDAARP C[C@@H]1N[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)CC[C@@H]1[NH3+] ZINC000757211877 574906525 /nfs/dbraw/zinc/90/65/25/574906525.db2.gz KQKXTGCKNQULAL-HPENLJRUSA-N 2 0 265.323 1.385 50 0 CDAARP C(C[NH+]1CCCC1)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820430486 925523763 /nfs/dbraw/zinc/52/37/63/925523763.db2.gz KLLLQKNFMJOKGC-OAHLLOKOSA-N 2 0 252.402 1.973 50 0 CDAARP CC[C@@H](C(=O)NC(C)(C)C)N1CCOC2(CC[NH2+]CC2)C1 ZINC001506421011 975158246 /nfs/dbraw/zinc/15/82/46/975158246.db2.gz DAUABWLEGWHDAC-ZDUSSCGKSA-N 2 0 297.443 1.134 50 0 CDAARP COc1ccccc1N1CC[NH+](CCCC[NH3+])CC1 ZINC000011805330 356279879 /nfs/dbraw/zinc/27/98/79/356279879.db2.gz UFJPFLDFMPVGRW-UHFFFAOYSA-N 2 0 263.385 1.556 50 0 CDAARP CC[NH+]1CCN([C@H](C[NH3+])c2ccccc2OC)CC1 ZINC000019201122 356476393 /nfs/dbraw/zinc/47/63/93/356476393.db2.gz YZULNEQSMUXOAX-CQSZACIVSA-N 2 0 263.385 1.333 50 0 CDAARP c1cn(CCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)cn1 ZINC000082137762 358148636 /nfs/dbraw/zinc/14/86/36/358148636.db2.gz GTAZQRIVXMZHSW-CQSZACIVSA-N 2 0 279.384 1.591 50 0 CDAARP COCCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000089410264 359264988 /nfs/dbraw/zinc/26/49/88/359264988.db2.gz ZZJVYSXWCFNQAA-UHFFFAOYSA-N 2 0 256.390 1.256 50 0 CDAARP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000296219856 374703563 /nfs/dbraw/zinc/70/35/63/374703563.db2.gz PSGHZDRHNBYWDR-NWANDNLSSA-N 2 0 275.396 1.142 50 0 CDAARP CC(C)[C@H]([NH3+])C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000019687710 374773945 /nfs/dbraw/zinc/77/39/45/374773945.db2.gz IOAAZCFZSQHUFQ-HNNXBMFYSA-N 2 0 293.386 1.453 50 0 CDAARP CC[N@@H+]1CCC[C@H](CN2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000020586453 374978682 /nfs/dbraw/zinc/97/86/82/374978682.db2.gz XXLRJADSHBDTDM-JKSUJKDBSA-N 2 0 265.445 1.888 50 0 CDAARP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000126867946 375028498 /nfs/dbraw/zinc/02/84/98/375028498.db2.gz MONGLGSQUFTSFX-BZUAXINKSA-N 2 0 284.444 1.580 50 0 CDAARP COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000255189634 189996468 /nfs/dbraw/zinc/99/64/68/189996468.db2.gz RFDJANVOBOZAHE-HDJSIYSDSA-N 2 0 262.353 1.833 50 0 CDAARP O=C(O[C@H]1C[NH+]2CCC1CC2)O[C@@H]1C[NH+]2CCC1CC2 ZINC000009476993 390194349 /nfs/dbraw/zinc/19/43/49/390194349.db2.gz ZRRREYQVNYFMNB-OKILXGFUSA-N 2 0 280.368 1.328 50 0 CDAARP Cn1cc(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000089755627 135060593 /nfs/dbraw/zinc/06/05/93/135060593.db2.gz SZKMYIRRZAXAJL-UHFFFAOYSA-N 2 0 285.395 1.570 50 0 CDAARP O[C@@]1(C[NH2+]CCCSc2ccccc2)CC[NH2+]C1 ZINC000077337274 177254080 /nfs/dbraw/zinc/25/40/80/177254080.db2.gz ICVZWAAOZUTXRI-CQSZACIVSA-N 2 0 266.410 1.483 50 0 CDAARP CN1CCC[N@H+](CC[C@H]2CC2(F)F)CC12CC[NH2+]CC2 ZINC000534667438 328345949 /nfs/dbraw/zinc/34/59/49/328345949.db2.gz PDGFFNHGEQDFIX-ZDUSSCGKSA-N 2 0 287.398 1.791 50 0 CDAARP CC(C)(C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772708384 1159441584 /nfs/dbraw/zinc/44/15/84/1159441584.db2.gz CQFNNVSCMVCHPV-NVXWUHKLSA-N 2 0 296.455 1.439 50 0 CDAARP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757216159 574908372 /nfs/dbraw/zinc/90/83/72/574908372.db2.gz YCCRSESSTVICKV-ZDCRXTMVSA-N 2 0 265.323 1.244 50 0 CDAARP OC[C@]12C[NH2+]C[C@H]1C[N@H+](CCC1CCCCCC1)C2 ZINC001772707457 1159441630 /nfs/dbraw/zinc/44/16/30/1159441630.db2.gz SXFYLWIQYRJDBJ-JKSUJKDBSA-N 2 0 266.429 1.861 50 0 CDAARP CCCCCc1nc(CC[NH3+])n(-c2cc[nH+]cc2)n1 ZINC000827421783 925940720 /nfs/dbraw/zinc/94/07/20/925940720.db2.gz CXIJUAOVSHSEIC-UHFFFAOYSA-N 2 0 259.357 1.896 50 0 CDAARP CC[NH+]1CCC(N(C)c2ncnc3c2cnn3C)CC1 ZINC000025493907 356676363 /nfs/dbraw/zinc/67/63/63/356676363.db2.gz FPACFYFADVJICG-UHFFFAOYSA-N 2 0 274.372 1.284 50 0 CDAARP C[NH+](C)Cc1ccccc1CNc1ncnc2c1CC[NH2+]C2 ZINC000067880291 357635155 /nfs/dbraw/zinc/63/51/55/357635155.db2.gz BDCBIRFPOIBLNX-UHFFFAOYSA-N 2 0 297.406 1.796 50 0 CDAARP Cc1cnn(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000215664468 358898730 /nfs/dbraw/zinc/89/87/30/358898730.db2.gz XICBGKDPVUEYGC-UHFFFAOYSA-N 2 0 280.416 1.271 50 0 CDAARP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000252489751 367583764 /nfs/dbraw/zinc/58/37/64/367583764.db2.gz JZEXERQXNBQUGI-INIZCTEOSA-N 2 0 293.455 1.946 50 0 CDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299757367 372745768 /nfs/dbraw/zinc/74/57/68/372745768.db2.gz IGBIADUEVDGXDI-BSXFFOKHSA-N 2 0 299.418 1.709 50 0 CDAARP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000296219852 374703779 /nfs/dbraw/zinc/70/37/79/374703779.db2.gz PSGHZDRHNBYWDR-AEGPPILISA-N 2 0 275.396 1.142 50 0 CDAARP CN1CCC[N@H+](CCCn2cccn2)CC12CC[NH2+]CC2 ZINC000097495132 390917536 /nfs/dbraw/zinc/91/75/36/390917536.db2.gz ASQGTYOOLPOKMU-UHFFFAOYSA-N 2 0 291.443 1.033 50 0 CDAARP COC[C@H](C)[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012053101 170468064 /nfs/dbraw/zinc/46/80/64/170468064.db2.gz QSMLXBKGGVTXMS-AWEZNQCLSA-N 2 0 299.459 1.191 50 0 CDAARP CN(C)[C@@H]1C[C@@H](CO)[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000065465760 289336085 /nfs/dbraw/zinc/33/60/85/289336085.db2.gz FWHIYUXTIVWYGF-CVEARBPZSA-N 2 0 295.471 1.296 50 0 CDAARP CC1(C)CC(N[C@H]2COC[C@@H]2[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC000822293573 1161927627 /nfs/dbraw/zinc/92/76/27/1161927627.db2.gz PMGGVTKRQSUFFP-GJZGRUSLSA-N 2 0 295.471 1.748 50 0 CDAARP C[C@@H]([NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12)c1ccccc1-n1cccn1 ZINC000952973704 845762352 /nfs/dbraw/zinc/76/23/52/845762352.db2.gz XVRFHVJKPYNDQW-OJLVUWQFSA-N 2 0 282.391 1.988 50 0 CDAARP Cn1c(C[NH3+])nnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426550707 847232837 /nfs/dbraw/zinc/23/28/37/847232837.db2.gz YLYDSNAKVQAPIX-NWDGAFQWSA-N 2 0 295.456 1.630 50 0 CDAARP C[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)C[NH+]2CCCC2)C[C@H]1O ZINC000823701085 925723448 /nfs/dbraw/zinc/72/34/48/925723448.db2.gz LLZKAOCZBRXFEE-JKSUJKDBSA-N 3 0 297.487 1.353 50 0 CDAARP Cn1cc[n+](C[C@@H]2CCCC[C@H]2C[n+]2ccn(C)c2)c1 ZINC000825636156 925875843 /nfs/dbraw/zinc/87/58/43/925875843.db2.gz ISCBWZIRJSLAJH-HOTGVXAUSA-N 2 0 274.412 1.445 50 0 CDAARP Cc1nncn1CC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001529110772 968984103 /nfs/dbraw/zinc/98/41/03/968984103.db2.gz ORIKZQQQSFGIKP-UHFFFAOYSA-N 2 0 263.389 1.004 50 0 CDAARP CCc1nccn1C[C@H](C)[NH2+]CC1(CO)CCC1 ZINC001506421628 975158110 /nfs/dbraw/zinc/15/81/10/975158110.db2.gz RVBZYUGNCVODJT-LBPRGKRZSA-N 2 0 251.374 1.586 50 0 CDAARP Cc1cc(N)cc(C[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2)c1 ZINC000685940391 539045822 /nfs/dbraw/zinc/04/58/22/539045822.db2.gz IHYRHOPDKSPADK-CQSZACIVSA-N 2 0 287.411 1.218 50 0 CDAARP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[NH2+]C[C@H]2CO)CC1 ZINC000097745224 185660050 /nfs/dbraw/zinc/66/00/50/185660050.db2.gz BFXOEGPCYXSQGC-AWEZNQCLSA-N 2 0 292.427 1.211 50 0 CDAARP C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCCCCC1 ZINC000584896044 349357537 /nfs/dbraw/zinc/35/75/37/349357537.db2.gz BVSBFICSFPGGOV-CQSZACIVSA-N 2 0 267.417 1.463 50 0 CDAARP CC[NH+]1CCC(C[NH2+][C@@H](C)COC)(N(C)C)CC1 ZINC000584899893 349361685 /nfs/dbraw/zinc/36/16/85/349361685.db2.gz LENOWUJFLLFYHR-ZDUSSCGKSA-N 2 0 257.422 1.027 50 0 CDAARP Cc1cccc(OC2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)c1 ZINC000091603873 180203542 /nfs/dbraw/zinc/20/35/42/180203542.db2.gz HYELNSUWFWKJNK-HNNXBMFYSA-N 2 0 291.395 1.041 50 0 CDAARP CNc1ccnc(N2CCC3(CC[N@H+](C)C3)CC2)n1 ZINC000065425400 357540498 /nfs/dbraw/zinc/54/04/98/357540498.db2.gz QJWUSBAECMGWJL-UHFFFAOYSA-N 2 0 261.373 1.440 50 0 CDAARP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000195119597 358551982 /nfs/dbraw/zinc/55/19/82/358551982.db2.gz CJZQUHVFHBWUHT-HOTGVXAUSA-N 2 0 287.407 1.601 50 0 CDAARP Cc1nc(CNC(=O)CCC2CC[NH+](C)CC2)n(C)c1C ZINC000299801412 372771162 /nfs/dbraw/zinc/77/11/62/372771162.db2.gz YJLMWINDESAZGK-UHFFFAOYSA-N 2 0 292.427 1.775 50 0 CDAARP CN(C)[C@H](C(=O)N[C@H]1CC[C@@H]([NH3+])CC1)c1cccc(F)c1 ZINC000248044771 377194410 /nfs/dbraw/zinc/19/44/10/377194410.db2.gz WCHIWQZNLMFAQJ-ZNMIVQPWSA-N 2 0 293.386 1.815 50 0 CDAARP CCOCC[N@@H+]1CCN(c2ncnc3[nH]ccc32)C[C@H]1C ZINC000242197005 391681241 /nfs/dbraw/zinc/68/12/41/391681241.db2.gz XGXKCPQKUZOIQW-GFCCVEGCSA-N 2 0 289.383 1.505 50 0 CDAARP CC[NH+](CC)CCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000019470496 276097264 /nfs/dbraw/zinc/09/72/64/276097264.db2.gz VJDGCDQNBDNSDB-INIZCTEOSA-N 2 0 289.423 1.549 50 0 CDAARP CCC(CC)(C[NH3+])C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000888097909 617759249 /nfs/dbraw/zinc/75/92/49/617759249.db2.gz STOXAKAIDKXYLI-CQSZACIVSA-N 3 0 294.447 1.139 50 0 CDAARP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000864097316 699005613 /nfs/dbraw/zinc/00/56/13/699005613.db2.gz SKXRPQMNTQSMQS-UKRRQHHQSA-N 2 0 278.396 1.404 50 0 CDAARP CC[C@@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878147236 850483336 /nfs/dbraw/zinc/48/33/36/850483336.db2.gz AUXQACSRGCSPED-INIZCTEOSA-N 2 0 281.444 1.709 50 0 CDAARP CC[C@@H](C(=O)NC[C@H]1C[NH2+]Cc2ccccc21)[NH+](C)C ZINC000952852326 910408525 /nfs/dbraw/zinc/40/85/25/910408525.db2.gz WAGIHBITGQITOL-HIFRSBDPSA-N 2 0 275.396 1.330 50 0 CDAARP Cc1nc(C[NH3+])cc(N(C)CC[N@H+]2CCCC[C@H]2C)n1 ZINC000827452424 925941385 /nfs/dbraw/zinc/94/13/85/925941385.db2.gz PPXSJYVSVCUIGN-GFCCVEGCSA-N 2 0 277.416 1.554 50 0 CDAARP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CN(C)CCO1 ZINC000095429630 351398055 /nfs/dbraw/zinc/39/80/55/351398055.db2.gz VIWHFHNPZPIKEC-MRLBHPIUSA-N 2 0 297.443 1.083 50 0 CDAARP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558362 356782975 /nfs/dbraw/zinc/78/29/75/356782975.db2.gz IRLTZKCWYYDQOV-MRXNPFEDSA-N 2 0 297.487 1.618 50 0 CDAARP [NH3+][C@@H]1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067754347 357624496 /nfs/dbraw/zinc/62/44/96/357624496.db2.gz DSZJFNGJOOZYSH-CYBMUJFWSA-N 2 0 295.390 1.327 50 0 CDAARP CC(C)C[N@H+](C)CCN1CC2(CC[NH+](C)CC2)OC1=O ZINC000072469772 357837680 /nfs/dbraw/zinc/83/76/80/357837680.db2.gz XUXGQBLSFBYPKA-UHFFFAOYSA-N 2 0 283.416 1.491 50 0 CDAARP Cc1nc(C2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc(=O)[nH]1 ZINC000102353255 358875500 /nfs/dbraw/zinc/87/55/00/358875500.db2.gz XQNWXPIKDVLVQH-WDNDVIMCSA-N 2 0 288.395 1.135 50 0 CDAARP CCSC[C@@H](C)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426383118 360661131 /nfs/dbraw/zinc/66/11/31/360661131.db2.gz JZIYASHCHALCTD-CQSZACIVSA-N 2 0 285.501 1.888 50 0 CDAARP CC(C)[NH+]1CCC(CN2CCN3CC[N@H+](C)C[C@H]3C2)CC1 ZINC000106251106 361595200 /nfs/dbraw/zinc/59/52/00/361595200.db2.gz ZUWMMWASXDKCJA-KRWDZBQOSA-N 2 0 294.487 1.038 50 0 CDAARP C[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000089901538 366962101 /nfs/dbraw/zinc/96/21/01/366962101.db2.gz NXOAHIPOASISNC-AWEZNQCLSA-N 2 0 291.439 1.687 50 0 CDAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000299738717 375199120 /nfs/dbraw/zinc/19/91/20/375199120.db2.gz FMRYHZJVWARLMI-MGPQQGTHSA-N 2 0 267.417 1.447 50 0 CDAARP c1ccc(C[NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000020072366 170983131 /nfs/dbraw/zinc/98/31/31/170983131.db2.gz JNKCMBDUXKJKFI-KRWDZBQOSA-N 2 0 273.424 1.804 50 0 CDAARP O[C@]1(C[NH2+]CCCSc2ccccc2)CC[NH2+]C1 ZINC000077337279 177253959 /nfs/dbraw/zinc/25/39/59/177253959.db2.gz ICVZWAAOZUTXRI-AWEZNQCLSA-N 2 0 266.410 1.483 50 0 CDAARP C([C@@H]1CO[C@@H](C[NH+]2CCCCC2)CO1)[NH+]1CCCCC1 ZINC000005375652 276819872 /nfs/dbraw/zinc/81/98/72/276819872.db2.gz BEFJMYHUNJUINT-IYBDPMFKSA-N 2 0 282.428 1.742 50 0 CDAARP CC(C)(C)OC(=O)N1CC[NH+](CCCC[NH3+])CC1 ZINC000002525356 482203337 /nfs/dbraw/zinc/20/33/37/482203337.db2.gz ZVLALOSAKAKWTC-UHFFFAOYSA-N 2 0 257.378 1.278 50 0 CDAARP CSCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554590 363461447 /nfs/dbraw/zinc/46/14/47/363461447.db2.gz OSVOKESMUGCZDC-JSGCOSHPSA-N 2 0 299.484 1.542 50 0 CDAARP Cn1cncc1CN(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000067688706 357619137 /nfs/dbraw/zinc/61/91/37/357619137.db2.gz PVIAVBMJYUUPLI-UHFFFAOYSA-N 2 0 299.422 1.912 50 0 CDAARP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC000095353712 358683606 /nfs/dbraw/zinc/68/36/06/358683606.db2.gz YLGSTNDDQKDHER-NXEZZACHSA-N 2 0 275.327 1.637 50 0 CDAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000261796515 140390362 /nfs/dbraw/zinc/39/03/62/140390362.db2.gz VFKWETAESSJQRE-NVXWUHKLSA-N 2 0 287.407 1.016 50 0 CDAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000261796514 140390768 /nfs/dbraw/zinc/39/07/68/140390768.db2.gz VFKWETAESSJQRE-DOTOQJQBSA-N 2 0 287.407 1.016 50 0 CDAARP C[N@H+](CCCNC(=O)[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000534672293 328347964 /nfs/dbraw/zinc/34/79/64/328347964.db2.gz JSGSNAWQGUQHNI-AWEZNQCLSA-N 2 0 281.444 1.757 50 0 CDAARP CN(Cc1ccc(CO)o1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000670437739 482978447 /nfs/dbraw/zinc/97/84/47/482978447.db2.gz NZMQQVGOTQEAFW-AWEZNQCLSA-N 2 0 252.358 1.546 50 0 CDAARP C[C@H](C(=O)N1CCC(Oc2ccncc2)CC1)[NH+](C)C ZINC000426689967 712000852 /nfs/dbraw/zinc/00/08/52/712000852.db2.gz VFTMCOAAPPZASI-GFCCVEGCSA-N 2 0 277.368 1.402 50 0 CDAARP CCSC[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000823421477 925696369 /nfs/dbraw/zinc/69/63/69/925696369.db2.gz SHKUPGXFUOCFFT-GFCCVEGCSA-N 2 0 260.447 1.517 50 0 CDAARP C[C@H](CN1CC[NH+](C)CC1)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000823789111 925732777 /nfs/dbraw/zinc/73/27/77/925732777.db2.gz HAJZYFCQZLDOIN-MRXNPFEDSA-N 3 0 294.487 1.040 50 0 CDAARP Cc1nncn1CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000825297045 925862087 /nfs/dbraw/zinc/86/20/87/925862087.db2.gz MIMRXDUUPKYVDN-UHFFFAOYSA-N 2 0 263.389 1.052 50 0 CDAARP CCCCc1nc(CN2CCOC[C@H](C[NH+](C)C)C2)c[nH]1 ZINC000584900522 341999657 /nfs/dbraw/zinc/99/96/57/341999657.db2.gz OAKCLQXLXQVIQK-CQSZACIVSA-N 2 0 294.443 1.762 50 0 CDAARP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CC1)C1CCCC1 ZINC000252500639 361851145 /nfs/dbraw/zinc/85/11/45/361851145.db2.gz SZQHPWUGPYIAOH-HNNXBMFYSA-N 2 0 279.428 1.604 50 0 CDAARP Cc1csc(C[N@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)n1 ZINC000244742316 361861489 /nfs/dbraw/zinc/86/14/89/361861489.db2.gz OFQANBWGMOLRHD-UHFFFAOYSA-N 2 0 294.468 1.711 50 0 CDAARP CCSC[C@@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584891053 349350210 /nfs/dbraw/zinc/35/02/10/349350210.db2.gz LJCXJQAJIYQWKK-CYBMUJFWSA-N 2 0 273.490 1.744 50 0 CDAARP [NH3+]C1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000114836764 350861816 /nfs/dbraw/zinc/86/18/16/350861816.db2.gz FYVPTKUQGAZWIY-DZGCQCFKSA-N 2 0 251.418 1.674 50 0 CDAARP C([C@H]1CO[C@@H](C[NH+]2CCCCC2)CO1)[NH+]1CCCCC1 ZINC000005375676 356053278 /nfs/dbraw/zinc/05/32/78/356053278.db2.gz BEFJMYHUNJUINT-HOTGVXAUSA-N 2 0 282.428 1.742 50 0 CDAARP Cc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)nc1 ZINC000095416621 357302321 /nfs/dbraw/zinc/30/23/21/357302321.db2.gz JBZBWJIQZSFMNM-UHFFFAOYSA-N 2 0 276.428 1.506 50 0 CDAARP O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)NCC1CC1 ZINC000097200650 358188351 /nfs/dbraw/zinc/18/83/51/358188351.db2.gz KZEAABMUAZWRAO-CQSZACIVSA-N 2 0 288.395 1.342 50 0 CDAARP CN1C[C@@H](C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)CC1=O ZINC000215738610 358901033 /nfs/dbraw/zinc/90/10/33/358901033.db2.gz DXNWEAPOALUYNB-GFCCVEGCSA-N 2 0 295.452 1.720 50 0 CDAARP CCC[NH+]1CCC(N(C)C2CC[NH+](C)CC2)CC1 ZINC000000221721 359333102 /nfs/dbraw/zinc/33/31/02/359333102.db2.gz SYFPLGLJWXUTNV-UHFFFAOYSA-N 2 0 253.434 1.887 50 0 CDAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000037644246 369505239 /nfs/dbraw/zinc/50/52/39/369505239.db2.gz CGOHSXGVSPBUPW-AWEZNQCLSA-N 2 0 276.380 1.889 50 0 CDAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@H](O)c1ccccc1 ZINC000002651821 375287785 /nfs/dbraw/zinc/28/77/85/375287785.db2.gz NALMREUCQWFZEN-AWEZNQCLSA-N 2 0 250.386 1.897 50 0 CDAARP CN1CCC([N@H+](C)C[C@H](O)COCc2cccs2)CC1 ZINC000003242443 375599624 /nfs/dbraw/zinc/59/96/24/375599624.db2.gz VQPWLQYSSFVPLU-AWEZNQCLSA-N 2 0 298.452 1.652 50 0 CDAARP C[NH+](C)CCC[NH+]=C1NC=N[C@@H]2C=C(Cl)C=C[C@@H]12 ZINC000004085128 375863177 /nfs/dbraw/zinc/86/31/77/375863177.db2.gz IHVLCFGXWABDPI-VXGBXAGGSA-N 2 0 266.776 1.645 50 0 CDAARP CC[N@H+](C)C1(CNC(=O)[C@@H]2CC[NH+](C)C2)CCCCC1 ZINC000670450797 483015999 /nfs/dbraw/zinc/01/59/99/483015999.db2.gz DIGNDCFDRPYIDZ-CQSZACIVSA-N 2 0 281.444 1.709 50 0 CDAARP C[C@H](C[N@@H+]1CCc2ccccc2C1)Nc1nnc(CN)o1 ZINC001772709106 1159443278 /nfs/dbraw/zinc/44/32/78/1159443278.db2.gz HVDBAHCUGZUDFQ-LLVKDONJSA-N 2 0 287.367 1.387 50 0 CDAARP C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000823770091 925728229 /nfs/dbraw/zinc/72/82/29/925728229.db2.gz MBVVPHCBWGOAHE-CQSZACIVSA-N 2 0 252.402 1.973 50 0 CDAARP COC(C)(C)C[C@@H](C)[NH+]1CCC(CO)(C[NH+](C)C)CC1 ZINC000824250089 925810850 /nfs/dbraw/zinc/81/08/50/925810850.db2.gz PQJYJXCHXTYRQS-CQSZACIVSA-N 2 0 286.460 1.826 50 0 CDAARP c1ccc(N2CC[C@H]([N@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)C2)cc1 ZINC001506411269 975154559 /nfs/dbraw/zinc/15/45/59/975154559.db2.gz PIDUZWHHSWHDRW-IECFSIQFSA-N 2 0 283.419 1.948 50 0 CDAARP CC(C)=CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000095983992 185055077 /nfs/dbraw/zinc/05/50/77/185055077.db2.gz XKZRYSAZHFJVPD-UHFFFAOYSA-N 2 0 253.434 1.910 50 0 CDAARP c1nc2ccccc2n1CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000244695613 361857418 /nfs/dbraw/zinc/85/74/18/361857418.db2.gz JPIUCABRQUVLAG-OAHLLOKOSA-N 2 0 299.422 1.016 50 0 CDAARP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000091394229 180145321 /nfs/dbraw/zinc/14/53/21/180145321.db2.gz JFVQQBOBSJMSDM-HUUCEWRRSA-N 2 0 275.396 1.629 50 0 CDAARP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436182 357472319 /nfs/dbraw/zinc/47/23/19/357472319.db2.gz WYSLSWFNDCYREB-UONOGXRCSA-N 2 0 267.417 1.319 50 0 CDAARP O[C@]1(C[NH2+]CCOCc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000072423353 357833687 /nfs/dbraw/zinc/83/36/87/357833687.db2.gz FGEODQWLUVBJLE-OAHLLOKOSA-N 2 0 298.814 1.561 50 0 CDAARP Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](C)C2)n1C ZINC000095353332 358682402 /nfs/dbraw/zinc/68/24/02/358682402.db2.gz DSPSCFCIFNFKIC-GFCCVEGCSA-N 2 0 274.372 1.178 50 0 CDAARP c1cc2nonc2c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000426690200 360696699 /nfs/dbraw/zinc/69/66/99/360696699.db2.gz AOBQKVNQUUHGKI-UHFFFAOYSA-N 2 0 288.351 1.177 50 0 CDAARP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000191454512 361059342 /nfs/dbraw/zinc/05/93/42/361059342.db2.gz OFDNEFLRXNUJBB-INIZCTEOSA-N 2 0 283.460 1.513 50 0 CDAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000299738848 375199869 /nfs/dbraw/zinc/19/98/69/375199869.db2.gz HGDZUPIHBXPBAJ-ZIAGYGMSSA-N 2 0 267.417 1.319 50 0 CDAARP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@H+](CC)C1)[C@H]2O ZINC000250221049 377101896 /nfs/dbraw/zinc/10/18/96/377101896.db2.gz WKQPIKSIYRSCAO-QDMKHBRRSA-N 2 0 254.418 1.859 50 0 CDAARP C[NH2+]CC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071750938 176260056 /nfs/dbraw/zinc/26/00/56/176260056.db2.gz WGMQZGHFNTZMBX-CGTJXYLNSA-N 2 0 299.418 1.295 50 0 CDAARP CCc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)on1 ZINC000072133621 176321818 /nfs/dbraw/zinc/32/18/18/176321818.db2.gz UJSAQHNZLFRTHH-HNNXBMFYSA-N 2 0 281.400 1.516 50 0 CDAARP c1ccc(N2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000415074056 534497737 /nfs/dbraw/zinc/49/77/37/534497737.db2.gz BTZAFYNJKOKNKB-OAHLLOKOSA-N 2 0 259.397 1.855 50 0 CDAARP CC[N@@H+]1CCC[C@@](C)(C[NH+]2CCC[C@H](CO)C2)C1 ZINC000199296805 906392446 /nfs/dbraw/zinc/39/24/46/906392446.db2.gz XJCQVGGYQAVAFX-LSDHHAIUSA-N 2 0 254.418 1.813 50 0 CDAARP CCN(C)C[C@@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000823074733 925666421 /nfs/dbraw/zinc/66/64/21/925666421.db2.gz JONQCQQUQMFEIB-CYBMUJFWSA-N 2 0 250.390 1.154 50 0 CDAARP CC[N@H+](C)C1(CNC(=O)CC[NH+]2CCCC2)CCCC1 ZINC000823067850 925666916 /nfs/dbraw/zinc/66/69/16/925666916.db2.gz OEGQEYCJGLUDRF-UHFFFAOYSA-N 2 0 281.444 1.853 50 0 CDAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@H]2CCSC2)CC1 ZINC000828605335 926148311 /nfs/dbraw/zinc/14/83/11/926148311.db2.gz JGHDERYAFLIZPJ-ZDUSSCGKSA-N 2 0 270.442 1.415 50 0 CDAARP C[C@H](c1cnccn1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000184451249 230395669 /nfs/dbraw/zinc/39/56/69/230395669.db2.gz HBKRBUUWSVTEST-CQSZACIVSA-N 2 0 290.411 1.582 50 0 CDAARP C1C[C@@H]([NH2+]C2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000584903972 341994128 /nfs/dbraw/zinc/99/41/28/341994128.db2.gz HINZUWSLIYPDRA-CYBMUJFWSA-N 2 0 270.442 1.725 50 0 CDAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccncc2)CC1 ZINC000244787527 361863076 /nfs/dbraw/zinc/86/30/76/361863076.db2.gz PYPGEKXAQPARNW-UHFFFAOYSA-N 2 0 289.423 1.752 50 0 CDAARP C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCCCCC1 ZINC000584896040 349357493 /nfs/dbraw/zinc/35/74/93/349357493.db2.gz BVSBFICSFPGGOV-AWEZNQCLSA-N 2 0 267.417 1.463 50 0 CDAARP C=C[Si]1(C)[NH2+][Si](C)(C=C)[NH2+][Si](C)(C=C)[NH2+]1 ZINC000170173519 188669936 /nfs/dbraw/zinc/66/99/36/188669936.db2.gz RFSBGZWBVNPVNN-UHFFFAOYSA-N 3 0 255.546 1.160 50 0 CDAARP O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)NCC1CC1 ZINC000097200649 358188720 /nfs/dbraw/zinc/18/87/20/358188720.db2.gz KZEAABMUAZWRAO-AWEZNQCLSA-N 2 0 288.395 1.342 50 0 CDAARP CCc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)C2)nc1 ZINC000215485705 358890783 /nfs/dbraw/zinc/89/07/83/358890783.db2.gz ROESBPAAMSFGEH-QGZVFWFLSA-N 2 0 288.439 1.466 50 0 CDAARP C[C@H](CCn1cccn1)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426479098 360673923 /nfs/dbraw/zinc/67/39/23/360673923.db2.gz YYEDJCQGLOUMQK-CQSZACIVSA-N 2 0 278.400 1.116 50 0 CDAARP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000252489752 367583275 /nfs/dbraw/zinc/58/32/75/367583275.db2.gz JZEXERQXNBQUGI-MRXNPFEDSA-N 2 0 293.455 1.946 50 0 CDAARP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000095466866 374962184 /nfs/dbraw/zinc/96/21/84/374962184.db2.gz WVKGMHHCEFESJS-NSHDSACASA-N 2 0 283.803 1.577 50 0 CDAARP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021987 390822604 /nfs/dbraw/zinc/82/26/04/390822604.db2.gz IINJXOIZFRSOGL-DGCLKSJQSA-N 2 0 262.353 1.627 50 0 CDAARP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000095967795 393156489 /nfs/dbraw/zinc/15/64/89/393156489.db2.gz HYTQJQCEXUVJFB-CABCVRRESA-N 2 0 293.430 1.982 50 0 CDAARP Cc1cc(C)nc(CN(C)C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000072417918 567901793 /nfs/dbraw/zinc/90/17/93/567901793.db2.gz MSUAXJGOKJINEC-OAHLLOKOSA-N 2 0 263.385 1.245 50 0 CDAARP Cc1[nH+]c(CN2CC[C@H]3C[NH2+]C[C@H]32)c2ccccn12 ZINC000426443392 677746596 /nfs/dbraw/zinc/74/65/96/677746596.db2.gz OAOHZXXVGQLABQ-SWLSCSKDSA-N 2 0 256.353 1.436 50 0 CDAARP O[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1F ZINC000952963035 678407405 /nfs/dbraw/zinc/40/74/05/678407405.db2.gz HGUYWWFDGOKKSH-CHWSQXEVSA-N 2 0 256.365 1.313 50 0 CDAARP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000864094032 678986798 /nfs/dbraw/zinc/98/67/98/678986798.db2.gz ATJCXNUHTLWJKW-ZDUSSCGKSA-N 2 0 282.432 1.254 50 0 CDAARP C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000003880959 356012313 /nfs/dbraw/zinc/01/23/13/356012313.db2.gz CFDWJPMGCABITD-UHFFFAOYSA-N 2 0 250.342 1.117 50 0 CDAARP CCCn1ncc(CN2CCO[C@@H](CC[NH+](C)C)C2)c1C ZINC000012705994 356318803 /nfs/dbraw/zinc/31/88/03/356318803.db2.gz VUAPWLMUBVPRTD-INIZCTEOSA-N 2 0 294.443 1.754 50 0 CDAARP OCC[NH+]1CCN(C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000019359110 356482421 /nfs/dbraw/zinc/48/24/21/356482421.db2.gz QGMZCRORTGXBSG-UHFFFAOYSA-N 2 0 281.444 1.003 50 0 CDAARP Cc1ccccc1C[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038100 356897208 /nfs/dbraw/zinc/89/72/08/356897208.db2.gz XEVLWLWPJKXLHN-UHFFFAOYSA-N 2 0 261.413 1.852 50 0 CDAARP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000240471633 376016851 /nfs/dbraw/zinc/01/68/51/376016851.db2.gz GDILOLXJPWOZLM-RWMBFGLXSA-N 2 0 291.361 1.839 50 0 CDAARP Cc1nc(CC[NH3+])cc(N2CCC[N@@H+](CC(C)C)CC2)n1 ZINC000067868410 377273286 /nfs/dbraw/zinc/27/32/86/377273286.db2.gz QELNGVNSIHQWSY-UHFFFAOYSA-N 2 0 291.443 1.454 50 0 CDAARP COCC[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000257196936 391245761 /nfs/dbraw/zinc/24/57/61/391245761.db2.gz ZDTNDHPAROLFNS-UHFFFAOYSA-N 2 0 276.380 1.650 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000223675796 391927920 /nfs/dbraw/zinc/92/79/20/391927920.db2.gz CZZXLDWXLVABNN-CYBMUJFWSA-N 2 0 276.384 1.260 50 0 CDAARP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3)C[C@H]12 ZINC000261856019 140398774 /nfs/dbraw/zinc/39/87/74/140398774.db2.gz XEGNLKHGZQVCOH-AEGPPILISA-N 2 0 273.380 1.684 50 0 CDAARP CC[C@@H]1C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCN1C(C)C ZINC000952980838 679818879 /nfs/dbraw/zinc/81/88/79/679818879.db2.gz KYFMNZPMZBCCLY-KBXIAJHMSA-N 2 0 251.418 1.256 50 0 CDAARP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000952990107 682145115 /nfs/dbraw/zinc/14/51/15/682145115.db2.gz GBQQOBJCIXULPV-HNNXBMFYSA-N 2 0 293.455 1.948 50 0 CDAARP CC1(C)CC(O)([C@H]([NH3+])c2nccs2)CC(C)(C)[NH2+]1 ZINC000958528873 682811647 /nfs/dbraw/zinc/81/16/47/682811647.db2.gz XMRXCQZCRUCHMQ-SECBINFHSA-N 2 0 269.414 1.815 50 0 CDAARP CC[C@H](C(=O)NCC[NH+]1CCCCC1)[N@H+](C)CC ZINC000822555075 1161928533 /nfs/dbraw/zinc/92/85/33/1161928533.db2.gz JIBHGDVYFVSPNW-CYBMUJFWSA-N 2 0 255.406 1.319 50 0 CDAARP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000828713505 926168679 /nfs/dbraw/zinc/16/86/79/926168679.db2.gz GCUABCSLARIBDQ-MRXNPFEDSA-N 2 0 292.423 1.831 50 0 CDAARP C[NH+]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000019257555 356478091 /nfs/dbraw/zinc/47/80/91/356478091.db2.gz OVCNUPZAXKIGQJ-ZDUSSCGKSA-N 2 0 253.777 1.587 50 0 CDAARP CN(C)c1ccc(C2=NNC(=O)C2CCC[NH3+])cc1 ZINC000034792274 356819938 /nfs/dbraw/zinc/81/99/38/356819938.db2.gz NSFYUTBCOHLKHH-UHFFFAOYSA-N 2 0 260.341 1.740 50 0 CDAARP Nc1nc(NCC2CCOCC2)cc(C2CC([NH3+])C2)n1 ZINC000222623411 359360169 /nfs/dbraw/zinc/36/01/69/359360169.db2.gz UUCXRQKOOAWICR-UHFFFAOYSA-N 2 0 277.372 1.102 50 0 CDAARP C[C@H]1C[N@@H+](C2CCN(C[C@@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000089941159 366974666 /nfs/dbraw/zinc/97/46/66/366974666.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 2 0 281.444 1.123 50 0 CDAARP OC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299801727 372772828 /nfs/dbraw/zinc/77/28/28/372772828.db2.gz YMTFPDFZSOIGFC-CQSZACIVSA-N 2 0 276.380 1.373 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cnn(CC[NH+](C)C)c1 ZINC000097037673 375139450 /nfs/dbraw/zinc/13/94/50/375139450.db2.gz QSJBCARSVWVSQO-IPYPFGDCSA-N 2 0 279.432 1.585 50 0 CDAARP CN1CCC[N@H+](CC[C@@H]2CC2(F)F)CC12CC[NH2+]CC2 ZINC000534667434 328345775 /nfs/dbraw/zinc/34/57/75/328345775.db2.gz PDGFFNHGEQDFIX-CYBMUJFWSA-N 2 0 287.398 1.791 50 0 CDAARP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000679385412 483354765 /nfs/dbraw/zinc/35/47/65/483354765.db2.gz DIYYCXZNVKXLLW-HNNXBMFYSA-N 2 0 293.459 1.277 50 0 CDAARP CC[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)[N@H+](C)CC ZINC000822554853 1161928325 /nfs/dbraw/zinc/92/83/25/1161928325.db2.gz OGBLGSWAWYYMTC-ZDUSSCGKSA-N 2 0 269.433 1.707 50 0 CDAARP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000864097314 686554796 /nfs/dbraw/zinc/55/47/96/686554796.db2.gz SKXRPQMNTQSMQS-DZGCQCFKSA-N 2 0 278.396 1.404 50 0 CDAARP CC[N@@H+]1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000067855427 687386760 /nfs/dbraw/zinc/38/67/60/687386760.db2.gz VQDWRQCBVZKFRR-CYBMUJFWSA-N 2 0 250.390 1.644 50 0 CDAARP Cc1cc(C)c2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCN3C)c2c1 ZINC001506399582 975148866 /nfs/dbraw/zinc/14/88/66/975148866.db2.gz AQOJMRGOVBEBSZ-OAHLLOKOSA-N 2 0 298.434 1.931 50 0 CDAARP Cc1nncn1CC[NH+]1CCC2(CC1)CCC[N@@H+](C)CC2 ZINC001506421239 975158068 /nfs/dbraw/zinc/15/80/68/975158068.db2.gz HSBTYLRQAYVGEL-UHFFFAOYSA-N 2 0 291.443 1.784 50 0 CDAARP COCCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000096014162 185066380 /nfs/dbraw/zinc/06/63/80/185066380.db2.gz LKXSWUZOYFJFSL-UHFFFAOYSA-N 2 0 297.487 1.763 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000262670353 362017908 /nfs/dbraw/zinc/01/79/08/362017908.db2.gz NLRHAMHFAWGMPF-MQYQWHSLSA-N 2 0 267.417 1.303 50 0 CDAARP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091545352 180186488 /nfs/dbraw/zinc/18/64/88/180186488.db2.gz CGOYEHCGEWDXTK-OLZOCXBDSA-N 2 0 261.369 1.814 50 0 CDAARP Nc1nc(NCC[NH+]2CCCC2)c2c([nH+]1)CCCC2 ZINC000091737438 180243901 /nfs/dbraw/zinc/24/39/01/180243901.db2.gz MNLMFDRCFKBDHZ-UHFFFAOYSA-N 2 0 261.373 1.445 50 0 CDAARP C[NH2+]C(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000067954787 357640198 /nfs/dbraw/zinc/64/01/98/357640198.db2.gz SDKYMYRROLHANG-CYBMUJFWSA-N 2 0 269.433 1.469 50 0 CDAARP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@@H](C)C1 ZINC000195563330 358565544 /nfs/dbraw/zinc/56/55/44/358565544.db2.gz PHRYXUSUVCPLHH-UONOGXRCSA-N 2 0 298.427 1.276 50 0 CDAARP OC[C@@H]1C[N@H+](Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000409421499 360229975 /nfs/dbraw/zinc/22/99/75/360229975.db2.gz ZLJCQDUIHBAHHP-AWEZNQCLSA-N 2 0 278.371 1.620 50 0 CDAARP C[C@H](CCn1cccn1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426661969 360694327 /nfs/dbraw/zinc/69/43/27/360694327.db2.gz GKWRWPLZIIZCOX-CQSZACIVSA-N 2 0 262.401 1.737 50 0 CDAARP CCCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252513902 367726003 /nfs/dbraw/zinc/72/60/03/367726003.db2.gz AQWQWFFHNJJHCD-HIFRSBDPSA-N 2 0 281.444 1.979 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH2+]C)[C@H](C)C1 ZINC000430799199 285384288 /nfs/dbraw/zinc/38/42/88/285384288.db2.gz WNYDKRPOMFCMGZ-OLZOCXBDSA-N 2 0 255.406 1.175 50 0 CDAARP CC(C)NC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000012205937 391412191 /nfs/dbraw/zinc/41/21/91/391412191.db2.gz PEXVNUNEIOBZQA-ZDUSSCGKSA-N 2 0 267.417 1.317 50 0 CDAARP C(CCSC1=[NH+]CCCN1)CSC1=[NH+]CCCN1 ZINC000004916067 170040309 /nfs/dbraw/zinc/04/03/09/170040309.db2.gz GLVGPWJVRKOOFX-UHFFFAOYSA-N 2 0 286.470 1.932 50 0 CDAARP CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299739310 279134114 /nfs/dbraw/zinc/13/41/14/279134114.db2.gz NFYBWFJPNXYVLH-MGPQQGTHSA-N 2 0 269.433 1.549 50 0 CDAARP CC[N@@H+]1CCC[C@@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC000032540699 279293003 /nfs/dbraw/zinc/29/30/03/279293003.db2.gz BCSJDSWAOGLBCU-LSDHHAIUSA-N 2 0 253.434 1.885 50 0 CDAARP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000091392050 289372334 /nfs/dbraw/zinc/37/23/34/289372334.db2.gz KREYCRCOJQIIBC-LSDHHAIUSA-N 2 0 275.396 1.282 50 0 CDAARP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)C[C@@](C)(C1)C2 ZINC000534649302 328343782 /nfs/dbraw/zinc/34/37/82/328343782.db2.gz VFNKGHFVGANEEA-WTTBNOFXSA-N 2 0 293.455 1.694 50 0 CDAARP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757216240 577036414 /nfs/dbraw/zinc/03/64/14/577036414.db2.gz ZISZUACPNHCOLW-ZNSHCXBVSA-N 2 0 265.323 1.244 50 0 CDAARP Cc1cc(N2CC[NH+](CCC(N)=O)CC2)c2ccccc2[nH+]1 ZINC000032592878 688721469 /nfs/dbraw/zinc/72/14/69/688721469.db2.gz FZNUVTLYYWBJIA-UHFFFAOYSA-N 2 0 298.390 1.541 50 0 CDAARP [NH3+][C@H](C1CCCCCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528624 901867903 /nfs/dbraw/zinc/86/79/03/901867903.db2.gz XFMHLFPYNMCAMP-PEUVFPKISA-N 2 0 252.402 1.930 50 0 CDAARP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](CC[NH+](C)C)C1 ZINC000952880292 910442341 /nfs/dbraw/zinc/44/23/41/910442341.db2.gz CIFPFWKNCSBTSY-CYBMUJFWSA-N 2 0 265.405 1.380 50 0 CDAARP CCN(C)C[C@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000823074734 925667439 /nfs/dbraw/zinc/66/74/39/925667439.db2.gz JONQCQQUQMFEIB-ZDUSSCGKSA-N 2 0 250.390 1.154 50 0 CDAARP C[C@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000685939539 539045752 /nfs/dbraw/zinc/04/57/52/539045752.db2.gz YQXMSUPDGINDGU-CVEARBPZSA-N 2 0 293.455 1.948 50 0 CDAARP CC(C)[C@H]1[N@H+](Cc2ccccc2)C[C@@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944109 539046064 /nfs/dbraw/zinc/04/60/64/539046064.db2.gz LVUNZYDAQWYWGR-VQHPVUNQSA-N 2 0 274.408 1.995 50 0 CDAARP CCOc1ccc(CNC(=[NH2+])NC(N)=[NH2+])cc1Cl ZINC000000341066 355905238 /nfs/dbraw/zinc/90/52/38/355905238.db2.gz FLLSTZGHJKFAOG-UHFFFAOYSA-N 2 0 269.736 1.246 50 0 CDAARP CCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013732677 356355362 /nfs/dbraw/zinc/35/53/62/356355362.db2.gz AUTJRDGREMFZGV-UHFFFAOYSA-N 2 0 252.358 1.147 50 0 CDAARP c1ccc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc1 ZINC000022588639 356617552 /nfs/dbraw/zinc/61/75/52/356617552.db2.gz WNEKVKFZHNGHEH-UHFFFAOYSA-N 2 0 290.455 1.051 50 0 CDAARP Cc1nn(CC[NH+]2CCSCC2)cc1C[NH2+]CC1CC1 ZINC000065404769 357537615 /nfs/dbraw/zinc/53/76/15/357537615.db2.gz HCBBCDNMBQGMGP-UHFFFAOYSA-N 2 0 294.468 1.740 50 0 CDAARP O[C@]1(C[NH2+]CCCSCc2ccco2)CCC[NH2+]C1 ZINC000072479174 357838997 /nfs/dbraw/zinc/83/89/97/357838997.db2.gz WFUXDVYTHTXYFS-CQSZACIVSA-N 2 0 284.425 1.607 50 0 CDAARP [NH3+]CC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071745896 176258533 /nfs/dbraw/zinc/25/85/33/176258533.db2.gz COBOGMVNJVZSCJ-USXIJHARSA-N 2 0 285.391 1.034 50 0 CDAARP CN1CCC[N@H+](C[C@H]2CCCOC2)CC12CC[NH2+]CC2 ZINC000534666306 328345282 /nfs/dbraw/zinc/34/52/82/328345282.db2.gz LXFWJZBRVOPZAI-OAHLLOKOSA-N 2 0 281.444 1.173 50 0 CDAARP C[NH+](C)CC1(O)CC[NH+](CC2=CCCCC2)CC1 ZINC000670450924 483015953 /nfs/dbraw/zinc/01/59/53/483015953.db2.gz SATZTAIHXFJIIQ-UHFFFAOYSA-N 2 0 252.402 1.875 50 0 CDAARP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000679385413 483354548 /nfs/dbraw/zinc/35/45/48/483354548.db2.gz DIYYCXZNVKXLLW-OAHLLOKOSA-N 2 0 293.459 1.277 50 0 CDAARP CC(C)OC[C@@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527821 614026983 /nfs/dbraw/zinc/02/69/83/614026983.db2.gz FPZQCEHANOMZPS-LLVKDONJSA-N 2 0 258.406 1.410 50 0 CDAARP CC(C)(CN1CCOCC1)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000032553361 725230114 /nfs/dbraw/zinc/23/01/14/725230114.db2.gz VTBFXLWMELDWQV-HNNXBMFYSA-N 2 0 283.460 1.406 50 0 CDAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1cccc2nonc21 ZINC000952968997 725304708 /nfs/dbraw/zinc/30/47/08/725304708.db2.gz ORSXWQBFIPKFOP-UHFFFAOYSA-N 2 0 283.335 1.550 50 0 CDAARP CC[N@@H+]1CCC[C@](C)(C[NH+]2CCC[C@H](CO)C2)C1 ZINC000199296823 906391426 /nfs/dbraw/zinc/39/14/26/906391426.db2.gz XJCQVGGYQAVAFX-GJZGRUSLSA-N 2 0 254.418 1.813 50 0 CDAARP Cc1nnc(CN2CCCC3(CC[NH2+]CC3)C2)s1 ZINC000825296798 925862603 /nfs/dbraw/zinc/86/26/03/925862603.db2.gz TVQJCWHLMCURBS-UHFFFAOYSA-N 2 0 266.414 1.812 50 0 CDAARP C(CSC1=[NH+]CCCN1)CSC1=[NH+]CCCN1 ZINC000004599945 356038422 /nfs/dbraw/zinc/03/84/22/356038422.db2.gz WBNDSZVXLYJJMO-UHFFFAOYSA-N 2 0 272.443 1.542 50 0 CDAARP Cc1cccc([C@@H](CN2CC[NH+](CCO)CC2)[NH+](C)C)c1 ZINC000019742767 356499389 /nfs/dbraw/zinc/49/93/89/356499389.db2.gz PYXIKMUEGLBJKH-QGZVFWFLSA-N 2 0 291.439 1.208 50 0 CDAARP c1ccc(N2CC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000415074055 363569365 /nfs/dbraw/zinc/56/93/65/363569365.db2.gz BTZAFYNJKOKNKB-HNNXBMFYSA-N 2 0 259.397 1.855 50 0 CDAARP [NH3+]CCNCCOc1cccc(Br)c1 ZINC000020118293 358328344 /nfs/dbraw/zinc/32/83/44/358328344.db2.gz CCHBXIYCNQLGEQ-UHFFFAOYSA-N 2 0 259.147 1.376 50 0 CDAARP C[NH+](C)CCCCCNc1cc(C2CC([NH3+])C2)ncn1 ZINC000223238766 359409911 /nfs/dbraw/zinc/40/99/11/359409911.db2.gz KSDUCGUFZVXMGE-UHFFFAOYSA-N 2 0 277.416 1.825 50 0 CDAARP OC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299759301 200862542 /nfs/dbraw/zinc/86/25/42/200862542.db2.gz QBFZMPQMOFPJJO-HNNXBMFYSA-N 2 0 276.380 1.515 50 0 CDAARP CC(C)[NH2+]C[C@H](O)COc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000000196448 169571029 /nfs/dbraw/zinc/57/10/29/169571029.db2.gz ZSLHLIONVFHYSW-ZDUSSCGKSA-N 2 0 291.395 1.407 50 0 biogenic CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000299738735 285393326 /nfs/dbraw/zinc/39/33/26/285393326.db2.gz FSKGAAAPBIAASQ-AGIUHOORSA-N 2 0 255.406 1.031 50 0 CDAARP Cc1[nH+]c(N)nc(N2CC([NH+]3CCCCC3)C2)c1C ZINC000091503897 390889924 /nfs/dbraw/zinc/88/99/24/390889924.db2.gz GKSAVHZXHCUWDI-UHFFFAOYSA-N 2 0 261.373 1.350 50 0 CDAARP CO[C@@H]1COCC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000222375738 285788338 /nfs/dbraw/zinc/78/83/38/285788338.db2.gz BHTHSAHOHLYWEQ-HUUCEWRRSA-N 2 0 282.428 1.692 50 0 CDAARP CSCC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000952984558 617243899 /nfs/dbraw/zinc/24/38/99/617243899.db2.gz XTQFDNUBFYPEEJ-ZDUSSCGKSA-N 2 0 287.473 1.400 50 0 CDAARP CC1(C)CC([NH2+]CCc2ncc[nH]2)CC(C)(C)[NH2+]1 ZINC000822293574 1161928028 /nfs/dbraw/zinc/92/80/28/1161928028.db2.gz POIRYTYCFXWEOM-UHFFFAOYSA-N 2 0 250.390 1.851 50 0 CDAARP COc1ccccc1C1CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000077392995 728072174 /nfs/dbraw/zinc/07/21/74/728072174.db2.gz QCWCOLOTZYMSPY-QGZVFWFLSA-N 2 0 290.407 1.599 50 0 CDAARP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC1CC[NH+](CC(C)C)CC1 ZINC000824504755 925828592 /nfs/dbraw/zinc/82/85/92/925828592.db2.gz MIPCAXWMQJVAQE-IRXDYDNUSA-N 2 0 297.487 1.804 50 0 CDAARP Cc1c[nH+]ccc1N1CC[NH+](CCn2ccnc2)CC1 ZINC001506419159 975157291 /nfs/dbraw/zinc/15/72/91/975157291.db2.gz YXXSTKAPFJIFJZ-UHFFFAOYSA-N 2 0 271.368 1.409 50 0 CDAARP C[C@@H]1C[N@@H+](C2CCN(C[C@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000107532783 398152272 /nfs/dbraw/zinc/15/22/72/398152272.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 2 0 281.444 1.123 50 0 CDAARP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CC1)C1CCCC1 ZINC000252500640 361851097 /nfs/dbraw/zinc/85/10/97/361851097.db2.gz SZQHPWUGPYIAOH-OAHLLOKOSA-N 2 0 279.428 1.604 50 0 CDAARP [NH3+][C@H]1C[C@H](c2cc(NC3CC[NH2+]CC3)nc(C3CC3)n2)C1 ZINC000244708028 361859159 /nfs/dbraw/zinc/85/91/59/361859159.db2.gz KMGYWYHGMSCKOZ-HAQNSBGRSA-N 2 0 287.411 1.723 50 0 CDAARP [NH3+]C[C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000178581639 362247048 /nfs/dbraw/zinc/24/70/48/362247048.db2.gz XQXWUNKUCQUVFF-LBPRGKRZSA-N 2 0 270.336 1.293 50 0 CDAARP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000299738852 283060591 /nfs/dbraw/zinc/06/05/91/283060591.db2.gz HIFOSNHLGVMIIQ-MELADBBJSA-N 2 0 267.417 1.304 50 0 CDAARP C[C@H]([NH2+]Cc1cc(C[NH+]2CCCCC2)cs1)C(N)=O ZINC000032550946 356249941 /nfs/dbraw/zinc/24/99/41/356249941.db2.gz JWNXXJFDGZWYJA-NSHDSACASA-N 2 0 281.425 1.697 50 0 CDAARP Fc1cccc(CN2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000072456778 357837206 /nfs/dbraw/zinc/83/72/06/357837206.db2.gz NJTZOQCMGHOBMH-INIZCTEOSA-N 2 0 291.414 1.943 50 0 CDAARP Nc1nc(N[C@H]2Cc3ccccc3[C@@H]2[NH3+])c2c([nH+]1)CCCC2 ZINC000095359180 358684613 /nfs/dbraw/zinc/68/46/13/358684613.db2.gz IRZVAWKRTRRLBH-GJZGRUSLSA-N 2 0 295.390 1.974 50 0 CDAARP C[NH2+]CCCNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095370520 358687719 /nfs/dbraw/zinc/68/77/19/358687719.db2.gz UNCOASOWZJPZKB-HNNXBMFYSA-N 2 0 275.396 1.493 50 0 CDAARP C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1C[NH3+] ZINC000299739583 375200133 /nfs/dbraw/zinc/20/01/33/375200133.db2.gz QIBIWGANOSNCFI-YUELXQCFSA-N 2 0 275.396 1.662 50 0 CDAARP C[C@@]([NH3+])(C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000262884691 140433100 /nfs/dbraw/zinc/43/31/00/140433100.db2.gz NUDKONFMAFHWFY-SFHVURJKSA-N 2 0 295.386 1.780 50 0 CDAARP C[N@@H+]1CC[C@H]2C[NH+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179417 /nfs/dbraw/zinc/17/94/17/277179417.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 2 0 299.418 1.675 50 0 CDAARP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091392048 289370484 /nfs/dbraw/zinc/37/04/84/289370484.db2.gz KREYCRCOJQIIBC-GJZGRUSLSA-N 2 0 275.396 1.282 50 0 CDAARP [NH3+]CCOc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000183255874 730336957 /nfs/dbraw/zinc/33/69/57/730336957.db2.gz XLJYCUUQSMPEFW-CYBMUJFWSA-N 2 0 263.341 1.105 50 0 CDAARP Cc1cc(C)n(C[C@@H](C)[NH2+]CCNc2cc[nH+]cc2C)n1 ZINC000821508300 925586092 /nfs/dbraw/zinc/58/60/92/925586092.db2.gz ACJBYXDNNRPORH-CQSZACIVSA-N 2 0 287.411 1.715 50 0 CDAARP CC(C)C[N@H+](C1CN(C(=O)C(C)C)C1)C1CCN(C)CC1 ZINC000581799760 927199400 /nfs/dbraw/zinc/19/94/00/927199400.db2.gz WBVCUKPCMOCKSH-UHFFFAOYSA-N 2 0 295.471 1.905 50 0 CDAARP C[C@H](C[NH+]1CCCCCC1)N1CCC[N@H+](C)CC1 ZINC001506405625 975151804 /nfs/dbraw/zinc/15/18/04/975151804.db2.gz VSYVRPQTYKBJEK-OAHLLOKOSA-N 2 0 253.434 1.888 50 0 CDAARP C[N@@H+]1C[C@H](c2noc(C3CC3)n2)C2(C1)CC[NH+](C)CC2 ZINC000097940991 342158756 /nfs/dbraw/zinc/15/87/56/342158756.db2.gz AQEUXLNUTKKJPI-GFCCVEGCSA-N 2 0 276.384 1.688 50 0 CDAARP C[C@@H]1CC[C@@H](CO)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000097103394 342192070 /nfs/dbraw/zinc/19/20/70/342192070.db2.gz ZOCTYLFWRJDOBT-HUUCEWRRSA-N 2 0 254.418 1.955 50 0 CDAARP CC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000019201120 356476209 /nfs/dbraw/zinc/47/62/09/356476209.db2.gz YZULNEQSMUXOAX-AWEZNQCLSA-N 2 0 263.385 1.333 50 0 CDAARP Fc1cccc(CN2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000072456776 357836989 /nfs/dbraw/zinc/83/69/89/357836989.db2.gz NJTZOQCMGHOBMH-MRXNPFEDSA-N 2 0 291.414 1.943 50 0 CDAARP O[C@@]1(C[NH2+]CCCSCc2ccco2)CCC[NH2+]C1 ZINC000072479173 357839075 /nfs/dbraw/zinc/83/90/75/357839075.db2.gz WFUXDVYTHTXYFS-AWEZNQCLSA-N 2 0 284.425 1.607 50 0 CDAARP C[NH+]1CCN(C2(C[NH2+][C@@H]3CCSC3)CCCC2)CC1 ZINC000534577666 328310810 /nfs/dbraw/zinc/31/08/10/328310810.db2.gz FTLGSKUOURQABQ-CQSZACIVSA-N 2 0 283.485 1.642 50 0 CDAARP C[NH+]1CCN(CC2(C[NH2+][C@@H]3CCSC3)CC2)CC1 ZINC000534634243 328333176 /nfs/dbraw/zinc/33/31/76/328333176.db2.gz QXSQLVQIFHDZHI-CYBMUJFWSA-N 2 0 269.458 1.109 50 0 CDAARP CC(C)(CNCC[N@@H+]1CCCC[C@@H]1CO)C[NH+]1CCCC1 ZINC000952986400 614110596 /nfs/dbraw/zinc/11/05/96/614110596.db2.gz ZMYHCBSVBXQHDO-MRXNPFEDSA-N 2 0 297.487 1.545 50 0 CDAARP CC(C)C[N@@H+]1CC[C@@H](CNCc2ccc(CO)o2)C1 ZINC000952980198 614104059 /nfs/dbraw/zinc/10/40/59/614104059.db2.gz WKYXUNCNRAYTNK-ZDUSSCGKSA-N 2 0 266.385 1.839 50 0 CDAARP C([C@@H]1CO[C@H](C[NH+]2CCCCC2)CO1)[NH+]1CCCCC1 ZINC000005375637 356053792 /nfs/dbraw/zinc/05/37/92/356053792.db2.gz BEFJMYHUNJUINT-HZPDHXFCSA-N 2 0 282.428 1.742 50 0 CDAARP NC(=[NH2+])SCc1cccc(CSC(N)=[NH2+])c1 ZINC000003845292 356010687 /nfs/dbraw/zinc/01/06/87/356010687.db2.gz DIGHKECBEKWSOP-UHFFFAOYSA-N 2 0 254.384 1.940 50 0 CDAARP C[NH+]1CCC(NCC[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000020677807 356550123 /nfs/dbraw/zinc/55/01/23/356550123.db2.gz UYFKDHLLTNQXBN-CQSZACIVSA-N 2 0 269.433 1.217 50 0 CDAARP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000091391817 357601985 /nfs/dbraw/zinc/60/19/85/357601985.db2.gz HYDDFZUEMOQMGY-HUUCEWRRSA-N 2 0 275.396 1.109 50 0 CDAARP Cc1nc(CC[NH2+]C[C@]2(O)CCC[NH2+]C2)sc1C ZINC000072470225 360233326 /nfs/dbraw/zinc/23/33/26/360233326.db2.gz QNYLQNGJYMHZJY-ZDUSSCGKSA-N 2 0 269.414 1.007 50 0 CDAARP CCC[NH+]1CCN(C2CC[NH+](C[C@H](O)CC)CC2)CC1 ZINC000095404860 374907426 /nfs/dbraw/zinc/90/74/26/374907426.db2.gz WNQFFEXAKAOSOX-MRXNPFEDSA-N 2 0 283.460 1.249 50 0 CDAARP CSCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299739105 375200301 /nfs/dbraw/zinc/20/03/01/375200301.db2.gz KNADUFWHLQENDX-UTUOFQBUSA-N 2 0 273.446 1.008 50 0 CDAARP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246024281 376356962 /nfs/dbraw/zinc/35/69/62/376356962.db2.gz VIRCTFGXDBXASD-HZSPNIEDSA-N 2 0 299.484 1.541 50 0 CDAARP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000096491730 390527855 /nfs/dbraw/zinc/52/78/55/390527855.db2.gz VHRMETRVPBVNFD-GDBMZVCRSA-N 2 0 283.460 1.416 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000299738736 285393538 /nfs/dbraw/zinc/39/35/38/285393538.db2.gz FSKGAAAPBIAASQ-UPJWGTAASA-N 2 0 255.406 1.031 50 0 CDAARP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@H+](CC)C1)[C@@H]2O ZINC000250221051 391522487 /nfs/dbraw/zinc/52/24/87/391522487.db2.gz WKQPIKSIYRSCAO-QKDCVEJESA-N 2 0 254.418 1.859 50 0 CDAARP OC[C@@]12C[NH2+]C[C@@H]1CN(CCOc1ccc(Cl)cc1)C2 ZINC001772700513 1159436986 /nfs/dbraw/zinc/43/69/86/1159436986.db2.gz FXQWFGNVTUXTPC-DOMZBBRYSA-N 2 0 296.798 1.233 50 0 CDAARP C[C@](O)(C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000388826458 735202064 /nfs/dbraw/zinc/20/20/64/735202064.db2.gz WSQJXXIDWYWYTM-HNKHHVNMSA-N 2 0 260.381 1.563 50 0 CDAARP CCC[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039437996 735542554 /nfs/dbraw/zinc/54/25/54/735542554.db2.gz CNQXMKLWGIKOKQ-QGZVFWFLSA-N 2 0 297.487 1.638 50 0 CDAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1nc2ccccc2[nH]1 ZINC000952970318 734920329 /nfs/dbraw/zinc/92/03/29/734920329.db2.gz UJJVEGIGEUORHC-UHFFFAOYSA-N 2 0 281.363 1.890 50 0 CDAARP Cc1cc(N2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc(C)[nH+]1 ZINC000032553537 735081548 /nfs/dbraw/zinc/08/15/48/735081548.db2.gz VYDNAODBJUBDAG-UHFFFAOYSA-N 2 0 298.394 1.706 50 0 CDAARP Cc1cc(C)n(C[C@H](C)[N@@H+]2CCOC3(CC[NH2+]CC3)C2)n1 ZINC001506396356 975147923 /nfs/dbraw/zinc/14/79/23/975147923.db2.gz RXMRIVYIZWBZRK-HNNXBMFYSA-N 2 0 292.427 1.343 50 0 CDAARP [NH3+]C[C@@H]1CCN(Cc2cccn2-c2ncccn2)C1 ZINC000065410116 363119262 /nfs/dbraw/zinc/11/92/62/363119262.db2.gz YENQUYCKODTOPU-LBPRGKRZSA-N 2 0 257.341 1.048 50 0 CDAARP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414854164 363373814 /nfs/dbraw/zinc/37/38/14/363373814.db2.gz YQWGECMKUSYKCS-HNNXBMFYSA-N 2 0 259.397 1.997 50 0 CDAARP OC[C@H]1CCCCN1CC[NH2+]C1CCSCC1 ZINC000065501540 357546028 /nfs/dbraw/zinc/54/60/28/357546028.db2.gz DLTZMPCSLKCXJJ-CYBMUJFWSA-N 2 0 258.431 1.318 50 0 CDAARP C[C@@H](Cn1cncn1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067712699 357619802 /nfs/dbraw/zinc/61/98/02/357619802.db2.gz SAPRGHZDJHXNFI-ZDUSSCGKSA-N 2 0 277.416 1.569 50 0 CDAARP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738948 357701010 /nfs/dbraw/zinc/70/10/10/357701010.db2.gz ISYQZVAYSSWJKE-QWHCGFSZSA-N 2 0 253.390 1.058 50 0 CDAARP Oc1ccc(CCC[NH2+]C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072469680 357837739 /nfs/dbraw/zinc/83/77/39/357837739.db2.gz XYDCEEYYWJUCOE-OAHLLOKOSA-N 2 0 264.369 1.029 50 0 CDAARP O=C([C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)N1CCSCC1 ZINC000252509748 296019158 /nfs/dbraw/zinc/01/91/58/296019158.db2.gz YUUIEZRCQDSMRA-AWEZNQCLSA-N 2 0 297.468 1.026 50 0 CDAARP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC1 ZINC000097237595 375159052 /nfs/dbraw/zinc/15/90/52/375159052.db2.gz MRGQRPMHIAQTRD-IAGOWNOFSA-N 2 0 290.407 1.522 50 0 CDAARP C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481051 390629062 /nfs/dbraw/zinc/62/90/62/390629062.db2.gz MXDONCQUSGRAHX-KRWDZBQOSA-N 2 0 291.439 1.076 50 0 CDAARP Cc1cc(N2CCC[N@H+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000072161138 176329896 /nfs/dbraw/zinc/32/98/96/176329896.db2.gz ZUPAMLROIQTGSE-HNNXBMFYSA-N 2 0 275.396 1.939 50 0 CDAARP CC(C)C[NH+]1CCC(NC2CC[NH+](C)CC2)CC1 ZINC000084544262 277386080 /nfs/dbraw/zinc/38/60/80/277386080.db2.gz RSRUBCQPXLZSNE-UHFFFAOYSA-N 2 0 253.434 1.791 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)c1ccc(CC[NH3+])cc1 ZINC000534675429 328356044 /nfs/dbraw/zinc/35/60/44/328356044.db2.gz MYYUESHLWNUDIL-UHFFFAOYSA-N 2 0 298.390 1.155 50 0 CDAARP Cc1[nH+]c2ccccc2c(N2CC[NH+](CCO)CC2)c1C ZINC000097085893 567904125 /nfs/dbraw/zinc/90/41/25/567904125.db2.gz ZPQVPOMVPYOCDK-UHFFFAOYSA-N 2 0 285.391 1.966 50 0 CDAARP CC(C)C[N@@H+]1CCCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000952986911 614090847 /nfs/dbraw/zinc/09/08/47/614090847.db2.gz BQFCVHRHQIBXNL-FICVDOATSA-N 2 0 251.418 1.116 50 0 CDAARP OC[C@@]12C[NH2+]C[C@H]1C[N@H+](CCCOCc1ccccc1)C2 ZINC001772706944 1159441273 /nfs/dbraw/zinc/44/12/73/1159441273.db2.gz VLRRZJFNQUNBEF-IRXDYDNUSA-N 2 0 290.407 1.107 50 0 CDAARP CC[NH+]1CCC(C[NH2+][C@H]2CCCOC2)(N(C)C)CC1 ZINC000823107365 925673049 /nfs/dbraw/zinc/67/30/49/925673049.db2.gz HUUYKUORYDAKIB-AWEZNQCLSA-N 2 0 269.433 1.171 50 0 CDAARP C[NH+](C)CC(C)(C)NC(=O)CSCC[NH+]1CCCC1 ZINC000823683192 925720813 /nfs/dbraw/zinc/72/08/13/925720813.db2.gz MPTPTLPKRPZPTM-UHFFFAOYSA-N 2 0 287.473 1.272 50 0 CDAARP C[NH+](C)C1(CNC(=O)[C@]2(C)CC[N@H+](C)C2)CCCCC1 ZINC000823754933 925724574 /nfs/dbraw/zinc/72/45/74/925724574.db2.gz FNOHJTLPSUEXGZ-OAHLLOKOSA-N 2 0 281.444 1.709 50 0 CDAARP C[C@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000095404174 539088044 /nfs/dbraw/zinc/08/80/44/539088044.db2.gz YQXMSUPDGINDGU-HZPDHXFCSA-N 2 0 293.455 1.948 50 0 CDAARP C[NH+]1CCC(C)(C[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000585118268 362047882 /nfs/dbraw/zinc/04/78/82/362047882.db2.gz IOWFEFCQQQZBEW-UHFFFAOYSA-N 2 0 291.395 1.674 50 0 CDAARP C[NH+](C)CC(=O)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000585124091 362054168 /nfs/dbraw/zinc/05/41/68/362054168.db2.gz PUMLVGRODNZUKC-ZDUSSCGKSA-N 2 0 276.315 1.316 50 0 CDAARP C[NH+](C)C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1CO ZINC000092098225 180324897 /nfs/dbraw/zinc/32/48/97/180324897.db2.gz LYDLOYHJAWETSC-IAGOWNOFSA-N 2 0 276.424 1.721 50 0 CDAARP COc1ccc([C@@H](C[NH3+])N2CCCC2)cc1OC ZINC000032495124 356780473 /nfs/dbraw/zinc/78/04/73/356780473.db2.gz WQYZFTUTVPPVGV-GFCCVEGCSA-N 2 0 250.342 1.799 50 0 CDAARP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036135343 356862129 /nfs/dbraw/zinc/86/21/29/356862129.db2.gz HHSHRDJOGQTWNB-BPUTZDHNSA-N 2 0 293.455 1.850 50 0 CDAARP C[C@@H](c1cnn(C)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000097051513 357934781 /nfs/dbraw/zinc/93/47/81/357934781.db2.gz XACSSFXCYYVWGR-AWEZNQCLSA-N 2 0 279.432 1.050 50 0 CDAARP CN1CCC[N@@H+]([C@H]2CCSC2)CC12CC[NH2+]CC2 ZINC000426701770 360697400 /nfs/dbraw/zinc/69/74/00/360697400.db2.gz XWTTXPXOHIXGRA-ZDUSSCGKSA-N 2 0 269.458 1.252 50 0 CDAARP C[C@H](C1CC1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000089894159 366960189 /nfs/dbraw/zinc/96/01/89/366960189.db2.gz YBBNEOTZKKWECS-GFCCVEGCSA-N 2 0 279.428 1.460 50 0 CDAARP [NH3+]C[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000299796695 372769496 /nfs/dbraw/zinc/76/94/96/372769496.db2.gz NNRDPAMZOBUCSF-AWEZNQCLSA-N 2 0 261.369 1.554 50 0 CDAARP COCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087484 374181343 /nfs/dbraw/zinc/18/13/43/374181343.db2.gz SFVCETGHVGKLBL-UHFFFAOYSA-N 2 0 291.439 1.382 50 0 CDAARP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003846 391483061 /nfs/dbraw/zinc/48/30/61/391483061.db2.gz YFABSRYVUCTVHL-FRRDWIJNSA-N 2 0 253.390 1.199 50 0 CDAARP c1ccc(C[NH+]2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000022455763 171388482 /nfs/dbraw/zinc/38/84/82/171388482.db2.gz JYORXOOKHTUITD-GOSISDBHSA-N 2 0 285.435 1.898 50 0 CDAARP CC(C)(C)OC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]C1 ZINC000090411770 277207208 /nfs/dbraw/zinc/20/72/08/277207208.db2.gz LBZJQOBUIXWLIZ-NSHDSACASA-N 2 0 254.374 1.450 50 0 CDAARP [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000888097861 617761247 /nfs/dbraw/zinc/76/12/47/617761247.db2.gz QWPDFWQCZSPPQA-JHJVBQTASA-N 2 0 273.380 1.593 50 0 CDAARP [NH3+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000888097864 617761428 /nfs/dbraw/zinc/76/14/28/617761428.db2.gz QWPDFWQCZSPPQA-YNEHKIRRSA-N 2 0 273.380 1.593 50 0 CDAARP CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC[NH+](C)CC1 ZINC000822718135 925647184 /nfs/dbraw/zinc/64/71/84/925647184.db2.gz OZDCEQMPELCORB-OAHLLOKOSA-N 2 0 281.444 1.709 50 0 CDAARP O=C([C@H]1CCC[NH2+]CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000827763367 925966669 /nfs/dbraw/zinc/96/66/69/925966669.db2.gz XZBSDEKQDZSETJ-AWEZNQCLSA-N 2 0 279.428 1.463 50 0 CDAARP C[C@H](C[N@H+](C)CCO)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428244 975162180 /nfs/dbraw/zinc/16/21/80/975162180.db2.gz YOUWQRQYCJJPOD-GFCCVEGCSA-N 2 0 271.449 1.198 50 0 CDAARP CCc1nccn1CCC(=O)N1CCc2[nH]c(C)nc2C1 ZINC000584902792 341986907 /nfs/dbraw/zinc/98/69/07/341986907.db2.gz WVDYVOMEMQQTGI-UHFFFAOYSA-N 2 0 287.367 1.452 50 0 CDAARP Cc1ccnn1CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000244795165 361863708 /nfs/dbraw/zinc/86/37/08/361863708.db2.gz RATBPGJHDNHATC-CQSZACIVSA-N 2 0 250.390 1.608 50 0 CDAARP Nc1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)ccn1 ZINC000191503834 362446682 /nfs/dbraw/zinc/44/66/82/362446682.db2.gz FRFFJKRRBRAYIO-AWEZNQCLSA-N 2 0 283.379 1.993 50 0 CDAARP COCCC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000091441418 180156853 /nfs/dbraw/zinc/15/68/53/180156853.db2.gz TUGAMXWRYFILPP-GFCCVEGCSA-N 2 0 279.388 1.138 50 0 CDAARP CC[NH+](CC)CCOc1cc(C[NH3+])ccc1OC ZINC000011993022 356285884 /nfs/dbraw/zinc/28/58/84/356285884.db2.gz OZTOBRLAZZWDDQ-UHFFFAOYSA-N 2 0 252.358 1.875 50 0 CDAARP c1ccc(C[NH+]2CCN(C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000020072371 356525244 /nfs/dbraw/zinc/52/52/44/356525244.db2.gz UHYRMPACUMZTCQ-QGZVFWFLSA-N 2 0 273.424 1.946 50 0 CDAARP O[C@@H]1CCC[N@H+](CCC[NH2+]C2CSCCSC2)C1 ZINC000067472677 357610475 /nfs/dbraw/zinc/61/04/75/357610475.db2.gz SHWFGPSZQKCBHU-CYBMUJFWSA-N 2 0 290.498 1.271 50 0 CDAARP O[C@H]1CCC[N@H+](CCC[NH2+]C2CSCCSC2)C1 ZINC000067472676 357610594 /nfs/dbraw/zinc/61/05/94/357610594.db2.gz SHWFGPSZQKCBHU-ZDUSSCGKSA-N 2 0 290.498 1.271 50 0 CDAARP O[C@]1(C[NH2+]CCc2ccccc2Cl)CC[NH2+]C1 ZINC000072432862 357985887 /nfs/dbraw/zinc/98/58/87/357985887.db2.gz ZZTRSTIVNSOMIJ-ZDUSSCGKSA-N 2 0 254.761 1.197 50 0 CDAARP CC[N@@H+]1CC[C@@H](N(C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566453 /nfs/dbraw/zinc/56/64/53/358566453.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 2 0 271.405 1.347 50 0 CDAARP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC000097732739 358795751 /nfs/dbraw/zinc/79/57/51/358795751.db2.gz ZMRCWMWGRPVXBI-MRXNPFEDSA-N 3 0 291.439 1.940 50 0 CDAARP CC(C)C(=O)N1CCC([N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)CC1 ZINC000426493101 360676179 /nfs/dbraw/zinc/67/61/79/360676179.db2.gz WQLOGTMSKBEGAF-HIFRSBDPSA-N 2 0 279.428 1.317 50 0 CDAARP Cc1ccc([C@@H](CNC(=O)CC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000095348541 360924747 /nfs/dbraw/zinc/92/47/47/360924747.db2.gz GCBZCDYGEMDNLA-CQSZACIVSA-N 2 0 293.411 1.793 50 0 CDAARP C[N@H+](CCCC[NH+]1CCOCC1)Cc1ccoc1 ZINC000215115803 390987322 /nfs/dbraw/zinc/98/73/22/390987322.db2.gz JIHBXTSUGSNQRE-UHFFFAOYSA-N 2 0 252.358 1.824 50 0 CDAARP CC(C)C[NH+]1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000095421803 277386094 /nfs/dbraw/zinc/38/60/94/277386094.db2.gz XEOXCHFUFVSRCQ-UHFFFAOYSA-N 2 0 270.417 1.238 50 0 CDAARP O=C1CCCN1CC[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000534667034 328345609 /nfs/dbraw/zinc/34/56/09/328345609.db2.gz ZQFMGIYZWCYXEM-UHFFFAOYSA-N 2 0 279.428 1.465 50 0 CDAARP [NH3+][C@@H](CC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188650515 527329063 /nfs/dbraw/zinc/32/90/63/527329063.db2.gz KBSRYAOPMIXBHA-KRWDZBQOSA-N 2 0 295.386 1.996 50 0 CDAARP C[NH+](C)C1(CNC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000132002255 1175788680 /nfs/dbraw/zinc/78/86/80/1175788680.db2.gz LRODWBUXCRMVJW-CQSZACIVSA-N 2 0 253.434 1.840 50 0 CDAARP c1c(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nn2c1C[NH2+]CCC2 ZINC000072156679 745363417 /nfs/dbraw/zinc/36/34/17/745363417.db2.gz MJZXMDIEYOKELN-OKILXGFUSA-N 2 0 272.396 1.774 50 0 CDAARP COCC[N@@H+]1CCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000824413119 925821002 /nfs/dbraw/zinc/82/10/02/925821002.db2.gz CYFISLWRHBGWDA-ZDUSSCGKSA-N 2 0 256.390 1.113 50 0 CDAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000828605333 926148049 /nfs/dbraw/zinc/14/80/49/926148049.db2.gz JGHDERYAFLIZPJ-CYBMUJFWSA-N 2 0 270.442 1.415 50 0 CDAARP Cc1ccccc1OC1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC000244633523 361855499 /nfs/dbraw/zinc/85/54/99/361855499.db2.gz GEKIUNZJHQDKRI-AWEZNQCLSA-N 2 0 291.395 1.041 50 0 CDAARP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000639757354 364782081 /nfs/dbraw/zinc/78/20/81/364782081.db2.gz GUXNZELQYHQUIC-CQSZACIVSA-N 2 0 252.402 1.973 50 0 CDAARP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000299738704 375199789 /nfs/dbraw/zinc/19/97/89/375199789.db2.gz FLAVWGBEFKOFTB-FRRDWIJNSA-N 2 0 253.390 1.057 50 0 CDAARP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000299750900 375209018 /nfs/dbraw/zinc/20/90/18/375209018.db2.gz ORQWIPGFNICWQT-BPLDGKMQSA-N 2 0 275.396 1.628 50 0 CDAARP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433978 184983469 /nfs/dbraw/zinc/98/34/69/184983469.db2.gz QJSOXSHNSHSUPT-LSDHHAIUSA-N 2 0 279.428 1.520 50 0 CDAARP CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC000178408060 391745840 /nfs/dbraw/zinc/74/58/40/391745840.db2.gz ZCYLURJTCMLMHN-AWEZNQCLSA-N 2 0 261.369 1.359 50 0 CDAARP Cc1[nH+]c(N(C)C)nc(NCC[N@@H+]2CCC[C@H](O)C2)c1C ZINC000032593202 749725582 /nfs/dbraw/zinc/72/55/82/749725582.db2.gz LPDWKQNCMXNUQY-ZDUSSCGKSA-N 2 0 293.415 1.028 50 0 CDAARP Cc1nnc([C@@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)[nH]1 ZINC000952974954 910518704 /nfs/dbraw/zinc/51/87/04/910518704.db2.gz GGRDOWHNBNSWSB-LLVKDONJSA-N 2 0 265.405 1.884 50 0 CDAARP Cc1nncn1CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690235 925722644 /nfs/dbraw/zinc/72/26/44/925722644.db2.gz RRXCHIUDHABVQW-ZDUSSCGKSA-N 2 0 265.405 1.249 50 0 CDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CCN(c3ccccc3)C1)C2 ZINC001506400442 975149211 /nfs/dbraw/zinc/14/92/11/975149211.db2.gz VGXKAHZYEKFHFU-HDEZJCGLSA-N 2 0 271.408 1.934 50 0 CDAARP Cn1ccnc1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001506409948 975152883 /nfs/dbraw/zinc/15/28/83/975152883.db2.gz AYJFHQFURBUIPB-UHFFFAOYSA-N 2 0 262.401 1.380 50 0 CDAARP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000585089118 539103262 /nfs/dbraw/zinc/10/32/62/539103262.db2.gz HNITUVLJZPVICJ-KGLIPLIRSA-N 2 0 267.417 1.304 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000263284576 362566476 /nfs/dbraw/zinc/56/64/76/362566476.db2.gz TZLRTSGBDOAQIH-PMPSAXMXSA-N 2 0 293.455 1.709 50 0 CDAARP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000299739484 356269892 /nfs/dbraw/zinc/26/98/92/356269892.db2.gz OXUJBQKWCJCSCJ-KFWWJZLASA-N 2 0 279.428 1.591 50 0 CDAARP C[C@@H]1CNC(=O)CC[N@@H+]1C1CCN(Cc2ccco2)CC1 ZINC000065419878 357540584 /nfs/dbraw/zinc/54/05/84/357540584.db2.gz CQJPTYJANHPWLY-CYBMUJFWSA-N 2 0 291.395 1.454 50 0 CDAARP [NH3+]CCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000066323403 357562134 /nfs/dbraw/zinc/56/21/34/357562134.db2.gz SRAHAKLADOCBPU-UHFFFAOYSA-N 2 0 291.395 1.726 50 0 CDAARP c1nc2c(c(NCC[NH+]3CCCCCC3)n1)CC[NH2+]CC2 ZINC000072422704 357833492 /nfs/dbraw/zinc/83/34/92/357833492.db2.gz UJLUXFPFOFDMBX-UHFFFAOYSA-N 2 0 289.427 1.453 50 0 CDAARP COCC[NH+]1CCC(C[NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC000089522827 360150693 /nfs/dbraw/zinc/15/06/93/360150693.db2.gz NNXKXVASXDULPU-UHFFFAOYSA-N 2 0 280.416 1.475 50 0 CDAARP C[C@@H](CC1CC1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000095421924 374923529 /nfs/dbraw/zinc/92/35/29/374923529.db2.gz CCLGRLOVKWIEQL-AWEZNQCLSA-N 2 0 253.434 1.792 50 0 CDAARP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000299739967 296375133 /nfs/dbraw/zinc/37/51/33/296375133.db2.gz UGMYLEPVWSKQPS-FVCCEPFGSA-N 2 0 253.390 1.090 50 0 CDAARP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000269266386 132146691 /nfs/dbraw/zinc/14/66/91/132146691.db2.gz PKOMXYJDQCCKOO-XNRPHZJLSA-N 2 0 287.407 1.298 50 0 CDAARP CCOC(=O)c1c(C)[nH+]c(C)cc1NCC[NH+](C)C ZINC000005033754 170058536 /nfs/dbraw/zinc/05/85/36/170058536.db2.gz PDKUZVXCYIGXIC-UHFFFAOYSA-N 2 0 265.357 1.849 50 0 CDAARP Cc1cccc(CSCCC[NH2+]C[C@]2(O)CC[NH2+]C2)c1 ZINC000077318858 177251882 /nfs/dbraw/zinc/25/18/82/177251882.db2.gz XIGCAFMYAUOIGE-MRXNPFEDSA-N 2 0 294.464 1.932 50 0 CDAARP COCC[N@@H+]1CCCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC001704355520 1161395173 /nfs/dbraw/zinc/39/51/73/1161395173.db2.gz PDDVMJDSSXYMPV-UHFFFAOYSA-N 2 0 297.443 1.043 50 0 CDAARP CC(C)(CNCC[N@@H+]1CCCC[C@H]1CO)C[NH+]1CCCC1 ZINC000952986389 614110669 /nfs/dbraw/zinc/11/06/69/614110669.db2.gz ZMYHCBSVBXQHDO-INIZCTEOSA-N 2 0 297.487 1.545 50 0 CDAARP C[N@@H+]1CCCCC[C@H]1C(=O)NC1(C[NH+]2CCCCC2)CC1 ZINC000952964888 616178114 /nfs/dbraw/zinc/17/81/14/616178114.db2.gz AMRXQLCNGCZFLA-HNNXBMFYSA-N 2 0 293.455 1.996 50 0 CDAARP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CCN1Cc1ccccc1 ZINC000585116791 930969562 /nfs/dbraw/zinc/96/95/62/930969562.db2.gz IMUABNCEBOZPJN-XIRDDKMYSA-N 2 0 292.423 1.325 50 0 CDAARP CCNC(=O)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065542374 361913448 /nfs/dbraw/zinc/91/34/48/361913448.db2.gz BZVMTIHHIKSTAA-ZDUSSCGKSA-N 2 0 276.384 1.342 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH3+])o2)[C@H](C)C1 ZINC000643613036 356920841 /nfs/dbraw/zinc/92/08/41/356920841.db2.gz ZBDFHYKUTWZEFQ-YPMHNXCESA-N 2 0 279.384 1.541 50 0 CDAARP Oc1ccc(CCC[NH2+]C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072469683 357837563 /nfs/dbraw/zinc/83/75/63/357837563.db2.gz XYDCEEYYWJUCOE-HNNXBMFYSA-N 2 0 264.369 1.029 50 0 CDAARP CCc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc(N2CCCC2)[nH+]1 ZINC000082114871 358147997 /nfs/dbraw/zinc/14/79/97/358147997.db2.gz ZNDGODKBUVAZCZ-AAEUAGOBSA-N 2 0 293.390 1.751 50 0 CDAARP CN1CCO[C@@H](CNc2nccc3ccccc32)C1 ZINC000168702951 359401052 /nfs/dbraw/zinc/40/10/52/359401052.db2.gz LGLRXOPKPZQPTI-ZDUSSCGKSA-N 2 0 257.337 1.977 50 0 CDAARP CC[N@H+]1CCc2nnc([C@H]3CC[NH+](CC(C)C)C3)n2CC1 ZINC000257189244 359533649 /nfs/dbraw/zinc/53/36/49/359533649.db2.gz HXXBXHLAHRNZLY-AWEZNQCLSA-N 2 0 291.443 1.601 50 0 CDAARP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000186732312 391530739 /nfs/dbraw/zinc/53/07/39/391530739.db2.gz BANOFBWPLRHXGW-UHFFFAOYSA-N 2 0 281.444 1.659 50 0 CDAARP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000269266384 132146906 /nfs/dbraw/zinc/14/69/06/132146906.db2.gz PKOMXYJDQCCKOO-IVMMDQJWSA-N 2 0 287.407 1.298 50 0 CDAARP C[C@@H](C1CC[NH+](Cc2cccnc2N)CC1)[NH+](C)C ZINC000077390741 177262226 /nfs/dbraw/zinc/26/22/26/177262226.db2.gz VPSUNOLKFNUUEK-LBPRGKRZSA-N 2 0 262.401 1.826 50 0 CDAARP CN(CC[N@H+](C)C1CCCC1)c1nnc(C(C)(C)[NH3+])o1 ZINC001772707447 1159441553 /nfs/dbraw/zinc/44/15/53/1159441553.db2.gz STZZDVMUCDFGOD-UHFFFAOYSA-N 2 0 281.404 1.574 50 0 CDAARP [NH3+]C[C@@H]1C[NH2+]C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757218609 574909552 /nfs/dbraw/zinc/90/95/52/574909552.db2.gz VHILDOGCIBXCCO-DBIOUOCHSA-N 2 0 265.323 1.101 50 0 CDAARP C[NH2+]Cc1cn(C2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000023506651 768994169 /nfs/dbraw/zinc/99/41/69/768994169.db2.gz VDKZJYAXLRAZCD-UHFFFAOYSA-N 2 0 291.424 1.896 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000095967234 185047001 /nfs/dbraw/zinc/04/70/01/185047001.db2.gz UQFKKWPTQOXWER-MGPQQGTHSA-N 2 0 250.390 1.592 50 0 CDAARP Cc1ccn(CC[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000243902131 361830582 /nfs/dbraw/zinc/83/05/82/361830582.db2.gz BGLIWQJISPKUNE-UHFFFAOYSA-N 2 0 285.395 1.717 50 0 CDAARP O=C(CCC[NH+]1CCCC1)N1CC[NH+](CC2CCC2)CC1 ZINC000584894086 349354347 /nfs/dbraw/zinc/35/43/47/349354347.db2.gz OXYHFVKVGUUMSH-UHFFFAOYSA-N 2 0 293.455 1.807 50 0 CDAARP CCc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091305176 180131220 /nfs/dbraw/zinc/13/12/20/180131220.db2.gz MECCPLMRWKVNRY-IAGOWNOFSA-N 2 0 276.424 1.851 50 0 CDAARP CCOC(=O)N1CCC[C@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000040457336 357000656 /nfs/dbraw/zinc/00/06/56/357000656.db2.gz IOHZAHYPOHFUCU-GFCCVEGCSA-N 2 0 269.389 1.278 50 0 CDAARP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097745222 358796687 /nfs/dbraw/zinc/79/66/87/358796687.db2.gz BFXOEGPCYXSQGC-CQSZACIVSA-N 2 0 292.427 1.211 50 0 CDAARP Cc1cc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)on1 ZINC000216485014 358947317 /nfs/dbraw/zinc/94/73/17/358947317.db2.gz YZZPVHDPRPTJCS-HNNXBMFYSA-N 2 0 292.427 1.442 50 0 CDAARP C[C@@H](CCn1cccn1)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426479097 360674487 /nfs/dbraw/zinc/67/44/87/360674487.db2.gz YYEDJCQGLOUMQK-AWEZNQCLSA-N 2 0 278.400 1.116 50 0 CDAARP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C)(CO)CC2)CC1 ZINC000192798940 363995336 /nfs/dbraw/zinc/99/53/36/363995336.db2.gz CDMWAAKLVOYOCV-UHFFFAOYSA-N 2 0 297.487 1.497 50 0 CDAARP CN1CCC([N@H+](C)C[C@@H](O)COCc2cccs2)CC1 ZINC000003242445 375598603 /nfs/dbraw/zinc/59/86/03/375598603.db2.gz VQPWLQYSSFVPLU-CQSZACIVSA-N 2 0 298.452 1.652 50 0 CDAARP CCc1nn(C)c(CC)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000095440119 184986109 /nfs/dbraw/zinc/98/61/09/184986109.db2.gz BBTMZCMMYMFNDK-UHFFFAOYSA-N 2 0 294.443 1.091 50 0 CDAARP C[C@@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662560370 413127563 /nfs/dbraw/zinc/12/75/63/413127563.db2.gz IQPFCGSQVKUIPK-AWEZNQCLSA-N 2 0 279.409 1.205 50 0 CDAARP C(C[NH+]1CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096455418 527481920 /nfs/dbraw/zinc/48/19/20/527481920.db2.gz RGIJKQAVPNXBET-MRXNPFEDSA-N 2 0 281.444 1.126 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)C[N@H+]1CCCC[C@H]1C ZINC000020255292 776964002 /nfs/dbraw/zinc/96/40/02/776964002.db2.gz KITJBJWMFSVESH-CQSZACIVSA-N 2 0 290.411 1.793 50 0 CDAARP COc1ccc(C[C@H](C[NH3+])CO)cc1-c1c[nH+]ccc1N ZINC000952848530 910405179 /nfs/dbraw/zinc/40/51/79/910405179.db2.gz HDJUGUPZAKFVQV-GFCCVEGCSA-N 2 0 287.363 1.279 50 0 CDAARP O=C(c1ccccn1)[C@H]1CCC[N@H+](CCc2ncc[nH]2)C1 ZINC001529192000 969010638 /nfs/dbraw/zinc/01/06/38/969010638.db2.gz MTPZBCIMBNFWAJ-ZDUSSCGKSA-N 2 0 284.363 1.942 50 0 CDAARP Cc1cnc(CN2CCC(O)(C[NH+]3CCCC3)CC2)cn1 ZINC001506420803 975158022 /nfs/dbraw/zinc/15/80/22/975158022.db2.gz KMCHJCGHEMLGNX-UHFFFAOYSA-N 2 0 290.411 1.208 50 0 CDAARP CC(C)[N@@H+]1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000095996131 539088269 /nfs/dbraw/zinc/08/82/69/539088269.db2.gz SJLWCXCJDQATFR-AWEZNQCLSA-N 2 0 253.390 1.057 50 0 CDAARP C[NH+](C)CCC[NH+]=C1NC=N[C@H]2C=C(Cl)C=C[C@H]12 ZINC000004085122 356018093 /nfs/dbraw/zinc/01/80/93/356018093.db2.gz IHVLCFGXWABDPI-RYUDHWBXSA-N 2 0 266.776 1.645 50 0 CDAARP COC[C@@H](C)[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012053098 356286625 /nfs/dbraw/zinc/28/66/25/356286625.db2.gz QSMLXBKGGVTXMS-CQSZACIVSA-N 2 0 299.459 1.191 50 0 CDAARP Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000065372364 357532026 /nfs/dbraw/zinc/53/20/26/357532026.db2.gz ZMTPFEINAPWHHW-GFCCVEGCSA-N 2 0 277.416 1.993 50 0 CDAARP CCc1[nH+]c(N)nc(N2CC[NH+](CCCOC)CC2)c1C ZINC000095376388 358689623 /nfs/dbraw/zinc/68/96/23/358689623.db2.gz KJXMCUIMLQFUHC-UHFFFAOYSA-N 2 0 293.415 1.088 50 0 CDAARP CSCC[NH+]1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000215995131 358914958 /nfs/dbraw/zinc/91/49/58/358914958.db2.gz SQYJWDUKPIIUPH-UHFFFAOYSA-N 2 0 293.480 1.668 50 0 CDAARP Cc1nc(C(F)(F)F)ncc1CN1CCC[C@H](C[NH3+])C1 ZINC000426615124 360690187 /nfs/dbraw/zinc/69/01/87/360690187.db2.gz JZYHPZQYAASOFG-SNVBAGLBSA-N 2 0 288.317 1.975 50 0 CDAARP CN1CCC[N@H+](CC2(C)CCOCC2)CC12CC[NH2+]CC2 ZINC000426693659 360696584 /nfs/dbraw/zinc/69/65/84/360696584.db2.gz FGCFCNSXHQARGH-UHFFFAOYSA-N 2 0 295.471 1.563 50 0 CDAARP Cc1ccc([C@H](CNC(=O)CC[NH+](C)C)[NH+]2CCCC2)o1 ZINC000095348542 360927455 /nfs/dbraw/zinc/92/74/55/360927455.db2.gz GCBZCDYGEMDNLA-AWEZNQCLSA-N 2 0 293.411 1.793 50 0 CDAARP CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000127699884 367266814 /nfs/dbraw/zinc/26/68/14/367266814.db2.gz IBEGMCWPUDBZRN-LLVKDONJSA-N 2 0 262.357 1.220 50 0 CDAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000037644197 369504634 /nfs/dbraw/zinc/50/46/34/369504634.db2.gz SMDDEGILIDQYQJ-CYBMUJFWSA-N 2 0 285.391 1.960 50 0 CDAARP C[C@H](C[NH3+])Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000299784135 372760063 /nfs/dbraw/zinc/76/00/63/372760063.db2.gz ZDKDQMKYAPTKIZ-GFCCVEGCSA-N 2 0 266.410 1.961 50 0 CDAARP C[C@@H](C[N@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1)N1CCOCC1 ZINC000244887823 377798885 /nfs/dbraw/zinc/79/88/85/377798885.db2.gz YPDCGROXAXZILZ-SOUVJXGZSA-N 2 0 269.433 1.156 50 0 CDAARP C1C[C@H]2C[NH2+]CC[C@@H]1[N@@H+]2C1CSCCSC1 ZINC000065493500 390551221 /nfs/dbraw/zinc/55/12/21/390551221.db2.gz WBQMVARBQOJTJS-MNOVXSKESA-N 2 0 258.456 1.661 50 0 CDAARP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccncc1 ZINC000097048508 390659931 /nfs/dbraw/zinc/65/99/31/390659931.db2.gz BYOOOXGLEQGLLD-UHFFFAOYSA-N 2 0 262.401 1.151 50 0 CDAARP C[NH+]1CCC(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000037786308 392619730 /nfs/dbraw/zinc/61/97/30/392619730.db2.gz NPOCGLZOKUPYTA-UHFFFAOYSA-N 2 0 253.434 1.933 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000299745197 287273588 /nfs/dbraw/zinc/27/35/88/287273588.db2.gz WMBXMTMCVVIIKV-HUUCEWRRSA-N 2 0 293.455 1.851 50 0 CDAARP C[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000095404173 539088009 /nfs/dbraw/zinc/08/80/09/539088009.db2.gz YQXMSUPDGINDGU-JKSUJKDBSA-N 2 0 293.455 1.948 50 0 CDAARP Cc1cc(N2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)cc(C)[nH+]1 ZINC000095389139 136516537 /nfs/dbraw/zinc/51/65/37/136516537.db2.gz FIZQFDPTSKOEBH-ZFWWWQNUSA-N 2 0 261.369 1.249 50 0 CDAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000584894935 349355048 /nfs/dbraw/zinc/35/50/48/349355048.db2.gz BSCUKTYGNPOYNP-OAHLLOKOSA-N 2 0 297.443 1.040 50 0 CDAARP Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000092064774 180316262 /nfs/dbraw/zinc/31/62/62/180316262.db2.gz OKCBWPKXMHDXPT-HZPDHXFCSA-N 2 0 262.397 1.597 50 0 CDAARP NC(=[NH2+])NC(=[NH2+])Nc1ccc(SC(F)F)cc1 ZINC000000351509 355905970 /nfs/dbraw/zinc/90/59/70/355905970.db2.gz NNRYQGAPLRIMKL-UHFFFAOYSA-N 2 0 259.285 1.831 50 0 CDAARP OC[C@@H]1CCCCN1CC[NH2+]C1CCSCC1 ZINC000065501535 357545977 /nfs/dbraw/zinc/54/59/77/357545977.db2.gz DLTZMPCSLKCXJJ-ZDUSSCGKSA-N 2 0 258.431 1.318 50 0 CDAARP Cc1nc(C(F)(F)F)ncc1C[NH+]1CCC(C[NH3+])CC1 ZINC000426667607 360694725 /nfs/dbraw/zinc/69/47/25/360694725.db2.gz QFSDBTUXPMRKFR-UHFFFAOYSA-N 2 0 288.317 1.975 50 0 CDAARP OC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299801724 372773398 /nfs/dbraw/zinc/77/33/98/372773398.db2.gz YMTFPDFZSOIGFC-AWEZNQCLSA-N 2 0 276.380 1.373 50 0 CDAARP C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000299739349 375200008 /nfs/dbraw/zinc/20/00/08/375200008.db2.gz NNGBRDKTYSUVSJ-UMVBOHGHSA-N 2 0 275.396 1.675 50 0 CDAARP [NH2+]=C1NC(=[NH2+])N(c2ccccc2)[C@H](c2ccccc2)N1 ZINC000017039325 390221389 /nfs/dbraw/zinc/22/13/89/390221389.db2.gz GWOLNTNSXCWRKK-CYBMUJFWSA-N 2 0 265.320 1.835 50 0 CDAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000261698835 140376161 /nfs/dbraw/zinc/37/61/61/140376161.db2.gz JFBQEAXNCNMZDF-HNNXBMFYSA-N 2 0 275.396 1.016 50 0 CDAARP C[C@@H]([NH3+])c1nc(C2CCOCC2)nn1C1CC[NH+](C)CC1 ZINC000097098967 278319359 /nfs/dbraw/zinc/31/93/59/278319359.db2.gz NODWSGJJSSGGKG-LLVKDONJSA-N 2 0 293.415 1.459 50 0 CDAARP C[NH+](C)C1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCCCC1 ZINC000070255139 282039809 /nfs/dbraw/zinc/03/98/09/282039809.db2.gz BLCXOPZTKNKGSS-AWEZNQCLSA-N 2 0 293.455 1.757 50 0 CDAARP C[C@@H](CN1CCc2ccccc2C1)[NH2+]CCn1ccnn1 ZINC000534638679 328334937 /nfs/dbraw/zinc/33/49/37/328334937.db2.gz ICYUVQLWTMLUPW-AWEZNQCLSA-N 2 0 285.395 1.315 50 0 CDAARP Cc1nccn1CCC(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000534656785 328340497 /nfs/dbraw/zinc/34/04/97/328340497.db2.gz JBJJVUABMBDZSX-CQSZACIVSA-N 2 0 287.367 1.583 50 0 CDAARP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757216239 577036142 /nfs/dbraw/zinc/03/61/42/577036142.db2.gz ZISZUACPNHCOLW-VPOLOUISSA-N 2 0 265.323 1.244 50 0 CDAARP C[N@@H+]1CCCCC[C@@H]1C(=O)NC1(C[NH+]2CCCCC2)CC1 ZINC000952964890 616178168 /nfs/dbraw/zinc/17/81/68/616178168.db2.gz AMRXQLCNGCZFLA-OAHLLOKOSA-N 2 0 293.455 1.996 50 0 CDAARP OC[C@]12C[NH2+]C[C@@H]1C[N@H+](CCCOCc1ccccc1)C2 ZINC001772706942 1159441314 /nfs/dbraw/zinc/44/13/14/1159441314.db2.gz VLRRZJFNQUNBEF-IAGOWNOFSA-N 2 0 290.407 1.107 50 0 CDAARP C[NH+](C)C1(CNC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000132002507 1175788737 /nfs/dbraw/zinc/78/87/37/1175788737.db2.gz LRODWBUXCRMVJW-AWEZNQCLSA-N 2 0 253.434 1.840 50 0 CDAARP C1C[C@H]2[C@H]3C[NH2+]C[C@H]3[C@@H]1[N@H+]2C1CSCCSC1 ZINC000426381836 902494035 /nfs/dbraw/zinc/49/40/35/902494035.db2.gz XYXNRUMCRKKVAE-MPZDIEGVSA-N 2 0 270.467 1.517 50 0 CDAARP CC1(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000426722439 902996198 /nfs/dbraw/zinc/99/61/98/902996198.db2.gz MYVIQARGXNCWTN-HNNXBMFYSA-N 2 0 252.402 1.879 50 0 CDAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccc(N(C)C)nc1 ZINC000952980927 910501410 /nfs/dbraw/zinc/50/14/10/910501410.db2.gz YGMSONQSDWDNJC-UHFFFAOYSA-N 2 0 285.395 1.475 50 0 CDAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@H]2CCCOC2)CC1 ZINC000828605353 926148291 /nfs/dbraw/zinc/14/82/91/926148291.db2.gz PNXQWRYHXLSHRN-AWEZNQCLSA-N 2 0 268.401 1.088 50 0 CDAARP [NH3+][C@@H](CCC(F)(F)F)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528347 935019641 /nfs/dbraw/zinc/01/96/41/935019641.db2.gz QCAGUUYJDOFLTB-GFMAATOTSA-N 2 0 252.280 1.302 50 0 CDAARP CC[N@@H+]1CCC[C@H]1CN1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC001506409356 975153462 /nfs/dbraw/zinc/15/34/62/975153462.db2.gz ZFMNAFJXOPSECS-INIZCTEOSA-N 2 0 294.487 1.183 50 0 CDAARP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000089937304 539087590 /nfs/dbraw/zinc/08/75/90/539087590.db2.gz NDYSVAOORRUXHO-LVQVYYBASA-N 2 0 265.445 1.932 50 0 CDAARP COCCC[N@@H+]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000065529410 357548323 /nfs/dbraw/zinc/54/83/23/357548323.db2.gz UPWTZWOOIOSNAI-CYBMUJFWSA-N 2 0 272.458 1.830 50 0 CDAARP CC(C)c1nccn1CCCNC(=O)C1([NH3+])CC1 ZINC000071761978 357779366 /nfs/dbraw/zinc/77/93/66/357779366.db2.gz MDDZXMRFSCDFRQ-UHFFFAOYSA-N 2 0 250.346 1.004 50 0 CDAARP Cn1ccnc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000093108257 358585237 /nfs/dbraw/zinc/58/52/37/358585237.db2.gz UOAXFXWWCHLZRL-OAHLLOKOSA-N 2 0 274.412 1.894 50 0 CDAARP Cc1c[nH]c(CN(C)C(=O)NCC(C)(C)C[NH+](C)C)n1 ZINC000426370443 360659703 /nfs/dbraw/zinc/65/97/03/360659703.db2.gz KHLTUFZJKSCTEY-UHFFFAOYSA-N 2 0 281.404 1.447 50 0 CDAARP CC(C)NC(=O)CC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000095364971 374889505 /nfs/dbraw/zinc/88/95/05/374889505.db2.gz KAKLYNZAKDELRB-UHFFFAOYSA-N 2 0 292.427 1.589 50 0 CDAARP Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000067878918 134940902 /nfs/dbraw/zinc/94/09/02/134940902.db2.gz XPGRULXTRRRYJJ-MCIONIFRSA-N 2 0 287.411 1.193 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000263284573 287274523 /nfs/dbraw/zinc/27/45/23/287274523.db2.gz TZLRTSGBDOAQIH-OAGGEKHMSA-N 2 0 293.455 1.709 50 0 CDAARP Cc1nccn1CCC1CC[NH+](C[C@]2(O)CC[NH2+]C2)CC1 ZINC000072410642 176398356 /nfs/dbraw/zinc/39/83/56/176398356.db2.gz IUFLSLKMBWXXJI-INIZCTEOSA-N 2 0 292.427 1.018 50 0 CDAARP C[NH+]1CCC(O)(c2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000299803154 276888671 /nfs/dbraw/zinc/88/86/71/276888671.db2.gz YKFORPWMLAGBIZ-UHFFFAOYSA-N 2 0 262.353 1.082 50 0 CDAARP COc1ccc(C[NH2+]CCNc2cc[nH+]cc2C)cc1O ZINC000952981580 617257853 /nfs/dbraw/zinc/25/78/53/617257853.db2.gz SKTHAEQYGAQSIC-UHFFFAOYSA-N 2 0 287.363 1.728 50 0 CDAARP C[C@H]1CCC[N@H+](CCC(=O)N(C)CC[NH+](C)C)C1 ZINC000020857486 786290519 /nfs/dbraw/zinc/29/05/19/786290519.db2.gz FDTRYRXEKBPODT-ZDUSSCGKSA-N 2 0 255.406 1.128 50 0 CDAARP COc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1C[NH+]1CCCC1 ZINC000032551057 788137468 /nfs/dbraw/zinc/13/74/68/788137468.db2.gz RJMTUMCOZHOORW-LBPRGKRZSA-N 2 0 291.395 1.254 50 0 CDAARP COCCOCC[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000824450657 925823408 /nfs/dbraw/zinc/82/34/08/925823408.db2.gz LMDQUNNMVFNIGD-UHFFFAOYSA-N 2 0 270.417 1.505 50 0 CDAARP C1OC2(C[C@H]1[NH2+]C1CSCCSC1)CC[NH2+]CC2 ZINC001529179509 969004802 /nfs/dbraw/zinc/00/48/02/969004802.db2.gz BQYAXVBTYVXKRN-LLVKDONJSA-N 2 0 288.482 1.336 50 0 CDAARP CC(C)c1nccn1CCCNc1nccc(N)n1 ZINC001529191951 969010416 /nfs/dbraw/zinc/01/04/16/969010416.db2.gz KJYFLNNRYRJXJE-UHFFFAOYSA-N 2 0 260.345 1.881 50 0 CDAARP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021990 185153637 /nfs/dbraw/zinc/15/36/37/185153637.db2.gz IINJXOIZFRSOGL-WCQYABFASA-N 2 0 262.353 1.627 50 0 CDAARP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000016124110 356430795 /nfs/dbraw/zinc/43/07/95/356430795.db2.gz DUNDIGFYPOUEEK-ZDUSSCGKSA-N 2 0 297.443 1.975 50 0 CDAARP COCC[N@@H+]1CC[C@H](CN(C)Cc2cc(C)no2)C1 ZINC000216377885 358941899 /nfs/dbraw/zinc/94/18/99/358941899.db2.gz ZEVGWOZNENZGJA-CYBMUJFWSA-N 2 0 267.373 1.383 50 0 CDAARP CCn1ccnc1CN1CC[N@@H+](C(C)C)C[C@H]1C ZINC000248011337 360308525 /nfs/dbraw/zinc/30/85/25/360308525.db2.gz RKVFECADAPWVEZ-CYBMUJFWSA-N 2 0 250.390 1.818 50 0 CDAARP COC[C@@H]1CN(CCCc2cnccc2C)CCO1 ZINC000377544272 371573139 /nfs/dbraw/zinc/57/31/39/371573139.db2.gz UIYOOSJMPPMMAD-HNNXBMFYSA-N 2 0 264.369 1.670 50 0 CDAARP Cc1cnc(N)nc1N(C)CC[N@H+](C)C1CCCC1 ZINC000091645488 390891163 /nfs/dbraw/zinc/89/11/63/390891163.db2.gz SVCKCZQDGIUNSR-UHFFFAOYSA-N 2 0 263.389 1.678 50 0 CDAARP C[N@H+](CCNC(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000071372517 176138395 /nfs/dbraw/zinc/13/83/95/176138395.db2.gz BUZUNLFPRMWKDM-UHFFFAOYSA-N 2 0 275.396 1.234 50 0 CDAARP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000299739473 303462939 /nfs/dbraw/zinc/46/29/39/303462939.db2.gz OVXVWAGOCZSVQZ-ZNMIVQPWSA-N 2 0 279.428 1.591 50 0 CDAARP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000067725969 789906020 /nfs/dbraw/zinc/90/60/20/789906020.db2.gz QQDLRMGIVLAACV-AWEZNQCLSA-N 2 0 270.380 1.712 50 0 CDAARP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000585089117 539103247 /nfs/dbraw/zinc/10/32/47/539103247.db2.gz HNITUVLJZPVICJ-KBPBESRZSA-N 2 0 267.417 1.304 50 0 CDAARP Cc1cccc(CN2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102763068 185790212 /nfs/dbraw/zinc/79/02/12/185790212.db2.gz UNOYCYQOFPPTIG-PIIMJCKOSA-N 2 0 285.435 1.578 50 0 CDAARP C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481050 357839032 /nfs/dbraw/zinc/83/90/32/357839032.db2.gz MXDONCQUSGRAHX-QGZVFWFLSA-N 2 0 291.439 1.076 50 0 CDAARP [NH3+][C@@H]1CC[N@H+](CCCCOCc2ccccc2)C[C@H]1O ZINC000082107026 358147047 /nfs/dbraw/zinc/14/70/47/358147047.db2.gz GVUGHIPGFNURCH-HZPDHXFCSA-N 2 0 278.396 1.377 50 0 CDAARP Cc1n[nH]c(CN2CCC(O)(C[NH+](C)C)CC2)c1Cl ZINC000097475661 358779197 /nfs/dbraw/zinc/77/91/97/358779197.db2.gz CEJBIMGTSILBQW-UHFFFAOYSA-N 2 0 286.807 1.260 50 0 CDAARP CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000426478141 360674467 /nfs/dbraw/zinc/67/44/67/360674467.db2.gz QYUQTLFBQBPDAO-LBPRGKRZSA-N 2 0 264.373 1.189 50 0 CDAARP C[N@H+](CC(N)=O)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000095351044 374888408 /nfs/dbraw/zinc/88/84/08/374888408.db2.gz TXFWJBFBKDYQBV-UHFFFAOYSA-N 2 0 289.423 1.706 50 0 CDAARP CC[N@@H+]1CCC[C@@H](CN2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000020586451 374977738 /nfs/dbraw/zinc/97/77/38/374977738.db2.gz XXLRJADSHBDTDM-HZPDHXFCSA-N 2 0 265.445 1.888 50 0 CDAARP C[NH+](C)CCP(=O)(CC[NH+](C)C)c1ccccc1 ZINC000003105894 375541979 /nfs/dbraw/zinc/54/19/79/375541979.db2.gz HEMMLODBBQAMSB-UHFFFAOYSA-N 2 0 268.341 1.798 50 0 CDAARP CCOC(=O)[C@H]1CC2(CC[NH+](C)CC2)[N@@H+]2CCC[C@H]12 ZINC000004342651 390152597 /nfs/dbraw/zinc/15/25/97/390152597.db2.gz IQJCIKOQCJLDKT-QWHCGFSZSA-N 2 0 266.385 1.498 50 0 CDAARP c1cnn(CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000065452084 391070746 /nfs/dbraw/zinc/07/07/46/391070746.db2.gz XCRZYQAVEJTBGV-AWEZNQCLSA-N 2 0 271.368 1.712 50 0 CDAARP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000095410390 391719984 /nfs/dbraw/zinc/71/99/84/391719984.db2.gz HOUMOIQGVSYEBN-FPCVCCKLSA-N 2 0 265.445 1.932 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000095967232 393156465 /nfs/dbraw/zinc/15/64/65/393156465.db2.gz UQFKKWPTQOXWER-MCIONIFRSA-N 2 0 250.390 1.592 50 0 CDAARP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408371 173184553 /nfs/dbraw/zinc/18/45/53/173184553.db2.gz GIZRRICXDPWZOI-CYBMUJFWSA-N 2 0 262.401 1.611 50 0 CDAARP CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000122370084 281303406 /nfs/dbraw/zinc/30/34/06/281303406.db2.gz OFXRXVXZBXEYJF-UMVBOHGHSA-N 2 0 265.401 1.262 50 0 CDAARP [NH3+]C[C@@H]1CC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209911 577035798 /nfs/dbraw/zinc/03/57/98/577035798.db2.gz GPSDDLHWXJHUCF-UKKRHICBSA-N 2 0 265.323 1.244 50 0 CDAARP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000125137341 187171075 /nfs/dbraw/zinc/17/10/75/187171075.db2.gz NWTYNZZNBMUWLZ-TZMCWYRMSA-N 2 0 261.369 1.287 50 0 CDAARP C[C@H](Cc1c[nH]c2ccccc12)NC(=[NH2+])NC(N)=[NH2+] ZINC000000173321 346183668 /nfs/dbraw/zinc/18/36/68/346183668.db2.gz UMCUSGNBKYXNDW-MRVPVSSYSA-N 2 0 258.329 1.106 50 0 CDAARP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000195554394 358556694 /nfs/dbraw/zinc/55/66/94/358556694.db2.gz UPHGLGSOJMBQSD-AWEZNQCLSA-N 2 0 267.417 1.591 50 0 CDAARP Cc1cc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)on1 ZINC000216484972 358947337 /nfs/dbraw/zinc/94/73/37/358947337.db2.gz YZZPVHDPRPTJCS-OAHLLOKOSA-N 2 0 292.427 1.442 50 0 CDAARP [NH3+]Cc1cn(CC2CC[NH+](Cc3ccccn3)CC2)nn1 ZINC000023338835 359094014 /nfs/dbraw/zinc/09/40/14/359094014.db2.gz ZIASYIHRCNCVEY-UHFFFAOYSA-N 2 0 286.383 1.044 50 0 CDAARP CC[N@@H+]1CC[C@@H](c2nnc3n2CC[NH+](CC(C)C)CC3)C1 ZINC000257187206 359529257 /nfs/dbraw/zinc/52/92/57/359529257.db2.gz ABKCPQZKXDBCLL-CQSZACIVSA-N 2 0 291.443 1.601 50 0 CDAARP C[NH+]1CCC(O)(CNc2cc(C(F)(F)F)ccn2)CC1 ZINC000032587011 359686383 /nfs/dbraw/zinc/68/63/83/359686383.db2.gz HZYVESBBLJFTER-UHFFFAOYSA-N 2 0 289.301 1.969 50 0 CDAARP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569269 283549535 /nfs/dbraw/zinc/54/95/35/283549535.db2.gz GBDOBAJGPYINKA-MCIONIFRSA-N 2 0 261.369 1.320 50 0 CDAARP c1c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)[nH]nc1C1CC1 ZINC000426490783 360675550 /nfs/dbraw/zinc/67/55/50/360675550.db2.gz YIBDHIDRPGRVSH-UHFFFAOYSA-N 2 0 276.384 1.242 50 0 CDAARP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396853 374902570 /nfs/dbraw/zinc/90/25/70/374902570.db2.gz FDKWJESCJJZBQU-KBPBESRZSA-N 2 0 298.452 1.509 50 0 CDAARP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000299738703 375200152 /nfs/dbraw/zinc/20/01/52/375200152.db2.gz FLAVWGBEFKOFTB-AGIUHOORSA-N 2 0 253.390 1.057 50 0 CDAARP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333296 376017142 /nfs/dbraw/zinc/01/71/42/376017142.db2.gz FCULVMSQGYSJCJ-QLFBSQMISA-N 2 0 295.427 1.728 50 0 CDAARP CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCCC2)C1 ZINC000670473084 483082551 /nfs/dbraw/zinc/08/25/51/483082551.db2.gz BYAJQXHWYSQAIN-HNNXBMFYSA-N 2 0 281.444 1.853 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261940556 285393885 /nfs/dbraw/zinc/39/38/85/285393885.db2.gz NDOWNQCNCHVZFE-KFWWJZLASA-N 2 0 293.455 1.565 50 0 CDAARP CN1CCC[N@H+](C)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000216080099 391004888 /nfs/dbraw/zinc/00/48/88/391004888.db2.gz BCJKBGLODGDKSL-UHFFFAOYSA-N 2 0 288.439 1.684 50 0 CDAARP CC(C)(C)OC(=O)NCC1=[NH+]C(=C2C=CC(=[NH2+])C=C2)NN1 ZINC000101053162 397761816 /nfs/dbraw/zinc/76/18/16/397761816.db2.gz OSQWABYOQIDSJC-UHFFFAOYSA-N 2 0 289.339 1.375 50 0 CDAARP c1cc2cc(C3=[NH+]CCN3)ccc2cc1C1=[NH+]CCN1 ZINC000000184657 296609671 /nfs/dbraw/zinc/60/96/71/296609671.db2.gz WJDDYHHCAYVQTL-UHFFFAOYSA-N 2 0 264.332 1.539 50 0 CDAARP C(CN1CCOCC1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067675207 175782422 /nfs/dbraw/zinc/78/24/22/175782422.db2.gz IFKYBOVEFFGABE-UHFFFAOYSA-N 2 0 281.444 1.221 50 0 CDAARP CC[NH2+]C[C@@H](O)COCCC[N@@H+]1CCC[C@H](C)C1 ZINC000043061623 482563917 /nfs/dbraw/zinc/56/39/17/482563917.db2.gz HPIOXBOTTXBOLI-UONOGXRCSA-N 2 0 258.406 1.095 50 0 CDAARP CC(C)OC[C@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527822 614034799 /nfs/dbraw/zinc/03/47/99/614034799.db2.gz FPZQCEHANOMZPS-NSHDSACASA-N 2 0 258.406 1.410 50 0 CDAARP OC[C@]12C[NH2+]C[C@H]1C[N@H+](CCCOCc1ccccc1)C2 ZINC001772706932 1159441255 /nfs/dbraw/zinc/44/12/55/1159441255.db2.gz VLRRZJFNQUNBEF-DLBZAZTESA-N 2 0 290.407 1.107 50 0 CDAARP C[C@H](Cn1ccnc1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486108 812803310 /nfs/dbraw/zinc/80/33/10/812803310.db2.gz JHDYFXPWLZWMEL-OAHLLOKOSA-N 2 0 291.443 1.031 50 0 CDAARP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000823783440 925732794 /nfs/dbraw/zinc/73/27/94/925732794.db2.gz UMXQSLWMIUGZIO-AWEZNQCLSA-N 2 0 297.468 1.120 50 0 CDAARP COCc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)no1 ZINC000585118302 362048036 /nfs/dbraw/zinc/04/80/36/362048036.db2.gz JXEHCIWINRQGDR-UHFFFAOYSA-N 2 0 267.373 1.643 50 0 CDAARP CCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000253369939 342416130 /nfs/dbraw/zinc/41/61/30/342416130.db2.gz KGWHZXJYGUFUSF-OCCSQVGLSA-N 2 0 267.417 1.589 50 0 CDAARP COc1ccc(O)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067818095 357629063 /nfs/dbraw/zinc/62/90/63/357629063.db2.gz SNBIFVGGAPEQTA-UHFFFAOYSA-N 2 0 276.380 1.976 50 0 CDAARP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000248112965 360368281 /nfs/dbraw/zinc/36/82/81/360368281.db2.gz HTPMOOZFFMXGEA-JKSUJKDBSA-N 2 0 293.455 1.948 50 0 CDAARP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299739027 375200416 /nfs/dbraw/zinc/20/04/16/375200416.db2.gz JPWSMXSUBOAJBG-CHWSQXEVSA-N 2 0 253.390 1.201 50 0 CDAARP C[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)CC1(CO)CCCC1 ZINC000240128336 256868601 /nfs/dbraw/zinc/86/86/01/256868601.db2.gz IPZSFGKTCHTZJB-OKILXGFUSA-N 2 0 254.418 1.988 50 0 CDAARP C[C@H](C1CC[NH+](Cc2ccnn2C)CC1)[NH+]1CCOCC1 ZINC000020272418 171127249 /nfs/dbraw/zinc/12/72/49/171127249.db2.gz YCTOBBHQDAKAFZ-CQSZACIVSA-N 2 0 292.427 1.353 50 0 CDAARP C[NH+]1CCC(NCC[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000020677811 171269823 /nfs/dbraw/zinc/26/98/23/171269823.db2.gz UYFKDHLLTNQXBN-AWEZNQCLSA-N 2 0 269.433 1.217 50 0 CDAARP C[C@H](C1CC[NH+](Cc2cccnc2N)CC1)[NH+](C)C ZINC000077390745 177262085 /nfs/dbraw/zinc/26/20/85/177262085.db2.gz VPSUNOLKFNUUEK-GFCCVEGCSA-N 2 0 262.401 1.826 50 0 CDAARP CN1CC[N@H+](C)C[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000225344492 277102205 /nfs/dbraw/zinc/10/22/05/277102205.db2.gz UJAGGMFMHAYPFX-ZDUSSCGKSA-N 2 0 270.380 1.893 50 0 CDAARP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000263297152 295319707 /nfs/dbraw/zinc/31/97/07/295319707.db2.gz YIDUCLMCGDDUNA-MCIONIFRSA-N 2 0 265.401 1.201 50 0 CDAARP C[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000247107102 298290568 /nfs/dbraw/zinc/29/05/68/298290568.db2.gz KYKGFSRAWJLFPN-XGUBFFRZSA-N 2 0 281.444 1.598 50 0 CDAARP CSC[C@@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000534635496 328333527 /nfs/dbraw/zinc/33/35/27/328333527.db2.gz DBKLUFGOJBREFS-CYBMUJFWSA-N 2 0 271.474 1.355 50 0 CDAARP C[C@H](CN1CCc2ccccc2C1)[NH2+]CCn1ccnn1 ZINC000534638684 328334813 /nfs/dbraw/zinc/33/48/13/328334813.db2.gz ICYUVQLWTMLUPW-CQSZACIVSA-N 2 0 285.395 1.315 50 0 CDAARP CC[NH2+]C[C@H](O)COCCC[N@@H+]1CCC[C@H](C)C1 ZINC000043061619 482563666 /nfs/dbraw/zinc/56/36/66/482563666.db2.gz HPIOXBOTTXBOLI-KBPBESRZSA-N 2 0 258.406 1.095 50 0 CDAARP COc1c(F)cccc1CNCCC[N@@H+]1CCC[C@H](O)C1 ZINC000952970977 617147056 /nfs/dbraw/zinc/14/70/56/617147056.db2.gz WQTXWKPSXZXBEO-AWEZNQCLSA-N 2 0 296.386 1.771 50 0 CDAARP CN(C)CC[N@H+](C)C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000828837218 926194737 /nfs/dbraw/zinc/19/47/37/926194737.db2.gz IAMGACAHMGWJFA-UHFFFAOYSA-N 2 0 292.427 1.036 50 0 CDAARP CC[N@@H+]1CCC[C@H]1CN1CCC([NH+]2CCSCC2)CC1 ZINC001506419769 975157459 /nfs/dbraw/zinc/15/74/59/975157459.db2.gz JLGGUIDJMSKRSX-INIZCTEOSA-N 2 0 297.512 1.984 50 0 CDAARP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021392 185153897 /nfs/dbraw/zinc/15/38/97/185153897.db2.gz FCULVMSQGYSJCJ-RBSFLKMASA-N 2 0 295.427 1.728 50 0 CDAARP O[C@@]1(C[NH+]2CCC(F)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063883230 357519317 /nfs/dbraw/zinc/51/93/17/357519317.db2.gz DVFRBCNXUASXEE-HUUCEWRRSA-N 2 0 270.392 1.800 50 0 CDAARP C[C@@H]([NH2+]CC1(Cn2ccnc2)CC1)C(=O)NC1CCCC1 ZINC000065493819 357544891 /nfs/dbraw/zinc/54/48/91/357544891.db2.gz HWVWUZMROQOFMM-CYBMUJFWSA-N 2 0 290.411 1.700 50 0 CDAARP CC[NH+]1CCC([NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000037978676 359470965 /nfs/dbraw/zinc/47/09/65/359470965.db2.gz IVSPTHWNKJZFKM-UHFFFAOYSA-N 2 0 291.395 1.125 50 0 CDAARP COCC[NH+]1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000123032179 360326683 /nfs/dbraw/zinc/32/66/83/360326683.db2.gz SUMNKSISWYSPMU-UHFFFAOYSA-N 2 0 288.395 1.407 50 0 CDAARP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C=CC[NH2+]1 ZINC000299802062 372773410 /nfs/dbraw/zinc/77/34/10/372773410.db2.gz ZQRFYFQNZYKZJN-INIZCTEOSA-N 2 0 285.391 1.427 50 0 CDAARP [NH3+][C@H]1CC[C@@H](C[N@@H+]2CCC[C@H](CN3CCCC3=O)C2)CC1 ZINC000244601771 256867693 /nfs/dbraw/zinc/86/76/93/256867693.db2.gz DRMCUGZGVWXYSD-HRCADAONSA-N 2 0 293.455 1.838 50 0 CDAARP CN1CCC[N@@H+]([C@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000426623361 391860110 /nfs/dbraw/zinc/86/01/10/391860110.db2.gz UEDHBESQMSRRBU-AWEZNQCLSA-N 2 0 283.485 1.642 50 0 CDAARP CCO[C@H]1COC[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067740245 276361210 /nfs/dbraw/zinc/36/12/10/276361210.db2.gz FPBGPFPCXAZUTQ-GJZGRUSLSA-N 2 0 282.428 1.692 50 0 CDAARP C[NH+](C)CCC[NH+]=C1NC=N[C@@H]2C=C(Cl)C=C[C@H]12 ZINC000004085124 276784991 /nfs/dbraw/zinc/78/49/91/276784991.db2.gz IHVLCFGXWABDPI-NWDGAFQWSA-N 2 0 266.776 1.645 50 0 CDAARP O[C@H]1C[C@@H]2C[N@@H+](C3CC[NH+](C4CCCC4)CC3)C[C@H]12 ZINC001772703829 1159439131 /nfs/dbraw/zinc/43/91/31/1159439131.db2.gz JPGGNGJUJJWCGE-KCXAZCMYSA-N 2 0 264.413 1.706 50 0 CDAARP CN(CCC[NH+]1CCCCCC1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000952974567 616074800 /nfs/dbraw/zinc/07/48/00/616074800.db2.gz JSPIVFGXXNMDEJ-AWEZNQCLSA-N 2 0 265.401 1.239 50 0 CDAARP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000952978266 616243355 /nfs/dbraw/zinc/24/33/55/616243355.db2.gz KVQXZAMDSFLPFI-HNNXBMFYSA-N 2 0 277.412 1.739 50 0 CDAARP Cc1[nH+]c(N2CCCC2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC001704339308 1177694724 /nfs/dbraw/zinc/69/47/24/1177694724.db2.gz IAJBQIQOMWUXKT-ZDUSSCGKSA-N 2 0 275.400 1.858 50 0 CDAARP C[NH+]1CCC(N2CCC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000032565509 827489987 /nfs/dbraw/zinc/48/99/87/827489987.db2.gz PZGWUEYTZIGAMX-OAHLLOKOSA-N 2 0 265.445 1.888 50 0 CDAARP CCN1CC[NH+](C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000823112746 925673823 /nfs/dbraw/zinc/67/38/23/925673823.db2.gz ARBKBBDIOODHAJ-UHFFFAOYSA-N 2 0 288.439 1.996 50 0 CDAARP Cc1cnccc1CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000585117690 362046666 /nfs/dbraw/zinc/04/66/66/362046666.db2.gz SOGMLICNUBRVDC-UHFFFAOYSA-N 2 0 291.439 1.757 50 0 CDAARP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299739230 356268540 /nfs/dbraw/zinc/26/85/40/356268540.db2.gz MCROZEKQFHBRJV-IJEWVQPXSA-N 2 0 289.423 1.703 50 0 CDAARP CCc1c(C)[nH+]c(N)nc1N1CC[NH+](CCSC)CC1 ZINC000095363524 358685282 /nfs/dbraw/zinc/68/52/82/358685282.db2.gz YCSAQXYGKXNMAL-UHFFFAOYSA-N 2 0 295.456 1.415 50 0 CDAARP Cc1nc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c[nH]1 ZINC000039443038 377536149 /nfs/dbraw/zinc/53/61/49/377536149.db2.gz CERCYYHDDYYORS-MRXNPFEDSA-N 2 0 292.427 1.529 50 0 CDAARP C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000521398774 256847214 /nfs/dbraw/zinc/84/72/14/256847214.db2.gz WHKCAGZAXLOIJQ-RNJOBUHISA-N 2 0 253.390 1.151 50 0 CDAARP Cc1[nH+]c(N)nc(N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000095370201 281919030 /nfs/dbraw/zinc/91/90/30/281919030.db2.gz DKYDJZIYKHPSFK-UHFFFAOYSA-N 2 0 284.367 1.397 50 0 CDAARP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000299738547 295306659 /nfs/dbraw/zinc/30/66/59/295306659.db2.gz CDHWWXDRFKCWHZ-QLFBSQMISA-N 2 0 279.428 1.448 50 0 CDAARP C[NH+](C)C1(CNC(=O)CC[NH+]2CCCC2)CCCCC1 ZINC000072799578 567902947 /nfs/dbraw/zinc/90/29/47/567902947.db2.gz JFSKSWZQMPHIPX-UHFFFAOYSA-N 2 0 281.444 1.853 50 0 CDAARP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@H+](C)Cc3cnc(N)nc3)C[C@@H]2C1 ZINC001704352781 1177699369 /nfs/dbraw/zinc/69/93/69/1177699369.db2.gz FQIYZBQEQRFOJC-NMWPEEMBSA-N 2 0 289.427 1.609 50 0 CDAARP Cc1nncn1CC[N@@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690234 925721790 /nfs/dbraw/zinc/72/17/90/925721790.db2.gz RRXCHIUDHABVQW-CYBMUJFWSA-N 2 0 265.405 1.249 50 0 CDAARP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](O)CC1 ZINC000828628881 926150818 /nfs/dbraw/zinc/15/08/18/926150818.db2.gz WFRZVBVAQZYQRE-AWEZNQCLSA-N 2 0 254.418 1.955 50 0 CDAARP C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]1 ZINC000295007044 199296300 /nfs/dbraw/zinc/29/63/00/199296300.db2.gz LTXPECZXWKMTAZ-MLGOLLRUSA-N 2 0 287.407 1.245 50 0 CDAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CO)o3)C[C@H]21 ZINC000102017425 358868271 /nfs/dbraw/zinc/86/82/71/358868271.db2.gz WBTSDKJHKKHWOW-ZSOGYDGISA-N 2 0 250.342 1.011 50 0 CDAARP C[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000089901541 366962251 /nfs/dbraw/zinc/96/22/51/366962251.db2.gz NXOAHIPOASISNC-CQSZACIVSA-N 2 0 291.439 1.687 50 0 CDAARP Cc1ccc(NC[C@H]2CCN([C@H]3CCOC3=O)C2)nc1 ZINC000225343594 374242296 /nfs/dbraw/zinc/24/22/96/374242296.db2.gz QPPMUVPGNCNURM-OLZOCXBDSA-N 2 0 275.352 1.439 50 0 CDAARP C[C@H](CC1CC1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000095421925 374923055 /nfs/dbraw/zinc/92/30/55/374923055.db2.gz CCLGRLOVKWIEQL-CQSZACIVSA-N 2 0 253.434 1.792 50 0 CDAARP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000095421273 374924186 /nfs/dbraw/zinc/92/41/86/374924186.db2.gz PZKKLKWOAQEADK-ZDUSSCGKSA-N 2 0 293.411 1.814 50 0 CDAARP COCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000242302102 376020599 /nfs/dbraw/zinc/02/05/99/376020599.db2.gz YPNWMTLDJLDHDB-LXTVHRRPSA-N 2 0 282.428 1.358 50 0 CDAARP C[NH+](CCO)CCCCCCCCCC[N@H+](C)CCO ZINC000071771348 176262575 /nfs/dbraw/zinc/26/25/75/176262575.db2.gz OFVHQSQWLXIINL-UHFFFAOYSA-N 2 0 288.476 1.955 50 0 CDAARP [NH3+][C@@H]1CC[C@@H]1NC(=O)CCC[NH+]1Cc2ccccc2C1 ZINC000072125248 176320443 /nfs/dbraw/zinc/32/04/43/176320443.db2.gz AKLDTVWHOMHVET-CABCVRRESA-N 2 0 273.380 1.388 50 0 CDAARP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000262245054 303462853 /nfs/dbraw/zinc/46/28/53/303462853.db2.gz CHBVKLNZILPMTA-XHSDSOJGSA-N 2 0 293.455 1.981 50 0 CDAARP OC[C@]12C[NH2+]C[C@@H]1CN(CCOc1ccc(Cl)cc1)C2 ZINC001772700514 1159436811 /nfs/dbraw/zinc/43/68/11/1159436811.db2.gz FXQWFGNVTUXTPC-IUODEOHRSA-N 2 0 296.798 1.233 50 0 CDAARP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CCC3)CC2)C1 ZINC000078950023 342206150 /nfs/dbraw/zinc/20/61/50/342206150.db2.gz XSNTXNRKTXIXHL-HNNXBMFYSA-N 2 0 251.418 1.498 50 0 CDAARP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000191353045 362421601 /nfs/dbraw/zinc/42/16/01/362421601.db2.gz CJZQUHVFHBWUHT-CVEARBPZSA-N 2 0 287.407 1.601 50 0 CDAARP [NH3+]CC1CCN(C(=O)CC[NH+]2CCCCCCC2)CC1 ZINC000055401177 357333276 /nfs/dbraw/zinc/33/32/76/357333276.db2.gz IUGMNWCJIBKZTN-UHFFFAOYSA-N 2 0 281.444 1.840 50 0 CDAARP CCc1cnc(C)nc1NC[C@@H](O)C[NH+]1CCCCCC1 ZINC000065493377 357544844 /nfs/dbraw/zinc/54/48/44/357544844.db2.gz NDGFUJFLZKJCPD-OAHLLOKOSA-N 2 0 292.427 1.996 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cnn(CC[NH+](C)C)c1 ZINC000097037676 358100672 /nfs/dbraw/zinc/10/06/72/358100672.db2.gz QSJBCARSVWVSQO-UMVBOHGHSA-N 2 0 279.432 1.585 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000263233620 287273843 /nfs/dbraw/zinc/27/38/43/287273843.db2.gz CWUPRYNTXJDKPD-CHWSQXEVSA-N 2 0 253.390 1.058 50 0 CDAARP CC(C)(C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000534647265 328342711 /nfs/dbraw/zinc/34/27/11/328342711.db2.gz REECXSFTGKYAHT-AWEZNQCLSA-N 2 0 281.444 1.757 50 0 CDAARP Cc1cc(NCc2ccc(C[NH3+])cc2)nc(N2CCCC2)[nH+]1 ZINC000534676077 328356281 /nfs/dbraw/zinc/35/62/81/328356281.db2.gz IRLKUQIOEQUDKI-UHFFFAOYSA-N 2 0 297.406 1.878 50 0 CDAARP C[NH+](C)C[C@]12C[NH2+]C[C@@H]1CN(C(=O)c1ccc(Cl)o1)C2 ZINC001772711325 1159445757 /nfs/dbraw/zinc/44/57/57/1159445757.db2.gz HKBOMEUKTKMEMC-YGRLFVJLSA-N 2 0 297.786 1.156 50 0 CDAARP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](O)C2)c(C)c1 ZINC000952962110 617257419 /nfs/dbraw/zinc/25/74/19/617257419.db2.gz AWQFQOPJCHOAMM-INIZCTEOSA-N 2 0 292.423 1.940 50 0 CDAARP C[NH+](C)C[C@]12C[NH2+]C[C@@H]1CN(c1ncc(Cl)cc1F)C2 ZINC001772712028 1159445231 /nfs/dbraw/zinc/44/52/31/1159445231.db2.gz ZNICZYJSQIIOBV-YGRLFVJLSA-N 2 0 298.793 1.462 50 0 CDAARP CSc1ncc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cn1 ZINC000426488117 846557975 /nfs/dbraw/zinc/55/79/75/846557975.db2.gz DUGNUBCASGWTDN-ZSBIGDGJSA-N 2 0 264.398 1.368 50 0 CDAARP OC[C@H]1CCC[N@H+](CCCNCc2cnccc2Cl)C1 ZINC000952868540 910416315 /nfs/dbraw/zinc/41/63/15/910416315.db2.gz BQBJBSDVUAFBNU-ZDUSSCGKSA-N 2 0 297.830 1.919 50 0 CDAARP OC1(C[NH+]2CCCC2)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000828605314 926148297 /nfs/dbraw/zinc/14/82/97/926148297.db2.gz BXEIHILZFOPKEX-OAHLLOKOSA-N 2 0 282.428 1.478 50 0 CDAARP Cc1cccnc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000096497129 230384010 /nfs/dbraw/zinc/38/40/10/230384010.db2.gz RUCVRLSOXIWINU-UHFFFAOYSA-N 2 0 276.428 1.459 50 0 CDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000095967235 185046261 /nfs/dbraw/zinc/04/62/61/185046261.db2.gz UQFKKWPTQOXWER-HZSPNIEDSA-N 2 0 250.390 1.592 50 0 CDAARP c1nc2ccccc2n1CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000244695612 361857074 /nfs/dbraw/zinc/85/70/74/361857074.db2.gz JPIUCABRQUVLAG-HNNXBMFYSA-N 2 0 299.422 1.016 50 0 CDAARP C[NH+]1CCC(CC[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000105454138 186058306 /nfs/dbraw/zinc/05/83/06/186058306.db2.gz JIFRUEHGCMGONX-UHFFFAOYSA-N 2 0 275.396 1.607 50 0 CDAARP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[NH3+] ZINC000299739975 356275371 /nfs/dbraw/zinc/27/53/71/356275371.db2.gz UIGOCNAEAOLZRH-DZGCQCFKSA-N 2 0 275.396 1.314 50 0 CDAARP c1ncn(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000065503098 357546042 /nfs/dbraw/zinc/54/60/42/357546042.db2.gz KFOCOWLTHNBCSY-CABCVRRESA-N 2 0 283.379 1.594 50 0 CDAARP COCc1ncc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000067833865 357630323 /nfs/dbraw/zinc/63/03/23/357630323.db2.gz GTMXWJLJFUZHOA-MRXNPFEDSA-N 2 0 290.411 1.541 50 0 CDAARP O[C@]1(C[NH2+]C2CCN(c3ccccc3F)CC2)CC[NH2+]C1 ZINC000072423414 357890082 /nfs/dbraw/zinc/89/00/82/357890082.db2.gz GAHCFKULHYCJHG-MRXNPFEDSA-N 2 0 293.386 1.109 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566976 358566664 /nfs/dbraw/zinc/56/66/64/358566664.db2.gz BKNBIUSEBXQMSH-STQMWFEESA-N 2 0 271.405 1.347 50 0 CDAARP CN(Cc1ncc[nH]1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000426504676 360935474 /nfs/dbraw/zinc/93/54/74/360935474.db2.gz YEGGCJJVZDLXMN-LLVKDONJSA-N 2 0 265.361 1.035 50 0 CDAARP CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4[nH]ccc43)[C@H]2C1 ZINC000292758645 370380616 /nfs/dbraw/zinc/38/06/16/370380616.db2.gz KCBLTMGJMFQBPS-QWHCGFSZSA-N 2 0 287.367 1.257 50 0 CDAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2([NH3+])CCC2)[C@H](C)C1 ZINC000299740091 285383633 /nfs/dbraw/zinc/38/36/33/285383633.db2.gz VOWIYFGWYKGMOK-OLZOCXBDSA-N 2 0 267.417 1.447 50 0 CDAARP CCc1n(C)cc[n+]1CCCCC[n+]1ccn(C)c1CC ZINC000526051555 392118549 /nfs/dbraw/zinc/11/85/49/392118549.db2.gz OYIKCMDJMQKGQJ-UHFFFAOYSA-N 2 0 290.455 1.934 50 0 CDAARP C[NH+]1CCN(C(c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000019324193 277101018 /nfs/dbraw/zinc/10/10/18/277101018.db2.gz JCEJBRWAJUJRQJ-UHFFFAOYSA-N 2 0 288.439 1.180 50 0 CDAARP OC[C@]12C[NH2+]C[C@@H]1C[N@@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711465 1159445763 /nfs/dbraw/zinc/44/57/63/1159445763.db2.gz YZVUTMBLYXAVPR-CZUORRHYSA-N 2 0 264.413 1.613 50 0 CDAARP [NH3+]C[C@@H]1C[NH2+]C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757218610 574909798 /nfs/dbraw/zinc/90/97/98/574909798.db2.gz VHILDOGCIBXCCO-GWOFURMSSA-N 2 0 265.323 1.101 50 0 CDAARP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000238853130 848404865 /nfs/dbraw/zinc/40/48/65/848404865.db2.gz IKQSGNVRSNCGPI-OAHLLOKOSA-N 2 0 260.381 1.874 50 0 CDAARP C[NH+](C)[C@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000823662618 925719315 /nfs/dbraw/zinc/71/93/15/925719315.db2.gz DHWWLBGRRRCYNC-ZDUSSCGKSA-N 2 0 253.390 1.025 50 0 CDAARP Cc1nncn1CC[NH+](C)C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000823688776 925720433 /nfs/dbraw/zinc/72/04/33/925720433.db2.gz RCVBLHQWWRRRNS-HNNXBMFYSA-N 2 0 279.432 1.639 50 0 CDAARP CC(C)c1ncc(C[N@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)cn1 ZINC000823701104 925722525 /nfs/dbraw/zinc/72/25/25/925722525.db2.gz RDYOEFLVUGYFJQ-QKDCVEJESA-N 2 0 274.412 1.839 50 0 CDAARP Cc1cc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)nc(C)n1 ZINC000583650855 366006931 /nfs/dbraw/zinc/00/69/31/366006931.db2.gz CQXQDKCJKFQZJC-CYBMUJFWSA-N 2 0 290.411 1.783 50 0 CDAARP C[C@@H](C[NH3+])Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000299784142 372759422 /nfs/dbraw/zinc/75/94/22/372759422.db2.gz ZDKDQMKYAPTKIZ-LBPRGKRZSA-N 2 0 266.410 1.961 50 0 CDAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000223675854 391927951 /nfs/dbraw/zinc/92/79/51/391927951.db2.gz CZZXLDWXLVABNN-ZDUSSCGKSA-N 2 0 276.384 1.260 50 0 CDAARP CC(C)(C)[NH2+]CCOCCOCC[NH2+]C(C)(C)C ZINC000003120961 169857681 /nfs/dbraw/zinc/85/76/81/169857681.db2.gz UGGUOQMUQUMCJX-UHFFFAOYSA-N 2 0 260.422 1.796 50 0 CDAARP C[N@@H+]1CCC2(C1)CC[NH+](CC(C)(C)N1CCOCC1)CC2 ZINC000067833734 705945187 /nfs/dbraw/zinc/94/51/87/705945187.db2.gz YVSVBINCPLXMMN-UHFFFAOYSA-N 2 0 295.471 1.515 50 0 CDAARP CC[C@H](C(=O)NC[C@H]1C[NH2+]Cc2ccccc21)[NH+](C)C ZINC000952852327 910407782 /nfs/dbraw/zinc/40/77/82/910407782.db2.gz WAGIHBITGQITOL-UKRRQHHQSA-N 2 0 275.396 1.330 50 0 CDAARP Cc1cc(C)n(C[C@@H](C)[N@@H+]2CCOC3(CC[NH2+]CC3)C2)n1 ZINC001506396360 975147961 /nfs/dbraw/zinc/14/79/61/975147961.db2.gz RXMRIVYIZWBZRK-OAHLLOKOSA-N 2 0 292.427 1.343 50 0 CDAARP C1C[C@H]([NH2+]C2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000584903973 341994190 /nfs/dbraw/zinc/99/41/90/341994190.db2.gz HINZUWSLIYPDRA-ZDUSSCGKSA-N 2 0 270.442 1.725 50 0 CDAARP C[N@@H+]1C[C@@H](c2noc(C3CC3)n2)C2(C1)CC[NH+](C)CC2 ZINC000097940992 342158779 /nfs/dbraw/zinc/15/87/79/342158779.db2.gz AQEUXLNUTKKJPI-LBPRGKRZSA-N 2 0 276.384 1.688 50 0 CDAARP CC1=C[C@H](C)[C@@H](C[NH2+]CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000101567882 362363609 /nfs/dbraw/zinc/36/36/09/362363609.db2.gz VYWIPLBVFRKSKW-ARFHVFGLSA-N 2 0 265.445 1.720 50 0 CDAARP Cn1cc(CCC[N@H+](C)C[C@H]2CC[C@@H]([NH3+])CC2)cn1 ZINC000244708323 376022698 /nfs/dbraw/zinc/02/26/98/376022698.db2.gz KRQLEWHOVRRIKK-OTVXOJSOSA-N 2 0 264.417 1.802 50 0 CDAARP CC(C)Oc1ccc(CCNC(=[NH2+])NC(N)=[NH2+])cc1Cl ZINC000000177177 169565473 /nfs/dbraw/zinc/56/54/73/169565473.db2.gz QGLOSACVRFOWPU-UHFFFAOYSA-N 2 0 297.790 1.677 50 0 CDAARP CCc1cccc(CC)c1N1C(=[NH2+])NC(=[NH2+])NC1(C)C ZINC000000071379 390134023 /nfs/dbraw/zinc/13/40/23/390134023.db2.gz MOTSUCXTDVBHLQ-UHFFFAOYSA-N 2 0 273.384 1.997 50 0 CDAARP CCN(CC[NH+]1CCCCCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000055107415 390487298 /nfs/dbraw/zinc/48/72/98/390487298.db2.gz OPRHOWLTJSIPKS-OAHLLOKOSA-N 2 0 297.443 1.089 50 0 CDAARP CCC[NH+]1CCC(Cc2noc([C@@H]3CC[NH2+]C3)n2)CC1 ZINC000067805549 175793456 /nfs/dbraw/zinc/79/34/56/175793456.db2.gz ATJPBOYDYQJJNT-CYBMUJFWSA-N 2 0 278.400 1.811 50 0 CDAARP O[C@]1(C[NH2+]CCSCc2ccccc2)CCC[NH2+]C1 ZINC000077517677 177277808 /nfs/dbraw/zinc/27/78/08/177277808.db2.gz LVKQKCLMDFSJNP-OAHLLOKOSA-N 2 0 280.437 1.624 50 0 CDAARP Cn1c(COc2ccc(C(N)=[NH2+])cc2)c[n+]2ccccc12 ZINC000000387345 280180907 /nfs/dbraw/zinc/18/09/07/280180907.db2.gz VXKBUTDBHNOTRB-UHFFFAOYSA-N 2 0 281.339 1.627 50 0 CDAARP [NH3+][C@@H](c1ccc(F)cc1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528636 901867388 /nfs/dbraw/zinc/86/73/88/901867388.db2.gz XWKQJIPATCOGAA-WJLOJVBCSA-N 2 0 250.317 1.471 50 0 CDAARP C(C[NH+]1CCCC1)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000820430485 925522965 /nfs/dbraw/zinc/52/29/65/925522965.db2.gz KLLLQKNFMJOKGC-HNNXBMFYSA-N 2 0 252.402 1.973 50 0 CDAARP COCC[N@@H+]1CCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000824413118 925820419 /nfs/dbraw/zinc/82/04/19/925820419.db2.gz CYFISLWRHBGWDA-CYBMUJFWSA-N 2 0 256.390 1.113 50 0 CDAARP Cn1c(C[NH2+]CC2(C)CC[NH+](C)CC2)cnc1Cl ZINC000585091245 930927862 /nfs/dbraw/zinc/92/78/62/930927862.db2.gz WAZVWBVZDCHNLD-UHFFFAOYSA-N 2 0 270.808 1.895 50 0 CDAARP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000685939654 539045808 /nfs/dbraw/zinc/04/58/08/539045808.db2.gz NDYSVAOORRUXHO-FXUDXRNXSA-N 2 0 265.445 1.932 50 0 CDAARP Cn1ncc2c1CCCN(C[C@H](C[NH3+])C[C@@H]1CCOC1)C2 ZINC000685940796 539045896 /nfs/dbraw/zinc/04/58/96/539045896.db2.gz VMGXTLUEHMTDIL-KBPBESRZSA-N 2 0 292.427 1.170 50 0 CDAARP CN(C)C1(C[NH2+][C@H]2CCSC2)CC[NH+](C)CC1 ZINC000584900409 349362221 /nfs/dbraw/zinc/36/22/21/349362221.db2.gz LFETXXIDFXWUBX-LBPRGKRZSA-N 2 0 257.447 1.108 50 0 CDAARP c1ccc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000019861687 356511307 /nfs/dbraw/zinc/51/13/07/356511307.db2.gz WWKLYRBVTHFMIZ-UHFFFAOYSA-N 2 0 273.424 1.804 50 0 CDAARP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000096491729 357515236 /nfs/dbraw/zinc/51/52/36/357515236.db2.gz VHRMETRVPBVNFD-GOEBONIOSA-N 2 0 283.460 1.416 50 0 CDAARP c1cncc(CN2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000097766852 358798014 /nfs/dbraw/zinc/79/80/14/358798014.db2.gz ATFCXTIPWYGGOR-INIZCTEOSA-N 2 0 275.396 1.768 50 0 CDAARP C[NH+](C)C[C@]1(CO)CCCN(Cc2ccoc2)C1 ZINC000216320495 358937299 /nfs/dbraw/zinc/93/72/99/358937299.db2.gz HMQWMHANIDVGEF-CQSZACIVSA-N 2 0 252.358 1.416 50 0 CDAARP COCC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2C)CC1 ZINC000089534586 360358666 /nfs/dbraw/zinc/35/86/66/360358666.db2.gz YWPQGJTUXUJMKD-UHFFFAOYSA-N 2 0 266.389 1.166 50 0 CDAARP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+]Cc1c(F)cccc1Cl ZINC000072161032 176329990 /nfs/dbraw/zinc/32/99/90/176329990.db2.gz FVHCIGDKNSNFRC-TVQRCGJNSA-N 2 0 272.751 1.539 50 0 CDAARP OCc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)o1 ZINC000072172601 176333663 /nfs/dbraw/zinc/33/36/63/176333663.db2.gz ZMMPUXBMNOFYDO-UHFFFAOYSA-N 2 0 264.369 1.738 50 0 CDAARP CC[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC[NH+](C)CC1 ZINC000822718134 925647543 /nfs/dbraw/zinc/64/75/43/925647543.db2.gz OZDCEQMPELCORB-HNNXBMFYSA-N 2 0 281.444 1.709 50 0 CDAARP CCO[C@H]1C[N@H+](C)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000823350065 925686607 /nfs/dbraw/zinc/68/66/07/925686607.db2.gz DDKNMYZXVCSYCS-KBPBESRZSA-N 2 0 283.460 1.604 50 0 CDAARP Cn1ccnc1CC[N@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690094 925721710 /nfs/dbraw/zinc/72/17/10/925721710.db2.gz LWZVJURFZRPMHE-CYBMUJFWSA-N 2 0 264.417 1.625 50 0 CDAARP [NH3+]CCNCCOCCOc1cccc(Cl)c1 ZINC000019772530 935720138 /nfs/dbraw/zinc/72/01/38/935720138.db2.gz HADXOPNNRYPLTP-UHFFFAOYSA-N 2 0 258.749 1.284 50 0 CDAARP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000095967794 185046971 /nfs/dbraw/zinc/04/69/71/185046971.db2.gz HYTQJQCEXUVJFB-GJZGRUSLSA-N 2 0 293.430 1.982 50 0 CDAARP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000091394228 180145491 /nfs/dbraw/zinc/14/54/91/180145491.db2.gz JFVQQBOBSJMSDM-GJZGRUSLSA-N 2 0 275.396 1.629 50 0 CDAARP OCC[NH+]1CCC(CCCC2CC[NH2+]CC2)CC1 ZINC000000394422 355908722 /nfs/dbraw/zinc/90/87/22/355908722.db2.gz KTRJPKYFFZFQJB-UHFFFAOYSA-N 2 0 254.418 1.861 50 0 CDAARP COc1ccc(C[NH2+]CC2CC[NH2+]CC2)c(OC)c1OC ZINC000010434708 356258213 /nfs/dbraw/zinc/25/82/13/356258213.db2.gz VEDZLWIRSCTTIV-UHFFFAOYSA-N 2 0 294.395 1.802 50 0 CDAARP c1ccc(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000019371848 356484029 /nfs/dbraw/zinc/48/40/29/356484029.db2.gz MDLTWIOGYBLZDN-UHFFFAOYSA-N 2 0 259.397 1.556 50 0 CDAARP Cc1cccc([C@H](CN2CC[NH+](CCO)CC2)[NH+](C)C)c1 ZINC000019742765 356499088 /nfs/dbraw/zinc/49/90/88/356499088.db2.gz PYXIKMUEGLBJKH-KRWDZBQOSA-N 2 0 291.439 1.208 50 0 CDAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261709167 359550652 /nfs/dbraw/zinc/55/06/52/359550652.db2.gz MHHISMLNTUUUNR-BZUAXINKSA-N 2 0 293.455 1.851 50 0 CDAARP CC[N@@H+]1CC[C@H](c2nnc3n2CC[NH+](CC(C)C)CC3)C1 ZINC000257187205 359529002 /nfs/dbraw/zinc/52/90/02/359529002.db2.gz ABKCPQZKXDBCLL-AWEZNQCLSA-N 2 0 291.443 1.601 50 0 CDAARP Cc1nc(CC[NH3+])cc(N(C)C[C@@]2(C)CC[N@H+](C)C2)n1 ZINC000067754559 359705831 /nfs/dbraw/zinc/70/58/31/359705831.db2.gz SDRLXPYHSXNDFN-HNNXBMFYSA-N 2 0 277.416 1.064 50 0 CDAARP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000299740136 375201820 /nfs/dbraw/zinc/20/18/20/375201820.db2.gz WEEYJRVVIVIRKZ-UKRRQHHQSA-N 2 0 275.396 1.487 50 0 CDAARP Cc1cc(N2C[C@H]([NH3+])[C@@H](C(C)C)C2)nc(N2CCCC2)[nH+]1 ZINC000091444677 390889830 /nfs/dbraw/zinc/88/98/30/390889830.db2.gz KTSUNYRGICMNRW-KGLIPLIRSA-N 2 0 289.427 1.805 50 0 CDAARP O=C1OCCN1CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067885833 175799943 /nfs/dbraw/zinc/79/99/43/175799943.db2.gz PMFPLXJPBXASLQ-UHFFFAOYSA-N 2 0 281.400 1.341 50 0 CDAARP C[NH+]1CCN(C2(C[NH2+][C@H]3CCSC3)CCCC2)CC1 ZINC000534577665 328310426 /nfs/dbraw/zinc/31/04/26/328310426.db2.gz FTLGSKUOURQABQ-AWEZNQCLSA-N 2 0 283.485 1.642 50 0 CDAARP C[NH2+]CC1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC000534640771 328336089 /nfs/dbraw/zinc/33/60/89/328336089.db2.gz AOVJIZPQHUYQMS-UHFFFAOYSA-N 2 0 258.369 1.994 50 0 CDAARP c1cn(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000678884029 483210589 /nfs/dbraw/zinc/21/05/89/483210589.db2.gz DKEONWVUWXPZTA-UHFFFAOYSA-N 2 0 271.368 1.490 50 0 CDAARP