smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(N2CC[NH2+]CC2)nc(N2CC[NH2+]CC2)n1 ZINC000000190743 132313048 /nfs/dbraw/zinc/31/30/48/132313048.db2.gz DFWOUSSTLCHQHL-UHFFFAOYSA-N 2 0 248.334 -0.704 50 0 BBAARP C[NH+]1CCOCC[NH+](C)CCOCC1 ZINC000000242351 173098758 /nfs/dbraw/zinc/09/87/58/173098758.db2.gz RGDWYHPHCVBFQJ-UHFFFAOYSA-N 2 0 202.298 -0.103 50 0 BBAARP [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000001532734 181382533 /nfs/dbraw/zinc/38/25/33/181382533.db2.gz PFNFFQXMRSDOHW-UHFFFAOYSA-N 4 0 202.346 -0.357 50 0 endogenous,world BBAARP C[NH2+]CCOCCOCCOCC[NH2+]C ZINC000002023700 173357010 /nfs/dbraw/zinc/35/70/10/173357010.db2.gz DQWNGAQNIKMWBO-UHFFFAOYSA-N 2 0 220.313 -0.525 50 0 BBAARP [NH3+]CCCOCCOCCOCCC[NH3+] ZINC000002037981 181382993 /nfs/dbraw/zinc/38/29/93/181382993.db2.gz JCEZOHLWDIONSP-UHFFFAOYSA-N 2 0 220.313 -0.266 50 0 BBAARP CN(C[C@@H](O)C[NH+]1CCCCC1)C[C@@H](O)C[NH3+] ZINC000002924337 631979974 /nfs/dbraw/zinc/97/99/74/631979974.db2.gz JQNGYSHBTOYTNG-NWDGAFQWSA-N 2 0 245.367 -0.915 50 0 BBAARP CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000003870097 187247254 /nfs/dbraw/zinc/24/72/54/187247254.db2.gz GUNURVWAJRRUAV-UHFFFAOYSA-N 3 0 244.383 -0.179 50 0 endogenous,in-man BBAARP C1COCC[NH2+]CCOCCOCC[NH2+]1 ZINC000003882163 188101819 /nfs/dbraw/zinc/10/18/19/188101819.db2.gz STHIZMRUXPMSCW-UHFFFAOYSA-N 2 0 218.297 -0.771 50 0 BBAARP NC(=[NH2+])NC(=[NH2+])Nn1cnc2ccccc21 ZINC000004112789 181188936 /nfs/dbraw/zinc/18/89/36/181188936.db2.gz KLKGKRILSQNKMH-UHFFFAOYSA-N 2 0 217.236 -0.002 50 0 BBAARP CC[C@H](CO)NCC[NH2+][C@@H](CC)CO ZINC000006411960 384152669 /nfs/dbraw/zinc/15/26/69/384152669.db2.gz AEUTYOVWOVBAKS-AOOOYVTPSA-N 2 0 204.314 -0.293 50 0 investigational BBAARP CN(C[C@H](O)C[NH3+])C[C@@H](O)C[NH+]1CCCCC1 ZINC000013110869 642831140 /nfs/dbraw/zinc/83/11/40/642831140.db2.gz JQNGYSHBTOYTNG-VXGBXAGGSA-N 2 0 245.367 -0.915 50 0 BBAARP [NH3+]CCCN1CCN(CCC[NH3+])CC1 ZINC000019230145 181381420 /nfs/dbraw/zinc/38/14/20/181381420.db2.gz XUSNPFGLKGCWGN-UHFFFAOYSA-N 2 0 200.330 -0.698 50 0 BBAARP C[NH+](C)CCN(CC[NH+](C)C)CC[NH+](C)C ZINC000019365397 384515455 /nfs/dbraw/zinc/51/54/55/384515455.db2.gz VMGSQCIDWAUGLQ-UHFFFAOYSA-N 3 0 230.400 -0.027 50 0 BBAARP CN(CCN(C)CC[NH+](C)C)CC[NH+](C)C ZINC000019365690 384514880 /nfs/dbraw/zinc/51/48/80/384514880.db2.gz DWFKOMDBEKIATP-UHFFFAOYSA-N 2 0 230.400 -0.027 50 0 BBAARP C[NH2+]CCCNCC[NH2+]CCC[NH2+]C ZINC000019367489 173348607 /nfs/dbraw/zinc/34/86/07/173348607.db2.gz DPOMNHXIZQXWGJ-UHFFFAOYSA-N 3 0 202.346 -0.615 50 0 BBAARP C[NH+](C)C[C@@]1(O)C2CN3CC1(C)C[N@H+](C2)CC3 ZINC000019370079 384519751 /nfs/dbraw/zinc/51/97/51/384519751.db2.gz QNHOYBMPLBGOPW-WXRRBKDZSA-N 2 0 239.363 -0.454 50 0 BBAARP C[NH+]1CCC(C[NH3+])(N2CCOCC2)CC1 ZINC000019480802 342949579 /nfs/dbraw/zinc/94/95/79/342949579.db2.gz BSIAZGAQJWMPKR-UHFFFAOYSA-N 2 0 213.325 -0.258 50 0 BBAARP CC(=O)N1CCN(C2CC[NH2+]CC2)CC1 ZINC000019504848 187317468 /nfs/dbraw/zinc/31/74/68/187317468.db2.gz RVSCLCNGLFKLPR-UHFFFAOYSA-N 2 0 211.309 -0.098 50 0 BBAARP O=C(CC[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000019685408 342953674 /nfs/dbraw/zinc/95/36/74/342953674.db2.gz CEMUYKJDTYDDLO-UHFFFAOYSA-N 2 0 211.309 -0.096 50 0 BBAARP OC1(C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000019685492 183019010 /nfs/dbraw/zinc/01/90/10/183019010.db2.gz JRYVVPHRJPUIMM-UHFFFAOYSA-N 2 0 200.282 -0.567 50 0 BBAARP NC(=O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000019686338 181216827 /nfs/dbraw/zinc/21/68/27/181216827.db2.gz FGXRMJQHFMLWDT-UHFFFAOYSA-N 2 0 211.309 -0.064 50 0 BBAARP [NH3+]CCCC[NH+]1CCN(CCO)CC1 ZINC000019794293 181375998 /nfs/dbraw/zinc/37/59/98/181375998.db2.gz TUKFFSGMQJSJQQ-UHFFFAOYSA-N 2 0 201.314 -0.665 50 0 BBAARP C1CNCC[NH2+]CCCNCC[NH2+]C1 ZINC000019942876 187253258 /nfs/dbraw/zinc/25/32/58/187253258.db2.gz MDAXKAUIABOHTD-UHFFFAOYSA-N 2 0 200.330 -0.861 50 0 in-vivo BBAARP CC1CC[NH+]([C@H]2[C@@H](C[NH3+])O[C@@H](CO)[C@H]2O)CC1 ZINC000020465975 168185405 /nfs/dbraw/zinc/18/54/05/168185405.db2.gz UFJYWXGQJJEDCO-NOOOWODRSA-N 2 0 244.335 -0.834 50 0 biogenic,in-vitro BBAARP OCC[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000021953565 183074261 /nfs/dbraw/zinc/07/42/61/183074261.db2.gz YNGKKJBRHMCKAO-UHFFFAOYSA-N 2 0 213.325 -0.652 50 0 BBAARP C[NH+](C)C[C@]1(O)C2CN3CC1(C)C[N@H+](C2)CC3 ZINC000022027463 384722532 /nfs/dbraw/zinc/72/25/32/384722532.db2.gz QNHOYBMPLBGOPW-BPCQOVAHSA-N 2 0 239.363 -0.454 50 0 BBAARP C[NH2+]C[C@H](O)COCCC[NH+]1CCN(C)CC1 ZINC000022035210 643405022 /nfs/dbraw/zinc/40/50/22/643405022.db2.gz HJSHCQWXCIHIRQ-LBPRGKRZSA-N 2 0 245.367 -0.779 50 0 BBAARP C[NH2+]C[C@@H](O)COCCC[NH+]1CCN(C)CC1 ZINC000022035214 643405236 /nfs/dbraw/zinc/40/52/36/643405236.db2.gz HJSHCQWXCIHIRQ-GFCCVEGCSA-N 2 0 245.367 -0.779 50 0 BBAARP CC[NH2+]C[C@@H](O)CNC[C@@H](O)C[NH+](CC)CC ZINC000022205815 643538342 /nfs/dbraw/zinc/53/83/42/643538342.db2.gz ASJSPZSRMUGQFG-VXGBXAGGSA-N 2 0 247.383 -0.751 50 0 BBAARP CC[NH2+]C[C@H](O)CNC[C@@H](O)C[NH+](CC)CC ZINC000022205818 643538684 /nfs/dbraw/zinc/53/86/84/643538684.db2.gz ASJSPZSRMUGQFG-NWDGAFQWSA-N 2 0 247.383 -0.751 50 0 BBAARP CC[NH2+]C[C@@H](O)CNC[C@H](O)C[NH+](CC)CC ZINC000022205821 643539462 /nfs/dbraw/zinc/53/94/62/643539462.db2.gz ASJSPZSRMUGQFG-NEPJUHHUSA-N 2 0 247.383 -0.751 50 0 BBAARP CC[NH2+]C[C@H](O)CNC[C@H](O)C[NH+](CC)CC ZINC000022205824 635748723 /nfs/dbraw/zinc/74/87/23/635748723.db2.gz ASJSPZSRMUGQFG-RYUDHWBXSA-N 2 0 247.383 -0.751 50 0 BBAARP CN1CCC[NH2+]CCN(C)CCC[NH2+]CC1 ZINC000022778141 173019792 /nfs/dbraw/zinc/01/97/92/173019792.db2.gz BNLDMZVBFXARKJ-UHFFFAOYSA-N 2 0 228.384 -0.177 50 0 BBAARP [NH3+]CC(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000026476570 181348896 /nfs/dbraw/zinc/34/88/96/181348896.db2.gz OXTUGBRDBVMWTB-UHFFFAOYSA-N 2 0 249.318 -0.668 50 0 BBAARP [NH3+]CCN1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000026476579 181392005 /nfs/dbraw/zinc/39/20/05/181392005.db2.gz XVANJTJARKUDDP-UHFFFAOYSA-N 2 0 235.335 -0.195 50 0 BBAARP [NH3+]CCCC[NH2+]CCCNCCC[NH3+] ZINC000027564039 181377772 /nfs/dbraw/zinc/37/77/72/181377772.db2.gz DODDBCGMRAFLEB-UHFFFAOYSA-N 3 0 202.346 -0.357 50 0 in-vitro BBAARP [NH3+]CC(=O)Nc1cccc(NC(=O)C[NH3+])c1 ZINC000032594169 181354933 /nfs/dbraw/zinc/35/49/33/181354933.db2.gz KZJQGCYRXSDAOY-UHFFFAOYSA-N 2 0 222.248 -0.519 50 0 BBAARP C[NH+](C)CCN(CCC[NH3+])CCC[NH3+] ZINC000033605168 386379301 /nfs/dbraw/zinc/37/93/01/386379301.db2.gz YCWVTMPODMQZHM-UHFFFAOYSA-N 3 0 202.346 -0.452 50 0 BBAARP CN1CC[NH+](C)CCN(C)CC[NH+](C)CC1 ZINC000033806361 173072561 /nfs/dbraw/zinc/07/25/61/173072561.db2.gz STYFDKOQURBOGQ-UHFFFAOYSA-N 2 0 228.384 -0.273 50 0 BBAARP CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000034211689 173019199 /nfs/dbraw/zinc/01/91/99/173019199.db2.gz GWXSMIOWBINEFF-UHFFFAOYSA-N 2 0 214.357 -0.519 50 0 BBAARP CN(CCC[NH3+])CC[N@H+](C)CCC[NH3+] ZINC000034478996 343271981 /nfs/dbraw/zinc/27/19/81/343271981.db2.gz COJUXMTZOSXAOW-UHFFFAOYSA-N 3 0 202.346 -0.452 50 0 BBAARP CN1CCC[NH2+]CCNCCC[N@H+](C)CC1 ZINC000034570088 173019243 /nfs/dbraw/zinc/01/92/43/173019243.db2.gz AYKDNFDLJNYIDG-UHFFFAOYSA-N 2 0 228.384 -0.177 50 0 BBAARP [NH3+]CCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000039019696 368376466 /nfs/dbraw/zinc/37/64/66/368376466.db2.gz ZJVJTZIVIRBPSA-UHFFFAOYSA-N 2 0 226.324 -0.175 50 0 BBAARP CC1(C)CNCC[NH2+]CCNCC[NH2+]C1 ZINC000039271172 343123619 /nfs/dbraw/zinc/12/36/19/343123619.db2.gz KUSYMMMZZILDBO-UHFFFAOYSA-N 2 0 214.357 -0.615 50 0 BBAARP C[NH+](C)CCN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000040450020 384152827 /nfs/dbraw/zinc/15/28/27/384152827.db2.gz MOXXREGRCJEQMO-UHFFFAOYSA-N 2 0 240.307 -0.778 50 0 BBAARP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000040503624 358902854 /nfs/dbraw/zinc/90/28/54/358902854.db2.gz ASEMRJAIODUTJP-DCAQKATOSA-N 2 0 241.335 -0.690 50 0 BBAARP OCC[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000042783257 183075103 /nfs/dbraw/zinc/07/51/03/183075103.db2.gz GQGQRUAAJIJXFP-LBPRGKRZSA-N 2 0 227.352 -0.404 50 0 BBAARP OCC[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000042783258 183073728 /nfs/dbraw/zinc/07/37/28/183073728.db2.gz GQGQRUAAJIJXFP-GFCCVEGCSA-N 2 0 227.352 -0.404 50 0 BBAARP OCCN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000042783266 183074353 /nfs/dbraw/zinc/07/43/53/183074353.db2.gz MUEZSGPJQYCAGZ-UHFFFAOYSA-N 2 0 227.352 -0.404 50 0 BBAARP OCC[NH+]1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000042783282 183073838 /nfs/dbraw/zinc/07/38/38/183073838.db2.gz IZLYQVHQKIPFEI-NSHDSACASA-N 2 0 213.325 -0.652 50 0 BBAARP OCC[NH+]1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000042783283 183074255 /nfs/dbraw/zinc/07/42/55/183074255.db2.gz IZLYQVHQKIPFEI-LLVKDONJSA-N 2 0 213.325 -0.652 50 0 BBAARP OCCN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000042783377 183073866 /nfs/dbraw/zinc/07/38/66/183073866.db2.gz AIIPLPSCRFMALF-CYBMUJFWSA-N 2 0 241.379 -0.014 50 0 BBAARP OCCN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000042783378 183075012 /nfs/dbraw/zinc/07/50/12/183075012.db2.gz AIIPLPSCRFMALF-ZDUSSCGKSA-N 2 0 241.379 -0.014 50 0 BBAARP OCCN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000042783395 183075426 /nfs/dbraw/zinc/07/54/26/183075426.db2.gz FFYMCZCCWMRPMS-UHFFFAOYSA-N 2 0 241.379 -0.014 50 0 BBAARP OCC[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000042783430 183073711 /nfs/dbraw/zinc/07/37/11/183073711.db2.gz LTMYRSWAKZVHBJ-LLVKDONJSA-N 2 0 213.325 -0.794 50 0 BBAARP OCC[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000042783431 183074558 /nfs/dbraw/zinc/07/45/58/183074558.db2.gz LTMYRSWAKZVHBJ-NSHDSACASA-N 2 0 213.325 -0.794 50 0 BBAARP OCC[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000042783466 183075549 /nfs/dbraw/zinc/07/55/49/183075549.db2.gz FLSMQXBAYZOYPO-LLVKDONJSA-N 2 0 213.325 -0.652 50 0 BBAARP OCC[NH+]1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000042783467 183074033 /nfs/dbraw/zinc/07/40/33/183074033.db2.gz FLSMQXBAYZOYPO-NSHDSACASA-N 2 0 213.325 -0.652 50 0 BBAARP C[NH+](C)CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783968 384244889 /nfs/dbraw/zinc/24/48/89/384244889.db2.gz UWDIOKUWNYCUKT-UHFFFAOYSA-N 2 0 237.307 -0.653 50 0 BBAARP C[N@@H+]1CCC[C@@H](CN[C@@H]2CC(=O)NC2=O)C1 ZINC000044535905 187293223 /nfs/dbraw/zinc/29/32/23/187293223.db2.gz DTKYWPRTVGAMRO-DTWKUNHWSA-N 2 0 225.292 -0.667 50 0 BBAARP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000049575495 182185284 /nfs/dbraw/zinc/18/52/84/182185284.db2.gz XMQJPUKDKAHFOP-QWRGUYRKSA-N 2 0 241.335 -0.689 50 0 BBAARP O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000049575496 182185156 /nfs/dbraw/zinc/18/51/56/182185156.db2.gz XMQJPUKDKAHFOP-WDEREUQCSA-N 2 0 241.335 -0.689 50 0 BBAARP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000049575497 182184469 /nfs/dbraw/zinc/18/44/69/182184469.db2.gz XMQJPUKDKAHFOP-MNOVXSKESA-N 2 0 241.335 -0.689 50 0 BBAARP O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000049575498 182185104 /nfs/dbraw/zinc/18/51/04/182185104.db2.gz XMQJPUKDKAHFOP-GHMZBOCLSA-N 2 0 241.335 -0.689 50 0 BBAARP CN(C[C@H](O)C[NH3+])C[C@H](O)C[NH+]1CCCCC1 ZINC000059955155 172823197 /nfs/dbraw/zinc/82/31/97/172823197.db2.gz JQNGYSHBTOYTNG-NEPJUHHUSA-N 2 0 245.367 -0.915 50 0 BBAARP CN(C[C@@H](O)C[NH3+])C[C@H](O)C[NH+]1CCCCC1 ZINC000059955160 640841036 /nfs/dbraw/zinc/84/10/36/640841036.db2.gz JQNGYSHBTOYTNG-RYUDHWBXSA-N 2 0 245.367 -0.915 50 0 BBAARP COCC[N@H+](C)CCN1C[C@H]([NH3+])CC1=O ZINC000061380377 174276334 /nfs/dbraw/zinc/27/63/34/174276334.db2.gz ZYSIUWDCNOZLGS-SECBINFHSA-N 2 0 215.297 -0.876 50 0 BBAARP COCC[N@H+](C)CCN1C[C@@H]([NH3+])CC1=O ZINC000061380380 174274638 /nfs/dbraw/zinc/27/46/38/174274638.db2.gz ZYSIUWDCNOZLGS-VIFPVBQESA-N 2 0 215.297 -0.876 50 0 BBAARP CCCOCCNC(=O)C12C[NH2+]CC1C[NH2+]C2 ZINC000065422366 169309025 /nfs/dbraw/zinc/30/90/25/169309025.db2.gz LGQXDPRWZYSVEO-UHFFFAOYSA-N 2 0 241.335 -0.662 50 0 BBAARP C[N@@H+]1CCC2(C1)CC[NH+](C(CO)CO)CC2 ZINC000065527334 173003537 /nfs/dbraw/zinc/00/35/37/173003537.db2.gz PIDQAFRUIUHXNH-UHFFFAOYSA-N 2 0 228.336 -0.243 50 0 BBAARP [NH3+][C@H]1CCN(c2ncnc3c2CC[NH2+]C3)C1 ZINC000067867542 383954024 /nfs/dbraw/zinc/95/40/24/383954024.db2.gz HSUABPVJIUBIOF-QMMMGPOBSA-N 2 0 219.292 -0.340 50 0 BBAARP [NH3+][C@@H]1CCN(c2ncnc3c2CC[NH2+]C3)C1 ZINC000067867544 383952366 /nfs/dbraw/zinc/95/23/66/383952366.db2.gz HSUABPVJIUBIOF-MRVPVSSYSA-N 2 0 219.292 -0.340 50 0 BBAARP C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000067965912 173146012 /nfs/dbraw/zinc/14/60/12/173146012.db2.gz JONCFSJDCKYXSR-SECBINFHSA-N 2 0 211.309 -0.064 50 0 BBAARP C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000067965915 173115942 /nfs/dbraw/zinc/11/59/42/173115942.db2.gz JONCFSJDCKYXSR-VIFPVBQESA-N 2 0 211.309 -0.064 50 0 BBAARP C1CNCC[NH2+]CCNCCC[NH2+]C1 ZINC000068604291 187272500 /nfs/dbraw/zinc/27/25/00/187272500.db2.gz YDVODBIDDSGKAD-UHFFFAOYSA-N 2 0 200.330 -0.861 50 0 BBAARP C[NH2+]CCNCCCN(C)CC[NH2+]C ZINC000068604317 173355632 /nfs/dbraw/zinc/35/56/32/173355632.db2.gz ITDSSLRLBSRUBK-UHFFFAOYSA-N 2 0 202.346 -0.663 50 0 BBAARP CC1(C)/C=N/CC[NH2+]CCNCC[NH2+]C1 ZINC000068604790 187441671 /nfs/dbraw/zinc/44/16/71/187441671.db2.gz WLVYVALLBUFJJH-NTEUORMPSA-N 2 0 212.341 -0.134 50 0 BBAARP CN1CCC[NH+]2CCN(CC2)CCC[NH2+]CC1 ZINC000068606265 173019154 /nfs/dbraw/zinc/01/91/54/173019154.db2.gz UQIMIDMBVNRJJM-UHFFFAOYSA-N 2 0 240.395 -0.081 50 0 BBAARP C[C@@H]1CCNCC[NH2+][C@H](C)CCNCC[NH2+]1 ZINC000068606291 176185674 /nfs/dbraw/zinc/18/56/74/176185674.db2.gz ZATMZFRYHBHNEA-VXGBXAGGSA-N 2 0 228.384 -0.084 50 0 BBAARP C[C@@H]1CCNCC[NH2+][C@@H](C)CCNCC[NH2+]1 ZINC000068606295 177174786 /nfs/dbraw/zinc/17/47/86/177174786.db2.gz ZATMZFRYHBHNEA-TXEJJXNPSA-N 2 0 228.384 -0.084 50 0 BBAARP C[C@H]1CCNCC[NH2+][C@@H](C)CCNCC[NH2+]1 ZINC000068606296 177174440 /nfs/dbraw/zinc/17/44/40/177174440.db2.gz ZATMZFRYHBHNEA-RYUDHWBXSA-N 2 0 228.384 -0.084 50 0 BBAARP CC(C)C[N@@H+]1CCO[C@H](CNC2=[NH+]CCN2)C1 ZINC000069843343 373876772 /nfs/dbraw/zinc/87/67/72/373876772.db2.gz WCCSWMQOBDYCBW-LLVKDONJSA-N 2 0 240.351 -0.108 50 0 BBAARP CC(C)C[N@@H+]1CCO[C@@H](CNC2=[NH+]CCN2)C1 ZINC000069843345 373877295 /nfs/dbraw/zinc/87/72/95/373877295.db2.gz WCCSWMQOBDYCBW-NSHDSACASA-N 2 0 240.351 -0.108 50 0 BBAARP [NH3+]C1(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000071757007 181325903 /nfs/dbraw/zinc/32/59/03/181325903.db2.gz CMNLAADJWNTFPW-JTQLQIEISA-N 2 0 241.335 -0.559 50 0 BBAARP [NH3+]C1(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000071757008 181325870 /nfs/dbraw/zinc/32/58/70/181325870.db2.gz CMNLAADJWNTFPW-SNVBAGLBSA-N 2 0 241.335 -0.559 50 0 BBAARP CO[C@H]1CN(c2cc(C)[nH+]c(N)n2)CC[C@H]1[NH3+] ZINC000071764302 132395455 /nfs/dbraw/zinc/39/54/55/132395455.db2.gz LUEMRUCZBWJTBW-BDAKNGLRSA-N 2 0 237.307 -0.080 50 0 BBAARP Nc1nc2c(c(N3CCC([NH3+])CC3)n1)CC[NH2+]C2 ZINC000071767763 132395388 /nfs/dbraw/zinc/39/53/88/132395388.db2.gz CTROSXKWNCGLSQ-UHFFFAOYSA-N 2 0 248.334 -0.368 50 0 BBAARP OCC(CO)[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072126631 183033334 /nfs/dbraw/zinc/03/33/34/183033334.db2.gz HYLORRHMXLEOFE-UHFFFAOYSA-N 2 0 228.336 -0.195 50 0 BBAARP C[N@@H+]1CCCN(C[C@]2(O)CC[NH2+]C2)CC1 ZINC000072343591 173016057 /nfs/dbraw/zinc/01/60/57/173016057.db2.gz NRSSNRKWWDIQDY-NSHDSACASA-N 2 0 213.325 -0.652 50 0 BBAARP C[NH+]1CCC(N2CC[NH2+]C[C@@H]2CCO)CC1 ZINC000072408661 643253688 /nfs/dbraw/zinc/25/36/88/643253688.db2.gz SIAMYMKFUORNLW-LBPRGKRZSA-N 2 0 227.352 -0.263 50 0 BBAARP C[NH+]1CCC(N2CC[NH2+]C[C@H]2CCO)CC1 ZINC000072408662 631980435 /nfs/dbraw/zinc/98/04/35/631980435.db2.gz SIAMYMKFUORNLW-GFCCVEGCSA-N 2 0 227.352 -0.263 50 0 BBAARP C[C@@H]1C[NH2+][C@H](C)CN[C@H](C)C[NH2+][C@H](C)CN1 ZINC000077028208 187943018 /nfs/dbraw/zinc/94/30/18/187943018.db2.gz PTXAGLHJWPSGNR-DDHJBXDOSA-N 2 0 228.384 -0.088 50 0 BBAARP C[C@@H]1C[NH2+][C@H](C)CN[C@@H](C)C[NH2+][C@H](C)CN1 ZINC000077028216 177286756 /nfs/dbraw/zinc/28/67/56/177286756.db2.gz PTXAGLHJWPSGNR-KKOKHZNYSA-N 2 0 228.384 -0.088 50 0 BBAARP C[C@@H]1C[NH2+][C@H](C)CN[C@@H](C)C[NH2+][C@@H](C)CN1 ZINC000077028219 388673116 /nfs/dbraw/zinc/67/31/16/388673116.db2.gz PTXAGLHJWPSGNR-HUVAQWKNSA-N 2 0 228.384 -0.088 50 0 BBAARP [NH3+]CCC[NH+](CCC[NH3+])CCC(=O)[O-] ZINC000078311249 181379371 /nfs/dbraw/zinc/37/93/71/181379371.db2.gz KOFMPLVZLXBEHF-UHFFFAOYSA-N 2 0 203.286 -0.539 50 0 BBAARP [NH3+]C[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000090225817 384035173 /nfs/dbraw/zinc/03/51/73/384035173.db2.gz GAOQIWJEVUOIFM-NSHDSACASA-N 2 0 213.325 -0.401 50 0 BBAARP [NH3+]C[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000090225818 384036954 /nfs/dbraw/zinc/03/69/54/384036954.db2.gz GAOQIWJEVUOIFM-LLVKDONJSA-N 2 0 213.325 -0.401 50 0 BBAARP OCC[NH+]1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000091243640 183074650 /nfs/dbraw/zinc/07/46/50/183074650.db2.gz QRJIKCZBOWWCMV-LBPRGKRZSA-N 2 0 227.352 -0.262 50 0 BBAARP OCC[NH+]1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000091243641 183073632 /nfs/dbraw/zinc/07/36/32/183073632.db2.gz QRJIKCZBOWWCMV-GFCCVEGCSA-N 2 0 227.352 -0.262 50 0 BBAARP [NH3+]CCc1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000091723853 384141040 /nfs/dbraw/zinc/14/10/40/384141040.db2.gz RWFFRTLYWXYVCK-BDAKNGLRSA-N 2 0 237.307 -0.158 50 0 BBAARP [NH3+]CCc1nnc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000091723855 384141283 /nfs/dbraw/zinc/14/12/83/384141283.db2.gz RWFFRTLYWXYVCK-IUCAKERBSA-N 2 0 237.307 -0.158 50 0 BBAARP [NH3+]CCc1nnc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000091723857 384141094 /nfs/dbraw/zinc/14/10/94/384141094.db2.gz RWFFRTLYWXYVCK-RKDXNWHRSA-N 2 0 237.307 -0.158 50 0 BBAARP [NH3+]CCc1nnc([C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000091723860 384140029 /nfs/dbraw/zinc/14/00/29/384140029.db2.gz RWFFRTLYWXYVCK-DTWKUNHWSA-N 2 0 237.307 -0.158 50 0 BBAARP C1CNCCC[NH2+]CCNCCC[NH2+]C1 ZINC000095470489 384377133 /nfs/dbraw/zinc/37/71/33/384377133.db2.gz KUFDRRWNPNXBRF-UHFFFAOYSA-N 2 0 214.357 -0.471 50 0 BBAARP CC(C)(C)OC(=O)NCCN(CC[NH3+])CC[NH3+] ZINC000095495834 384377846 /nfs/dbraw/zinc/37/78/46/384377846.db2.gz BVAMRLJEVWHBGG-UHFFFAOYSA-N 2 0 246.355 -0.270 50 0 BBAARP CC1(C)/C=N\CC[NH2+]CCNCC[NH2+]C1 ZINC000100644627 384649522 /nfs/dbraw/zinc/64/95/22/384649522.db2.gz WLVYVALLBUFJJH-ZROIWOOFSA-N 2 0 212.341 -0.134 50 0 BBAARP C[N@@H+]1CCCN(C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000101654119 173017800 /nfs/dbraw/zinc/01/78/00/173017800.db2.gz NRSSNRKWWDIQDY-LLVKDONJSA-N 2 0 213.325 -0.652 50 0 BBAARP C[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000157336632 387785993 /nfs/dbraw/zinc/78/59/93/387785993.db2.gz OYGUCXZPLVFBNB-DTWKUNHWSA-N 2 0 215.297 -0.877 50 0 BBAARP C[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000157336787 387785883 /nfs/dbraw/zinc/78/58/83/387785883.db2.gz OYGUCXZPLVFBNB-RKDXNWHRSA-N 2 0 215.297 -0.877 50 0 BBAARP C[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000157336932 387787208 /nfs/dbraw/zinc/78/72/08/387787208.db2.gz OYGUCXZPLVFBNB-IUCAKERBSA-N 2 0 215.297 -0.877 50 0 BBAARP C[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000157337080 387786761 /nfs/dbraw/zinc/78/67/61/387786761.db2.gz OYGUCXZPLVFBNB-BDAKNGLRSA-N 2 0 215.297 -0.877 50 0 BBAARP COCCN1[C@H](C)CN(C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000157966488 344140598 /nfs/dbraw/zinc/14/05/98/344140598.db2.gz HBYDEZYLVMFSEB-GMTAPVOTSA-N 2 0 243.351 -0.099 50 0 BBAARP C[NH+](C)C[C@@H]1CN(c2ncccn2)C[C@H]1[NH3+] ZINC000169676086 387853337 /nfs/dbraw/zinc/85/33/37/387853337.db2.gz RSVRBCSHEBACHQ-NXEZZACHSA-N 2 0 221.308 -0.198 50 0 BBAARP O=C1NCC[N@@H+]2CC3(C[C@H]12)CC[NH2+]CC3 ZINC000169676585 182805491 /nfs/dbraw/zinc/80/54/91/182805491.db2.gz QWZYNIWOYLOUFD-SECBINFHSA-N 2 0 209.293 -0.440 50 0 BBAARP O=C1NCC[N@@H+]2CC3(C[C@@H]12)CC[NH2+]CC3 ZINC000169676586 385417545 /nfs/dbraw/zinc/41/75/45/385417545.db2.gz QWZYNIWOYLOUFD-VIFPVBQESA-N 2 0 209.293 -0.440 50 0 BBAARP C[NH+](C)C[C@@H]1CN(C2CCOCC2)C[C@H]1[NH3+] ZINC000169676881 387853296 /nfs/dbraw/zinc/85/32/96/387853296.db2.gz KYNYQBZNJCCPSU-ZYHUDNBSSA-N 2 0 227.352 -0.014 50 0 BBAARP CNC(=O)[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](C)CC1 ZINC000169676888 173300506 /nfs/dbraw/zinc/30/05/06/173300506.db2.gz YWKQIYNYANMIGS-WDEREUQCSA-N 2 0 225.336 -0.090 50 0 BBAARP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000188425512 176254777 /nfs/dbraw/zinc/25/47/77/176254777.db2.gz NOAAOIOPCUSYTF-ZJUUUORDSA-N 2 0 211.309 -0.051 50 0 BBAARP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000188425536 176257768 /nfs/dbraw/zinc/25/77/68/176257768.db2.gz NOAAOIOPCUSYTF-NXEZZACHSA-N 2 0 211.309 -0.051 50 0 BBAARP Cc1nc(NCC[NH3+])cc(N2CCOCC2)[nH+]1 ZINC000206579323 384996170 /nfs/dbraw/zinc/99/61/70/384996170.db2.gz DKMGXFHPQIYCFT-UHFFFAOYSA-N 2 0 237.307 -0.008 50 0 BBAARP C[C@@H]1CN[C@@H](C)C[NH2+][C@H](C)CN[C@@H](C)C[NH2+]1 ZINC000206866624 370206869 /nfs/dbraw/zinc/20/68/69/370206869.db2.gz PTXAGLHJWPSGNR-IWDIQUIJSA-N 2 0 228.384 -0.088 50 0 BBAARP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000217921994 134251039 /nfs/dbraw/zinc/25/10/39/134251039.db2.gz ASEMRJAIODUTJP-AXFHLTTASA-N 2 0 241.335 -0.690 50 0 BBAARP Nc1nc(C2CC([NH3+])C2)cc(N2CC[C@H]([NH3+])C2)n1 ZINC000219950661 385950041 /nfs/dbraw/zinc/95/00/41/385950041.db2.gz IUEKJVKXOYMNTL-MGURRDGZSA-N 2 0 248.334 -0.199 50 0 BBAARP COCC[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237148036 174331162 /nfs/dbraw/zinc/33/11/62/174331162.db2.gz OQVCBWIWLKEVHJ-MNOVXSKESA-N 2 0 243.351 -0.192 50 0 BBAARP COCC[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000237148103 174330940 /nfs/dbraw/zinc/33/09/40/174330940.db2.gz OQVCBWIWLKEVHJ-GHMZBOCLSA-N 2 0 243.351 -0.192 50 0 BBAARP COCC[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237150013 174331173 /nfs/dbraw/zinc/33/11/73/174331173.db2.gz OQVCBWIWLKEVHJ-QWRGUYRKSA-N 2 0 243.351 -0.192 50 0 BBAARP COCC[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000237150074 174331146 /nfs/dbraw/zinc/33/11/46/174331146.db2.gz OQVCBWIWLKEVHJ-WDEREUQCSA-N 2 0 243.351 -0.192 50 0 BBAARP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000237196379 386365152 /nfs/dbraw/zinc/36/51/52/386365152.db2.gz QKIJPDBPFIJGCQ-OUAUKWLOSA-N 2 0 241.335 -0.834 50 0 BBAARP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000237201069 387924759 /nfs/dbraw/zinc/92/47/59/387924759.db2.gz QKIJPDBPFIJGCQ-GMTAPVOTSA-N 2 0 241.335 -0.834 50 0 BBAARP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000237621661 177222721 /nfs/dbraw/zinc/22/27/21/177222721.db2.gz NOAAOIOPCUSYTF-UWVGGRQHSA-N 2 0 211.309 -0.051 50 0 BBAARP C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000237630200 177225003 /nfs/dbraw/zinc/22/50/03/177225003.db2.gz NOAAOIOPCUSYTF-VHSXEESVSA-N 2 0 211.309 -0.051 50 0 BBAARP CN1C[C@@H](C[NH3+])OC2(CC[NH+](C)CC2)C1 ZINC000238334612 173001770 /nfs/dbraw/zinc/00/17/70/173001770.db2.gz YLQNPZDZDFBBED-SNVBAGLBSA-N 2 0 213.325 -0.260 50 0 BBAARP CN1C[C@H](C[NH3+])OC2(CC[NH+](C)CC2)C1 ZINC000238334622 173002536 /nfs/dbraw/zinc/00/25/36/173002536.db2.gz YLQNPZDZDFBBED-JTQLQIEISA-N 2 0 213.325 -0.260 50 0 BBAARP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000250194545 135050933 /nfs/dbraw/zinc/05/09/33/135050933.db2.gz ASEMRJAIODUTJP-GARJFASQSA-N 2 0 241.335 -0.690 50 0 BBAARP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000250194551 135050460 /nfs/dbraw/zinc/05/04/60/135050460.db2.gz ASEMRJAIODUTJP-HBNTYKKESA-N 2 0 241.335 -0.690 50 0 BBAARP COCCn1c(C[NH3+])nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000253378489 385673431 /nfs/dbraw/zinc/67/34/31/385673431.db2.gz GKSREMUNCCFYSV-ZKCHVHJHSA-N 2 0 225.296 -0.412 50 0 BBAARP O[C@]1(C[NH2+]C2CCOCC2)CCC[NH2+]C1 ZINC000259064539 631740864 /nfs/dbraw/zinc/74/08/64/631740864.db2.gz CDRYMWKGFRVEDU-LLVKDONJSA-N 2 0 214.309 -0.131 50 0 BBAARP O[C@@]1(C[NH2+]C2CCOCC2)CCC[NH2+]C1 ZINC000259064543 635236183 /nfs/dbraw/zinc/23/61/83/635236183.db2.gz CDRYMWKGFRVEDU-NSHDSACASA-N 2 0 214.309 -0.131 50 0 BBAARP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000299751332 172535092 /nfs/dbraw/zinc/53/50/92/172535092.db2.gz QKIJPDBPFIJGCQ-GARJFASQSA-N 2 0 241.335 -0.834 50 0 BBAARP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000299751333 388845536 /nfs/dbraw/zinc/84/55/36/388845536.db2.gz QKIJPDBPFIJGCQ-HBNTYKKESA-N 2 0 241.335 -0.834 50 0 BBAARP CCOCCN(C)C[C@H](O)C[N@H+](C)CCOC ZINC000310397298 170390580 /nfs/dbraw/zinc/39/05/80/170390580.db2.gz MGOXFIWGJGNTRH-GFCCVEGCSA-N 2 0 248.367 -0.106 50 0 BBAARP CC[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1OC)[NH+](C)C ZINC000408513898 384264515 /nfs/dbraw/zinc/26/45/15/384264515.db2.gz PQVVQZMXIWFYEE-AEJSXWLSSA-N 2 0 229.324 -0.570 50 0 BBAARP CC[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1OC)[NH+](C)C ZINC000408513899 384265537 /nfs/dbraw/zinc/26/55/37/384265537.db2.gz PQVVQZMXIWFYEE-BBBLOLIVSA-N 2 0 229.324 -0.570 50 0 BBAARP CC[C@@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1OC)[NH+](C)C ZINC000408513900 384263495 /nfs/dbraw/zinc/26/34/95/384263495.db2.gz PQVVQZMXIWFYEE-GUBZILKMSA-N 2 0 229.324 -0.570 50 0 BBAARP CC[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1OC)[NH+](C)C ZINC000408513901 535422851 /nfs/dbraw/zinc/42/28/51/535422851.db2.gz PQVVQZMXIWFYEE-UTLUCORTSA-N 2 0 229.324 -0.570 50 0 BBAARP C[NH+](C)C(C)(C)CNC1=[NH+]C[C@@H](O)CN1 ZINC000521396842 259425308 /nfs/dbraw/zinc/42/53/08/259425308.db2.gz HICVPEDBXIRUPL-UHFFFAOYSA-N 2 0 214.313 -0.764 50 0 BBAARP C(NC1=[NH+]CCCCN1)[C@@H]1C[NH+]2CCN1CC2 ZINC000521396903 259304125 /nfs/dbraw/zinc/30/41/25/259304125.db2.gz ABZYULWZPUWMSA-LLVKDONJSA-N 2 0 237.351 -0.685 50 0 BBAARP C(NC1=[NH+]CCCCN1)[C@H]1C[NH+]2CCN1CC2 ZINC000521396904 259303855 /nfs/dbraw/zinc/30/38/55/259303855.db2.gz ABZYULWZPUWMSA-NSHDSACASA-N 2 0 237.351 -0.685 50 0 BBAARP C[NH+]1CCN(c2cc(N)c(N)c[nH+]2)CC1 ZINC000669383021 538006627 /nfs/dbraw/zinc/00/66/27/538006627.db2.gz RXEWJXMBHSAXJN-UHFFFAOYSA-N 2 0 207.281 -0.002 50 0 BBAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CC[NH2+]1 ZINC000670459029 490299429 /nfs/dbraw/zinc/29/94/29/490299429.db2.gz MKTOGAUSGFALBF-LLVKDONJSA-N 2 0 234.303 -0.298 50 0 BBAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CC[NH2+]1 ZINC000670459030 490299533 /nfs/dbraw/zinc/29/95/33/490299533.db2.gz MKTOGAUSGFALBF-NSHDSACASA-N 2 0 234.303 -0.298 50 0 BBAARP C(N1CCC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000725377950 711664748 /nfs/dbraw/zinc/66/47/48/711664748.db2.gz JBUWHNRFZPXYSN-UHFFFAOYSA-N 2 0 212.341 -0.466 50 0 BBAARP C[NH+](C)C1(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000864091411 589343367 /nfs/dbraw/zinc/34/33/67/589343367.db2.gz CVSVVRVXKJUHDY-SECBINFHSA-N 2 0 211.309 -0.051 50 0 BBAARP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000864091412 589343179 /nfs/dbraw/zinc/34/31/79/589343179.db2.gz CVSVVRVXKJUHDY-VIFPVBQESA-N 2 0 211.309 -0.051 50 0 BBAARP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1(O)C[NH2+]C1 ZINC000888096378 635372673 /nfs/dbraw/zinc/37/26/73/635372673.db2.gz FIOSASXHRTZGAX-GXSJLCMTSA-N 2 0 241.335 -0.656 50 0 BBAARP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1(O)C[NH2+]C1 ZINC000888096383 635370702 /nfs/dbraw/zinc/37/07/02/635370702.db2.gz FIOSASXHRTZGAX-KOLCDFICSA-N 2 0 241.335 -0.656 50 0 BBAARP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC1(O)C[NH2+]C1 ZINC000888096384 635370623 /nfs/dbraw/zinc/37/06/23/635370623.db2.gz FIOSASXHRTZGAX-MWLCHTKSSA-N 2 0 241.335 -0.656 50 0 BBAARP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1(O)C[NH2+]C1 ZINC000888096385 635372497 /nfs/dbraw/zinc/37/24/97/635372497.db2.gz FIOSASXHRTZGAX-ONGXEEELSA-N 2 0 241.335 -0.656 50 0 BBAARP CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000952977076 644447914 /nfs/dbraw/zinc/44/79/14/644447914.db2.gz SBXAPWZVBKYBHZ-NSHDSACASA-N 2 0 243.351 -0.489 50 0 BBAARP COC[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527720 644805143 /nfs/dbraw/zinc/80/51/43/644805143.db2.gz FTCALWLVACXBHK-GFMAATOTSA-N 2 0 200.282 -0.394 50 0 BBAARP COC[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527721 644804956 /nfs/dbraw/zinc/80/49/56/644804956.db2.gz FTCALWLVACXBHK-WSSOQDAQSA-N 2 0 200.282 -0.394 50 0 BBAARP COC[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528138 644806002 /nfs/dbraw/zinc/80/60/02/644806002.db2.gz JYAKAXOAAMJNAX-GZBOUJLJSA-N 2 0 214.309 -0.052 50 0 BBAARP COC[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528142 644806155 /nfs/dbraw/zinc/80/61/55/644806155.db2.gz JYAKAXOAAMJNAX-JDUUOCRZSA-N 2 0 214.309 -0.052 50 0 BBAARP [NH3+][C@@H](C1CCOCC1)C1(O)CC[NH2+]CC1 ZINC000958528237 644806591 /nfs/dbraw/zinc/80/65/91/644806591.db2.gz PCHJXNUORWBIFH-JTQLQIEISA-N 2 0 214.309 -0.145 50 0 BBAARP [NH3+][C@H](C1CCOCC1)C1(O)CC[NH2+]CC1 ZINC000958528241 644806152 /nfs/dbraw/zinc/80/61/52/644806152.db2.gz PCHJXNUORWBIFH-SNVBAGLBSA-N 2 0 214.309 -0.145 50 0 BBAARP CC(C)OC[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528375 635550719 /nfs/dbraw/zinc/55/07/19/635550719.db2.gz QILDYWKBGRZTRZ-SECBINFHSA-N 2 0 202.298 -0.147 50 0 BBAARP CC(C)OC[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528376 635551324 /nfs/dbraw/zinc/55/13/24/635551324.db2.gz QILDYWKBGRZTRZ-VIFPVBQESA-N 2 0 202.298 -0.147 50 0 BBAARP Cn1cncc1[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528692 635551822 /nfs/dbraw/zinc/55/18/22/635551822.db2.gz SCPYEBJMBNDTDV-SECBINFHSA-N 2 0 210.281 -0.466 50 0 BBAARP Cn1cncc1[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528693 635550861 /nfs/dbraw/zinc/55/08/61/635550861.db2.gz SCPYEBJMBNDTDV-VIFPVBQESA-N 2 0 210.281 -0.466 50 0 BBAARP [NH3+][C@H](c1cncnc1)C1(O)CC[NH2+]CC1 ZINC000958528734 635551797 /nfs/dbraw/zinc/55/17/97/635551797.db2.gz TXCGGCMQSHWPBC-SECBINFHSA-N 2 0 208.265 -0.409 50 0 BBAARP [NH3+][C@@H](c1cncnc1)C1(O)CC[NH2+]CC1 ZINC000958528735 635550793 /nfs/dbraw/zinc/55/07/93/635550793.db2.gz TXCGGCMQSHWPBC-VIFPVBQESA-N 2 0 208.265 -0.409 50 0 BBAARP CC(C)n1nncc1[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528766 635549572 /nfs/dbraw/zinc/54/95/72/635549572.db2.gz UPCYKVHDBBWUFG-JTQLQIEISA-N 2 0 239.323 -0.027 50 0 BBAARP CC(C)n1nncc1[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528767 635548675 /nfs/dbraw/zinc/54/86/75/635548675.db2.gz UPCYKVHDBBWUFG-SNVBAGLBSA-N 2 0 239.323 -0.027 50 0 BBAARP Cn1nccc1[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528910 635553419 /nfs/dbraw/zinc/55/34/19/635553419.db2.gz YLIKLKLMVYWZHL-SECBINFHSA-N 2 0 210.281 -0.466 50 0 BBAARP Cn1nccc1[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528911 635554580 /nfs/dbraw/zinc/55/45/80/635554580.db2.gz YLIKLKLMVYWZHL-VIFPVBQESA-N 2 0 210.281 -0.466 50 0 BBAARP