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+](CC)C[C@@H](O)C[NH2+]CC(C)C ZINC000005573164 342766347 /nfs/dbraw/zinc/76/63/47/342766347.db2.gz ZIFFYQPJTMNODT-NSHDSACASA-N 2 0 202.342 0.935 40 0 BCABRP C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222572 259320927 /nfs/dbraw/zinc/32/09/27/259320927.db2.gz JUKWGVKRKONDJM-UHFFFAOYSA-N 2 0 234.347 0.861 40 0 BCABRP Cc1cc(N2CC[NH2+]CC2)ncc1C[NH3+] ZINC000072223571 259321533 /nfs/dbraw/zinc/32/15/33/259321533.db2.gz DOYCRYNZENFFMP-UHFFFAOYSA-N 2 0 206.293 0.258 40 0 BCABRP Cc1nc(N2CC[NH+](C)CC2)ccc1C[NH3+] ZINC000072224642 259322160 /nfs/dbraw/zinc/32/21/60/259322160.db2.gz LEPBWUAWBFMTAQ-UHFFFAOYSA-N 2 0 220.320 0.601 40 0 BCABRP CN1CO[C@H](OCC[NH+](C)C)C(C)(C)C1 ZINC000031761362 343223870 /nfs/dbraw/zinc/22/38/70/343223870.db2.gz BGECJYXYCYDGBG-JTQLQIEISA-N 2 0 216.325 0.836 40 0 BCABRP CC(C)N(C(=O)[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000079407310 187263468 /nfs/dbraw/zinc/26/34/68/187263468.db2.gz OOMXNYBMOMDJLN-JTQLQIEISA-N 2 0 227.352 0.665 40 0 BCABRP COC(=O)C[C@@H](C)[NH2+]CCN1CCCC1 ZINC000047219163 343559857 /nfs/dbraw/zinc/55/98/57/343559857.db2.gz NBHLIWJPVRUEJC-SNVBAGLBSA-N 2 0 214.309 0.623 40 0 BCABRP CN(C(=O)[C@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000019473249 343773845 /nfs/dbraw/zinc/77/38/45/343773845.db2.gz VWLJXHIBUDWHQI-GFCCVEGCSA-N 2 0 239.363 0.681 40 0 BCABRP CC(=O)N1CCC([N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000310060007 343790514 /nfs/dbraw/zinc/79/05/14/343790514.db2.gz KPCAPGSRZVXTQD-LBPRGKRZSA-N 2 0 239.363 0.668 40 0 BCABRP C[NH+]1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000409428303 343802964 /nfs/dbraw/zinc/80/29/64/343802964.db2.gz ZPPOYNVNBMASFQ-UHFFFAOYSA-N 2 0 209.297 0.079 40 0 BCABRP CO[C@@H]1CCO[C@]2(CCC[N@H+](CCC[NH3+])C2)C1 ZINC000409426973 343799381 /nfs/dbraw/zinc/79/93/81/343799381.db2.gz DKWDUVJHNCYZOB-CHWSQXEVSA-N 2 0 242.363 0.995 40 0 BCABRP C(C1CC1)[N@@H+]1CCOC[C@H]2C[NH2+]CC[C@H]21 ZINC000409422215 343812921 /nfs/dbraw/zinc/81/29/21/343812921.db2.gz BXMFUKKNXYSGGE-VXGBXAGGSA-N 2 0 210.321 0.707 40 0 BCABRP COCC[N@@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409423614 343815820 /nfs/dbraw/zinc/81/58/20/343815820.db2.gz SZHVOIJXPQICLZ-UHFFFAOYSA-N 2 0 236.315 0.986 40 0 BCABRP C[C@@H](O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409425149 343818280 /nfs/dbraw/zinc/81/82/80/343818280.db2.gz FFFIXTAJALOUFL-MNOVXSKESA-N 2 0 212.337 0.831 40 0 BCABRP [NH3+]CCC[N@@H+]1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409426372 343822587 /nfs/dbraw/zinc/82/25/87/343822587.db2.gz CDUFPKPAHHGJGX-VXGBXAGGSA-N 2 0 212.337 0.820 40 0 BCABRP CCO[C@@H]1CN(CC[NH3+])C[C@@H]1OCC ZINC000409432099 343824973 /nfs/dbraw/zinc/82/49/73/343824973.db2.gz KVQJBSRVOCUECK-AOOOYVTPSA-N 2 0 202.298 0.071 40 0 BCABRP CC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409432026 343825078 /nfs/dbraw/zinc/82/50/78/343825078.db2.gz KNHRFPBYHWYMHA-JQWIXIFHSA-N 2 0 212.337 0.831 40 0 BCABRP CC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409432029 343825254 /nfs/dbraw/zinc/82/52/54/343825254.db2.gz KNHRFPBYHWYMHA-ZYHUDNBSSA-N 2 0 212.337 0.831 40 0 BCABRP O[C@H]1CCO[C@]2(CC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432021 343825312 /nfs/dbraw/zinc/82/53/12/343825312.db2.gz KNFZAUSMOIKRHA-QWHCGFSZSA-N 2 0 240.347 0.354 40 0 BCABRP [NH3+]CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCCC1 ZINC000409441191 343855661 /nfs/dbraw/zinc/85/56/61/343855661.db2.gz NSQGPBFSHAZUEP-VHSXEESVSA-N 2 0 211.309 0.078 40 0 BCABRP CC(C)C[C@H]1CN(CC[NH3+])CC[C@H]1O ZINC000409436053 343836898 /nfs/dbraw/zinc/83/68/98/343836898.db2.gz XVWTZXVRMHWTGH-WDEREUQCSA-N 2 0 200.326 0.674 40 0 BCABRP CCN1C(=[NH2+])NC(=[NH2+])N[C@H]1c1ccccc1 ZINC000001749928 346471432 /nfs/dbraw/zinc/47/14/32/346471432.db2.gz TYHUVOFREWZLOQ-SECBINFHSA-N 2 0 217.276 0.650 40 0 BCABRP CC(C)C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000002599572 346514302 /nfs/dbraw/zinc/51/43/02/346514302.db2.gz ICNAZYFNVCVMRJ-UHFFFAOYSA-N 2 0 213.325 0.135 40 0 BCABRP CC[NH+]1CCC(N2CCC[C@@H]([NH3+])C2)CC1 ZINC000041027580 350406324 /nfs/dbraw/zinc/40/63/24/350406324.db2.gz HGRAFPGWUGENLZ-LLVKDONJSA-N 2 0 211.353 0.894 40 0 BCABRP Cc1nn(C)cc1C[N@H+](C)CCCC[NH3+] ZINC000096523773 180373427 /nfs/dbraw/zinc/37/34/27/180373427.db2.gz CUCDHZGAOYSMGF-UHFFFAOYSA-N 2 0 210.325 0.899 40 0 BCABRP CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079419344 188291701 /nfs/dbraw/zinc/29/17/01/188291701.db2.gz OWHBLDUFFFRUGE-QWRGUYRKSA-N 2 0 227.352 0.713 40 0 BCABRP C[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000237121425 363465933 /nfs/dbraw/zinc/46/59/33/363465933.db2.gz YDPNURNZGXEUBX-LBPRGKRZSA-N 2 0 239.363 0.526 40 0 BCABRP c1cnc(N2CC[NH2+]CC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072216324 259528026 /nfs/dbraw/zinc/52/80/26/259528026.db2.gz CKKABBROOPQCAA-LBPRGKRZSA-N 2 0 232.331 0.916 40 0 BCABRP C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccncc2)C1 ZINC000074188496 369869051 /nfs/dbraw/zinc/86/90/51/369869051.db2.gz DLDOHIRLUOCARN-VXGBXAGGSA-N 2 0 205.305 0.903 40 0 BCABRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000062115079 182621821 /nfs/dbraw/zinc/62/18/21/182621821.db2.gz JVXDUJGYTOSWHO-GFCCVEGCSA-N 2 0 237.347 0.150 40 0 BCABRP CCC[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000019410222 169201928 /nfs/dbraw/zinc/20/19/28/169201928.db2.gz RXRLUKJLBUCGEY-UHFFFAOYSA-N 2 0 239.363 0.540 40 0 BCABRP CO[C@@]1(C(F)(F)F)CCN(CCC[NH3+])C1 ZINC000409434805 383839757 /nfs/dbraw/zinc/83/97/57/383839757.db2.gz QQXSPSAKJAKJGJ-QMMMGPOBSA-N 2 0 226.242 0.988 40 0 BCABRP C[NH+](C)C[C@H]1CC(=O)[C@@H](C[NH+](C)C)CC1=O ZINC000001717765 383928808 /nfs/dbraw/zinc/92/88/08/383928808.db2.gz QINBNIQHVSHFQT-NXEZZACHSA-N 2 0 226.320 0.274 40 0 BCABRP CCN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407239 384134828 /nfs/dbraw/zinc/13/48/28/384134828.db2.gz GHQCYMBMHGDENQ-WDEREUQCSA-N 2 0 227.352 0.524 40 0 BCABRP CN(C(=O)C[NH3+])C1CCC([NH+](C)C)CC1 ZINC000079406831 384135664 /nfs/dbraw/zinc/13/56/64/384135664.db2.gz OLLUJJASVWGFSQ-UHFFFAOYSA-N 2 0 213.325 0.276 40 0 BCABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000079407557 384136117 /nfs/dbraw/zinc/13/61/17/384136117.db2.gz VDXPIBBHZUJSPU-QWRGUYRKSA-N 2 0 227.352 0.522 40 0 BCABRP CCN(C(=O)C[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406913 384137035 /nfs/dbraw/zinc/13/70/35/384137035.db2.gz QXGGMYDCPOVOOW-WDEREUQCSA-N 2 0 227.352 0.666 40 0 BCABRP C[N@H+](CC1CC[NH+](CCO)CC1)C1CC1 ZINC000079418933 384141724 /nfs/dbraw/zinc/14/17/24/384141724.db2.gz IWNWFEQKJPBCNC-UHFFFAOYSA-N 2 0 212.337 0.785 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419492 384142600 /nfs/dbraw/zinc/14/26/00/384142600.db2.gz BXZYKXSUWWNZEA-ONGXEEELSA-N 2 0 225.336 0.419 40 0 BCABRP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419416 384144190 /nfs/dbraw/zinc/14/41/90/384144190.db2.gz IFBTYPAODSZQII-VHSXEESVSA-N 2 0 213.325 0.275 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079419305 384144206 /nfs/dbraw/zinc/14/42/06/384144206.db2.gz NSGQVMJZISJCPI-SNVBAGLBSA-N 2 0 213.325 0.276 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419509 384144235 /nfs/dbraw/zinc/14/42/35/384144235.db2.gz XJEFNDJOLXCQHN-JQWIXIFHSA-N 2 0 239.363 0.809 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419480 384144997 /nfs/dbraw/zinc/14/49/97/384144997.db2.gz VROROZNMFSWNNI-ONGXEEELSA-N 2 0 225.336 0.419 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177537 384283223 /nfs/dbraw/zinc/28/32/23/384283223.db2.gz RJCXBOCPEFGANO-TUAOUCFPSA-N 2 0 241.379 0.959 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407164 384492808 /nfs/dbraw/zinc/49/28/08/384492808.db2.gz BUTQYGAROIBXNU-DCAQKATOSA-N 2 0 227.352 0.665 40 0 BCABRP C[N@@H+]1CCC[C@@H](CN(CC[NH3+])C2CC2)C1 ZINC000079406380 384493232 /nfs/dbraw/zinc/49/32/32/384493232.db2.gz CIALPHFUFRDTKS-LLVKDONJSA-N 2 0 211.353 0.751 40 0 BCABRP COCC[N@H+](CCC[NH3+])CCc1ccncc1 ZINC000071224244 384731531 /nfs/dbraw/zinc/73/15/31/384731531.db2.gz KTSZWZGVLDBTKM-UHFFFAOYSA-N 2 0 237.347 0.921 40 0 BCABRP CCOC(=O)[C@H](C[NH3+])C(C)(C)[NH+]1CCCC1 ZINC000072210409 385068742 /nfs/dbraw/zinc/06/87/42/385068742.db2.gz DSUZCXGFKNMLBK-JTQLQIEISA-N 2 0 228.336 0.999 40 0 BCABRP CSCC[C@@H]([NH3+])CN1CCC[N@H+](C)CC1 ZINC000096523842 385267941 /nfs/dbraw/zinc/26/79/41/385267941.db2.gz RZYMZNXQGMTMKD-LLVKDONJSA-N 2 0 231.409 0.704 40 0 BCABRP CCS(=O)(=O)[C@]1(C[NH3+])C[C@@H](C[NH3+])C[C@@H]1C ZINC000096532548 385285527 /nfs/dbraw/zinc/28/55/27/385285527.db2.gz BPSSMVVYPCRBDD-GUBZILKMSA-N 2 0 234.365 0.123 40 0 BCABRP CC(=O)N[C@@H]1C[N@@H+](C)C2(C1)CC[NH+](C)CC2 ZINC000257286444 385761607 /nfs/dbraw/zinc/76/16/07/385761607.db2.gz PLPKJAWZLMDCND-NSHDSACASA-N 2 0 225.336 0.291 40 0 BCABRP C[NH+]1CCN(c2ccncc2C[NH3+])CC1 ZINC000088114682 386826186 /nfs/dbraw/zinc/82/61/86/386826186.db2.gz IQQDKPASLWCQGD-UHFFFAOYSA-N 2 0 206.293 0.292 40 0 BCABRP C[NH+]1CCC(c2nnc(CC[NH3+])o2)CC1 ZINC000095828882 173002626 /nfs/dbraw/zinc/00/26/26/173002626.db2.gz RCDHVXMJKAGFFX-UHFFFAOYSA-N 2 0 210.281 0.380 40 0 BCABRP C[N@@H+]1CCCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020217634 173013272 /nfs/dbraw/zinc/01/32/72/173013272.db2.gz BOUWIZCGCNHTQB-LBPRGKRZSA-N 2 0 211.353 0.766 40 0 BCABRP COCC[N@@H+]1CC2(C[C@H]1COC)CC[NH2+]CC2 ZINC000096220261 174303469 /nfs/dbraw/zinc/30/34/69/174303469.db2.gz SJPLXTCNVISWSC-LBPRGKRZSA-N 2 0 242.363 0.723 40 0 BCABRP COCC[N@@H+]1CC2(C[C@@H]1COC)CC[NH2+]CC2 ZINC000096220259 174304016 /nfs/dbraw/zinc/30/40/16/174304016.db2.gz SJPLXTCNVISWSC-GFCCVEGCSA-N 2 0 242.363 0.723 40 0 BCABRP CC[NH+](CC)CCNC(=O)C[NH2+]C1CC1 ZINC000037476889 323107594 /nfs/dbraw/zinc/10/75/94/323107594.db2.gz MFXDZMOWQYJKSD-UHFFFAOYSA-N 2 0 213.325 0.196 40 0 BCABRP CN(C(=O)C[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242592188 522105897 /nfs/dbraw/zinc/10/58/97/522105897.db2.gz OLLUJJASVWGFSQ-MGCOHNPYSA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063122322 187324597 /nfs/dbraw/zinc/32/45/97/187324597.db2.gz LRPHHSGGOGPCMT-LBPRGKRZSA-N 2 0 241.379 0.770 40 0 BCABRP CC(C)[C@H]([C@@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210614 259317614 /nfs/dbraw/zinc/31/76/14/259317614.db2.gz ARKBGFLZIWNJIN-WDEREUQCSA-N 2 0 200.326 0.674 40 0 BCABRP CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000216591536 342734295 /nfs/dbraw/zinc/73/42/95/342734295.db2.gz KHGCGHQRRIJFQY-FUNVUKJBSA-N 2 0 223.364 0.907 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@@H](C[C@H]2CCCC[NH2+]2)C1 ZINC000242522415 259326354 /nfs/dbraw/zinc/32/63/54/259326354.db2.gz ISBDAGONLADELG-TUAOUCFPSA-N 2 0 212.337 0.831 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@@H](C[C@@H]2CCC[NH2+]C2)C1 ZINC000242463486 398314279 /nfs/dbraw/zinc/31/42/79/398314279.db2.gz DCXKJKJIJXJQFF-SRVKXCTJSA-N 2 0 212.337 0.689 40 0 BCABRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000036189977 187208309 /nfs/dbraw/zinc/20/83/09/187208309.db2.gz FJQMGMPVYUYCPX-GFCCVEGCSA-N 2 0 239.363 0.539 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000079407519 187262868 /nfs/dbraw/zinc/26/28/68/187262868.db2.gz GIGLMGBJAUIDLG-NEPJUHHUSA-N 2 0 241.379 0.770 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419622 187263043 /nfs/dbraw/zinc/26/30/43/187263043.db2.gz PPDCLTWNXQQLBR-RYUDHWBXSA-N 2 0 239.363 0.665 40 0 BCABRP COC(=O)C[C@H](C)[NH2+]CCCn1ccnc1 ZINC000047219182 343559876 /nfs/dbraw/zinc/55/98/76/343559876.db2.gz MRWFKEWXZRIKRF-JTQLQIEISA-N 2 0 225.292 0.814 40 0 BCABRP CC(C)CC[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000091408302 343785081 /nfs/dbraw/zinc/78/50/81/343785081.db2.gz VRYHHXWPRZKXPU-UHFFFAOYSA-N 2 0 239.363 0.396 40 0 BCABRP C[N@@H+]1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409424265 343817276 /nfs/dbraw/zinc/81/72/76/343817276.db2.gz GKQIUIYOFHAUOP-SECBINFHSA-N 2 0 209.297 0.079 40 0 BCABRP CC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409432028 343825272 /nfs/dbraw/zinc/82/52/72/343825272.db2.gz KNHRFPBYHWYMHA-PWSUYJOCSA-N 2 0 212.337 0.831 40 0 BCABRP C[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000409434423 343831620 /nfs/dbraw/zinc/83/16/20/343831620.db2.gz PCZGEMXPGOXRQQ-SNVBAGLBSA-N 2 0 234.303 0.077 40 0 BCABRP CC(C)(C)OC(=O)N1CC(C[NH3+])(C[NH3+])C1 ZINC000409433356 343832339 /nfs/dbraw/zinc/83/23/39/343832339.db2.gz RKVLOTJYDIXLDZ-UHFFFAOYSA-N 2 0 215.297 0.141 40 0 BCABRP [NH3+]CCn1nc(C2CC[NH2+]CC2)c2c1CCC2 ZINC000409440893 343856952 /nfs/dbraw/zinc/85/69/52/343856952.db2.gz VKXGXQZWWGSJEO-UHFFFAOYSA-N 2 0 234.347 0.798 40 0 BCABRP Cc1nc(N2CCC([NH3+])CC2)cc(N(C)C)[nH+]1 ZINC000258908921 345787023 /nfs/dbraw/zinc/78/70/23/345787023.db2.gz HGLZURXSMXVAOR-UHFFFAOYSA-N 2 0 235.335 0.779 40 0 BCABRP CNc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000087831170 345940059 /nfs/dbraw/zinc/94/00/59/345940059.db2.gz NUVRHNBTCBKDRG-UHFFFAOYSA-N 2 0 207.281 0.236 40 0 BCABRP CCO[C@H]1C[N@H+](CCC[NH3+])C[C@H]1OC ZINC000409436473 350478622 /nfs/dbraw/zinc/47/86/22/350478622.db2.gz ZZAAKRVVPNQTOU-ZJUUUORDSA-N 2 0 202.298 0.071 40 0 BCABRP CC(C)(C)OC(=O)[C@H]([NH3+])[C@H]1C[C@H]([NH3+])C1 ZINC000602985742 351866021 /nfs/dbraw/zinc/86/60/21/351866021.db2.gz OGHGAJBVNRZRIL-BWZBUEFSSA-N 2 0 200.282 0.393 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1C ZINC000079407518 187944109 /nfs/dbraw/zinc/94/41/09/187944109.db2.gz FWIHOBKERAVFDU-NEPJUHHUSA-N 2 0 241.379 0.912 40 0 BCABRP CCCC[N@H+](CC)C[C@H](O)CN1CC[NH2+]CC1 ZINC000045919759 353277154 /nfs/dbraw/zinc/27/71/54/353277154.db2.gz SXJUFELJVAICJA-ZDUSSCGKSA-N 2 0 243.395 0.375 40 0 BCABRP CC(C)N(C[C@H]1CC[N@H+](C)C1)C(=O)C[NH3+] ZINC000079406947 188291376 /nfs/dbraw/zinc/29/13/76/188291376.db2.gz VZLPWAURGYKFNC-JTQLQIEISA-N 2 0 213.325 0.134 40 0 BCABRP CC(C)N(C(=O)C[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000079406955 188291520 /nfs/dbraw/zinc/29/15/20/188291520.db2.gz ITEHCPSXNOLCGE-SNVBAGLBSA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079419309 188292065 /nfs/dbraw/zinc/29/20/65/188292065.db2.gz WHECSIFRZNGWTR-SNVBAGLBSA-N 2 0 213.325 0.134 40 0 BCABRP [NH3+]CC1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000019843254 181364885 /nfs/dbraw/zinc/36/48/85/181364885.db2.gz NKOYTLXUUGTRJW-UHFFFAOYSA-N 2 0 239.363 0.716 40 0 BCABRP [NH3+]CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101717 181366829 /nfs/dbraw/zinc/36/68/29/181366829.db2.gz MCXFZGJAQVDTMA-UHFFFAOYSA-N 2 0 225.336 0.422 40 0 BCABRP c1cc[n+](CCNCC[n+]2ccccc2)cc1 ZINC000001709595 183378337 /nfs/dbraw/zinc/37/83/37/183378337.db2.gz YYRMTADONOCDRF-UHFFFAOYSA-N 2 0 229.327 0.551 40 0 BCABRP [NH3+]CCn1cc(C[NH+]2CCCCC2)cn1 ZINC000090397979 384044488 /nfs/dbraw/zinc/04/44/88/384044488.db2.gz WLRKSCLPOVUWTF-UHFFFAOYSA-N 2 0 208.309 0.828 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)C1CCC([NH+](C)C)CC1 ZINC000079407154 384136479 /nfs/dbraw/zinc/13/64/79/384136479.db2.gz LBMFZWJKOGFOBV-WHXUTIOJSA-N 2 0 227.352 0.665 40 0 BCABRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415147 384136882 /nfs/dbraw/zinc/13/68/82/384136882.db2.gz MRKSBRCQDFPUEY-CYBMUJFWSA-N 2 0 247.342 0.678 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1C ZINC000079407138 384137120 /nfs/dbraw/zinc/13/71/20/384137120.db2.gz ZJHJSZLYWTUYJI-VHSXEESVSA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)N(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407288 384137371 /nfs/dbraw/zinc/13/73/71/384137371.db2.gz FYIRBHNCISWVJD-WDEREUQCSA-N 2 0 227.352 0.522 40 0 BCABRP C[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079424926 384146722 /nfs/dbraw/zinc/14/67/22/384146722.db2.gz SUSXUPCMBSPIBV-WDEREUQCSA-N 2 0 225.336 0.467 40 0 BCABRP CC(C)[N@H+](C)C1CCN(C(=O)C[NH3+])CC1 ZINC000079419322 384143303 /nfs/dbraw/zinc/14/33/03/384143303.db2.gz BDPZGFOSRYPEQB-UHFFFAOYSA-N 2 0 213.325 0.276 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419535 384144936 /nfs/dbraw/zinc/14/49/36/384144936.db2.gz ODYVHPRLYYAJPJ-ZMLRMANQSA-N 2 0 239.363 0.855 40 0 BCABRP COC[C@H]1C[NH2+]CCN(Cc2cccnc2)C1 ZINC000072354445 384210750 /nfs/dbraw/zinc/21/07/50/384210750.db2.gz YIIWYKYCMFFQFL-ZDUSSCGKSA-N 2 0 235.331 0.749 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177564 384282914 /nfs/dbraw/zinc/28/29/14/384282914.db2.gz LBMFZWJKOGFOBV-GARJFASQSA-N 2 0 227.352 0.665 40 0 BCABRP C[C@H]1NCCn2c(CN3CC[NH+](C)CC3)cnc21 ZINC000107491955 384391667 /nfs/dbraw/zinc/39/16/67/384391667.db2.gz LQOVAJRHXRWKIQ-LLVKDONJSA-N 2 0 249.362 0.295 40 0 BCABRP CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407575 384492340 /nfs/dbraw/zinc/49/23/40/384492340.db2.gz XHGUFNKTRQMTAX-NEPJUHHUSA-N 2 0 241.379 0.770 40 0 BCABRP CC[C@@](C)([C@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210368 385066965 /nfs/dbraw/zinc/06/69/65/385066965.db2.gz SZJRGUUIIMJKGW-MNOVXSKESA-N 2 0 200.326 0.818 40 0 BCABRP [NH3+]C[C@@H](CO)C1([NH+]2CCOCC2)CCCCC1 ZINC000072210380 385068048 /nfs/dbraw/zinc/06/80/48/385068048.db2.gz MTVARHKADDGMTF-LBPRGKRZSA-N 2 0 242.363 0.589 40 0 BCABRP CC[C@H]([NH3+])c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225514 385109662 /nfs/dbraw/zinc/10/96/62/385109662.db2.gz UTSDIMKUCDOSDJ-NSHDSACASA-N 2 0 220.320 0.901 40 0 BCABRP c1cc(N2CC[NH2+]CC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072216265 385095108 /nfs/dbraw/zinc/09/51/08/385095108.db2.gz UODUNAZWULACRR-GFCCVEGCSA-N 2 0 232.331 0.916 40 0 BCABRP Nc1cnccc1OCCN1CCOCC1 ZINC000095098143 385486083 /nfs/dbraw/zinc/48/60/83/385486083.db2.gz SPCPKOTZKFXRMA-UHFFFAOYSA-N 2 0 223.276 0.375 40 0 BCABRP CC(C)(C)OC(=O)N[C@H]([NH3+])CCC[NH3+] ZINC000077032262 387164153 /nfs/dbraw/zinc/16/41/53/387164153.db2.gz AUXKRFIFWCPTNG-ZETCQYMHSA-N 2 0 203.286 0.535 40 0 BCABRP CS(=O)(=O)C1(C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000217930559 388383618 /nfs/dbraw/zinc/38/36/18/388383618.db2.gz IUVSIVHWEDNUJV-UHFFFAOYSA-N 2 0 246.376 0.249 40 0 BCABRP CC(C)[N@H+](C)Cc1cnc2n1CCNC2 ZINC000107491737 388616834 /nfs/dbraw/zinc/61/68/34/388616834.db2.gz WUJDWTHZXTZZBC-UHFFFAOYSA-N 2 0 208.309 0.827 40 0 BCABRP CNc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000062718388 388656155 /nfs/dbraw/zinc/65/61/55/388656155.db2.gz CPPLOIMUPNMSLX-UHFFFAOYSA-N 2 0 235.335 0.608 40 0 BCABRP CN(C(=O)C[NH3+])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079406836 172308464 /nfs/dbraw/zinc/30/84/64/172308464.db2.gz SINGDZPSPZDUAI-ZJUUUORDSA-N 2 0 213.325 0.276 40 0 BCABRP C[NH+]1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000020071622 173085039 /nfs/dbraw/zinc/08/50/39/173085039.db2.gz KMCHDYCSFDJBSI-CQSZACIVSA-N 2 0 233.359 0.804 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH+](C)CC1 ZINC000079407397 176745816 /nfs/dbraw/zinc/74/58/16/176745816.db2.gz OITVFRRDEQLFNI-VIFPVBQESA-N 2 0 225.336 0.419 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000079407413 176746912 /nfs/dbraw/zinc/74/69/12/176746912.db2.gz APHGHWHMMIIRFT-CMPLNLGQSA-N 2 0 239.363 0.809 40 0 BCABRP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000062115080 490395952 /nfs/dbraw/zinc/39/59/52/490395952.db2.gz JVXDUJGYTOSWHO-LBPRGKRZSA-N 2 0 237.347 0.150 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC000247989322 187330968 /nfs/dbraw/zinc/33/09/68/187330968.db2.gz JTZCKYZOLYNWBH-QWHCGFSZSA-N 2 0 242.363 0.722 40 0 BCABRP CC(C)[C@H]([C@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210616 259317148 /nfs/dbraw/zinc/31/71/48/259317148.db2.gz ARKBGFLZIWNJIN-GHMZBOCLSA-N 2 0 200.326 0.674 40 0 BCABRP CC(C)[C@@H]([C@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210615 259317384 /nfs/dbraw/zinc/31/73/84/259317384.db2.gz ARKBGFLZIWNJIN-MNOVXSKESA-N 2 0 200.326 0.674 40 0 BCABRP C[NH2+]Cc1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC000072222546 259320954 /nfs/dbraw/zinc/32/09/54/259320954.db2.gz LKFQBTFYGDWGQH-UHFFFAOYSA-N 2 0 220.320 0.519 40 0 BCABRP C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223614 259321506 /nfs/dbraw/zinc/32/15/06/259321506.db2.gz CSUWSBYYNNQMON-UHFFFAOYSA-N 2 0 234.347 0.861 40 0 BCABRP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccnc2)C1 ZINC000242543307 259326329 /nfs/dbraw/zinc/32/63/29/259326329.db2.gz JVZFEGVETJRMMF-RYUDHWBXSA-N 2 0 205.305 0.903 40 0 BCABRP CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000095096500 346932869 /nfs/dbraw/zinc/93/28/69/346932869.db2.gz DNIQSYZEBGCNGC-SNVBAGLBSA-N 2 0 209.297 0.394 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267578 343307785 /nfs/dbraw/zinc/30/77/85/343307785.db2.gz PWOMDQQEGSMPIN-JTQLQIEISA-N 2 0 213.325 0.180 40 0 BCABRP CC(C)N(CC[NH3+])C[C@@H]1CCC[N@H+](C)C1 ZINC000079406300 187263115 /nfs/dbraw/zinc/26/31/15/187263115.db2.gz BJHZSMSLDOULJM-GFCCVEGCSA-N 2 0 213.369 0.997 40 0 BCABRP CC(C)C[N@@H+]1CCOC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000409423236 343814813 /nfs/dbraw/zinc/81/48/13/343814813.db2.gz MTKMILKXAJGUJB-RYUDHWBXSA-N 2 0 212.337 0.953 40 0 BCABRP COC[C@@H]1C[N@H+](CCC[NH3+])CC1(C)C ZINC000409425620 343819898 /nfs/dbraw/zinc/81/98/98/343819898.db2.gz BACLRCQJCYPHEV-JTQLQIEISA-N 2 0 200.326 0.940 40 0 BCABRP O[C@@H]1CCO[C@]2(CC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432018 343825318 /nfs/dbraw/zinc/82/53/18/343825318.db2.gz KNFZAUSMOIKRHA-CHWSQXEVSA-N 2 0 240.347 0.354 40 0 BCABRP CCOC[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1C ZINC000409432635 343827085 /nfs/dbraw/zinc/82/70/85/343827085.db2.gz LMFCFPZOLHQXRO-QWRGUYRKSA-N 2 0 200.326 0.940 40 0 BCABRP CO[C@@H]1CCOC2(CC[NH+](CCC[NH3+])CC2)C1 ZINC000409428763 343804303 /nfs/dbraw/zinc/80/43/03/343804303.db2.gz NAICVDQMGYWRIV-GFCCVEGCSA-N 2 0 242.363 0.995 40 0 BCABRP [NH3+]CCc1noc([C@@H]2C[C@@H]3CCC[N@@H+]3C2)n1 ZINC000409438027 343849351 /nfs/dbraw/zinc/84/93/51/343849351.db2.gz BUBPGMAXUGDYFL-BDAKNGLRSA-N 2 0 222.292 0.523 40 0 BCABRP [NH3+]CCc1noc([C@H]2C[C@H]3CCC[N@@H+]3C2)n1 ZINC000409438032 343849460 /nfs/dbraw/zinc/84/94/60/343849460.db2.gz BUBPGMAXUGDYFL-DTWKUNHWSA-N 2 0 222.292 0.523 40 0 BCABRP C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH2+]C1CC1 ZINC000216250219 259376762 /nfs/dbraw/zinc/37/67/62/259376762.db2.gz BLPDWCVUTIIFNM-PWSUYJOCSA-N 2 0 212.337 0.974 40 0 BCABRP C[N@@H+]1CCC[C@H]1Cc1nc(CC[NH3+])no1 ZINC000258051832 345780363 /nfs/dbraw/zinc/78/03/63/345780363.db2.gz PDBYACPCGXLSMD-QMMMGPOBSA-N 2 0 210.281 0.208 40 0 BCABRP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257723011 345781735 /nfs/dbraw/zinc/78/17/35/345781735.db2.gz TYHWLXKIAYOOHF-NEPJUHHUSA-N 2 0 239.363 0.526 40 0 BCABRP [NH3+]CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000257755932 345781751 /nfs/dbraw/zinc/78/17/51/345781751.db2.gz OPHSDHJPLZZHIU-SNVBAGLBSA-N 2 0 215.366 0.068 40 0 BCABRP C[NH+]1CCC(CCn2cc(C[NH3+])nn2)CC1 ZINC000409424725 350475810 /nfs/dbraw/zinc/47/58/10/350475810.db2.gz HVVYZXZFDJYTTE-UHFFFAOYSA-N 2 0 223.324 0.469 40 0 BCABRP CCO[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1OC ZINC000409436472 350478260 /nfs/dbraw/zinc/47/82/60/350478260.db2.gz ZZAAKRVVPNQTOU-VHSXEESVSA-N 2 0 202.298 0.071 40 0 BCABRP CN(C[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000020073277 363147425 /nfs/dbraw/zinc/14/74/25/363147425.db2.gz JLFPYNBENDEXLN-LLVKDONJSA-N 2 0 211.353 0.764 40 0 BCABRP C[n+]1ccccc1[C@H](O)[C@@H](O)c1cccc[n+]1C ZINC000001746928 188274067 /nfs/dbraw/zinc/27/40/67/188274067.db2.gz XOTOPKFNRCMGTD-KBPBESRZSA-N 2 0 246.310 0.103 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000079407507 188291652 /nfs/dbraw/zinc/29/16/52/188291652.db2.gz JCPAWXBERRMKNW-MNOVXSKESA-N 2 0 227.352 0.522 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000079407452 188291825 /nfs/dbraw/zinc/29/18/25/188291825.db2.gz AWKZFUDBIYSRKO-UWVGGRQHSA-N 2 0 213.325 0.180 40 0 BCABRP [NH3+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035018167 181353009 /nfs/dbraw/zinc/35/30/09/181353009.db2.gz YPWKQQRQPOSWHR-GFCCVEGCSA-N 2 0 233.315 0.336 40 0 BCABRP [NH3+]CC1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217976703 181358549 /nfs/dbraw/zinc/35/85/49/181358549.db2.gz XCFDOUZWKJUFBR-JTQLQIEISA-N 2 0 240.328 0.136 40 0 BCABRP [NH3+]CCC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000034650967 181380684 /nfs/dbraw/zinc/38/06/84/181380684.db2.gz QKNHBHAWXBIPFZ-NWDGAFQWSA-N 2 0 247.342 0.616 40 0 BCABRP CSCC[C@H]([NH3+])CN1CC[NH+](C)CC1 ZINC000019852812 371194254 /nfs/dbraw/zinc/19/42/54/371194254.db2.gz GHZQVYQQWCVQPL-JTQLQIEISA-N 2 0 217.382 0.314 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407415 384137894 /nfs/dbraw/zinc/13/78/94/384137894.db2.gz ZREKNIHHRZIIQW-WDEREUQCSA-N 2 0 239.363 0.666 40 0 BCABRP C[NH+](C)[C@@H]1CCCC[C@H]1N(C(=O)C[NH3+])C1CC1 ZINC000079407084 384137928 /nfs/dbraw/zinc/13/79/28/384137928.db2.gz VPPVCXMYHRHOGJ-VXGBXAGGSA-N 2 0 239.363 0.809 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C1 ZINC000079407496 384134926 /nfs/dbraw/zinc/13/49/26/384134926.db2.gz RWUFYIGFHGPTBN-ZJUUUORDSA-N 2 0 213.325 0.132 40 0 BCABRP CC(C)N(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407290 384135831 /nfs/dbraw/zinc/13/58/31/384135831.db2.gz FYIRBHNCISWVJD-QWRGUYRKSA-N 2 0 227.352 0.522 40 0 BCABRP CC(C)N(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407285 384136242 /nfs/dbraw/zinc/13/62/42/384136242.db2.gz AILVBEINJVIWCI-WDEREUQCSA-N 2 0 227.352 0.665 40 0 BCABRP C[NH+](C)[C@H]1CCCC[C@H]1N(C(=O)C[NH3+])C1CC1 ZINC000079407089 384136991 /nfs/dbraw/zinc/13/69/91/384136991.db2.gz VPPVCXMYHRHOGJ-NWDGAFQWSA-N 2 0 239.363 0.809 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407109 384137413 /nfs/dbraw/zinc/13/74/13/384137413.db2.gz WBVLEMOBQLWAOK-AEJSXWLSSA-N 2 0 213.325 0.323 40 0 BCABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@H+](C)C1 ZINC000079407272 384137616 /nfs/dbraw/zinc/13/76/16/384137616.db2.gz LFPSXISSXRJOII-VHSXEESVSA-N 2 0 213.325 0.275 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419427 384142223 /nfs/dbraw/zinc/14/22/23/384142223.db2.gz CMOGMHHVHYNUEG-QWRGUYRKSA-N 2 0 227.352 0.522 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)C2CC2)C1 ZINC000079419486 384142868 /nfs/dbraw/zinc/14/28/68/384142868.db2.gz CUKRQMHIJBTQQN-UWVGGRQHSA-N 2 0 225.336 0.276 40 0 BCABRP C[N@H+](C[C@@H]1CCCN(CC[NH3+])C1)C1CC1 ZINC000079419073 384144074 /nfs/dbraw/zinc/14/40/74/384144074.db2.gz RUIVITAIUKRVQM-NSHDSACASA-N 2 0 211.353 0.751 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096240641 384445296 /nfs/dbraw/zinc/44/52/96/384445296.db2.gz JTZCKYZOLYNWBH-STQMWFEESA-N 2 0 242.363 0.722 40 0 BCABRP CCN(C(=O)C[NH3+])C1CCC([NH+](C)C)CC1 ZINC000079406910 384493984 /nfs/dbraw/zinc/49/39/84/384493984.db2.gz IMEIFURLLCULBI-UHFFFAOYSA-N 2 0 227.352 0.666 40 0 BCABRP CC[C@@H]([NH3+])c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225515 385110612 /nfs/dbraw/zinc/11/06/12/385110612.db2.gz UTSDIMKUCDOSDJ-LLVKDONJSA-N 2 0 220.320 0.901 40 0 BCABRP C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062648 385320297 /nfs/dbraw/zinc/32/02/97/385320297.db2.gz QZCUSDYHKLHGAI-SNVBAGLBSA-N 2 0 225.336 0.420 40 0 BCABRP O[C@@H](C[NH2+]C1CC1)C[NH+]1CCCCCC1 ZINC000036950372 385825126 /nfs/dbraw/zinc/82/51/26/385825126.db2.gz FHIFALDYXOHGMX-LBPRGKRZSA-N 2 0 212.337 0.975 40 0 BCABRP C[C@@]([NH3+])(C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858223 385899523 /nfs/dbraw/zinc/89/95/23/385899523.db2.gz KWHTYQAVFBSINF-JSGCOSHPSA-N 2 0 247.342 0.714 40 0 BCABRP CC(C)(C)OC(=O)N[C@@H]([NH3+])CCC[NH3+] ZINC000077032269 387163345 /nfs/dbraw/zinc/16/33/45/387163345.db2.gz AUXKRFIFWCPTNG-SSDOTTSWSA-N 2 0 203.286 0.535 40 0 BCABRP CC(C)[C@@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000020073287 388611891 /nfs/dbraw/zinc/61/18/91/388611891.db2.gz MHGAKIDRPBIWQJ-LBPRGKRZSA-N 2 0 213.369 0.996 40 0 BCABRP CC(C)[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000020073290 388754145 /nfs/dbraw/zinc/75/41/45/388754145.db2.gz MHGAKIDRPBIWQJ-GFCCVEGCSA-N 2 0 213.369 0.996 40 0 BCABRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000087121977 135107145 /nfs/dbraw/zinc/10/71/45/135107145.db2.gz MHVQBDFSJRWPGK-VHSXEESVSA-N 2 0 213.325 0.052 40 0 BCABRP CC(C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000019843228 167051495 /nfs/dbraw/zinc/05/14/95/167051495.db2.gz WVQJVTUSBRRQLY-UHFFFAOYSA-N 2 0 213.325 0.182 40 0 BCABRP CC[C@H](C)[C@H]([NH3+])CN1CCC[N@H+](C)CC1 ZINC000020217795 171396906 /nfs/dbraw/zinc/39/69/06/171396906.db2.gz OIOOWQXSOJKXCN-NWDGAFQWSA-N 2 0 213.369 0.997 40 0 BCABRP C[N@@H+]1CCCC[C@@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407049 173005272 /nfs/dbraw/zinc/00/52/72/173005272.db2.gz UKPGQPMLRMFOQH-LLVKDONJSA-N 2 0 225.336 0.420 40 0 BCABRP C[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000019727534 173079566 /nfs/dbraw/zinc/07/95/66/173079566.db2.gz QHKMCJBPTGGOTI-UHFFFAOYSA-N 2 0 211.353 0.895 40 0 BCABRP C[NH2+]CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062695 173326581 /nfs/dbraw/zinc/32/65/81/173326581.db2.gz LZYVDPUAACIQAY-UHFFFAOYSA-N 2 0 225.336 0.293 40 0 BCABRP C[C@H]1CCCCN1C(=O)CN1CCC([NH3+])CC1 ZINC000036754732 177072241 /nfs/dbraw/zinc/07/22/41/177072241.db2.gz WWFSDNIBBFHJFW-NSHDSACASA-N 2 0 239.363 0.811 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000249702793 524822722 /nfs/dbraw/zinc/82/27/22/524822722.db2.gz ZEKNMOYSTCUUIH-DCAQKATOSA-N 2 0 239.363 0.855 40 0 BCABRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000242581755 259325977 /nfs/dbraw/zinc/32/59/77/259325977.db2.gz OELSGMOBOVUDBY-LLVKDONJSA-N 2 0 246.314 0.196 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@@H](C[C@H]2CCC[NH2+]C2)C1 ZINC000242463491 398314103 /nfs/dbraw/zinc/31/41/03/398314103.db2.gz DCXKJKJIJXJQFF-WOPDTQHZSA-N 2 0 212.337 0.689 40 0 BCABRP C[n+]1ccccc1[C@@H](O)[C@@H](O)c1cccc[n+]1C ZINC000017147621 342921072 /nfs/dbraw/zinc/92/10/72/342921072.db2.gz XOTOPKFNRCMGTD-OKILXGFUSA-N 2 0 246.310 0.103 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419447 187263765 /nfs/dbraw/zinc/26/37/65/187263765.db2.gz SXHDLPXFPJVZFD-NWDGAFQWSA-N 2 0 241.379 0.912 40 0 BCABRP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000036189979 343779385 /nfs/dbraw/zinc/77/93/85/343779385.db2.gz FJQMGMPVYUYCPX-LBPRGKRZSA-N 2 0 239.363 0.539 40 0 BCABRP [NH3+][C@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000107195152 343785642 /nfs/dbraw/zinc/78/56/42/343785642.db2.gz IFPWAJQWWZVHBL-VIFPVBQESA-N 2 0 204.277 0.891 40 0 BCABRP C[C@@H](O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409425148 343818088 /nfs/dbraw/zinc/81/80/88/343818088.db2.gz FFFIXTAJALOUFL-GHMZBOCLSA-N 2 0 212.337 0.831 40 0 BCABRP Cc1nc(NCC[NH+](C)C)cc(OCC[NH3+])n1 ZINC000409431504 343823415 /nfs/dbraw/zinc/82/34/15/343823415.db2.gz VGDYBLMSZGNYEC-UHFFFAOYSA-N 2 0 239.323 0.096 40 0 BCABRP C[NH+]1C[C@H]2CN(c3cc(N)ncn3)C[C@@H]2C1 ZINC000409432032 343825101 /nfs/dbraw/zinc/82/51/01/343825101.db2.gz SQSGUNWPRZUINH-IUCAKERBSA-N 2 0 219.292 0.057 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@@H](O)[C@H](CC2CC2)C1 ZINC000409429431 343805537 /nfs/dbraw/zinc/80/55/37/343805537.db2.gz HKUSBGAKDTYWRT-VXGBXAGGSA-N 2 0 212.337 0.818 40 0 BCABRP Cc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(N)[nH+]1 ZINC000409429894 343806735 /nfs/dbraw/zinc/80/67/35/343806735.db2.gz JYXGZDZNEUMPTJ-AOOOYVTPSA-N 2 0 233.319 0.365 40 0 BCABRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000409430562 343808739 /nfs/dbraw/zinc/80/87/39/343808739.db2.gz QRNKRPGQSFSCAZ-PWSUYJOCSA-N 2 0 212.337 0.974 40 0 BCABRP C[C@H](O)[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000409430561 343808747 /nfs/dbraw/zinc/80/87/47/343808747.db2.gz QRNKRPGQSFSCAZ-JQWIXIFHSA-N 2 0 212.337 0.974 40 0 BCABRP [NH3+]CCC[N@@H+]1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409430725 343809034 /nfs/dbraw/zinc/80/90/34/343809034.db2.gz IXKWAJDLYCPCAJ-NWDGAFQWSA-N 2 0 228.336 0.341 40 0 BCABRP [NH3+]Cc1c2c(nn1CC1CC1)CC[NH2+]C2 ZINC000409436755 343836836 /nfs/dbraw/zinc/83/68/36/343836836.db2.gz ACECAENDBQASAQ-UHFFFAOYSA-N 2 0 206.293 0.398 40 0 BCABRP CO[C@H]1CCO[C@@]2(CC[N@H+](CCC[NH3+])C2)C1 ZINC000409435770 343839911 /nfs/dbraw/zinc/83/99/11/343839911.db2.gz WMCFOWCZFCLEQX-RYUDHWBXSA-N 2 0 228.336 0.605 40 0 BCABRP CCO[C@H]1C[NH+](CCC[NH3+])C[C@@H]1OCC ZINC000409435805 343840340 /nfs/dbraw/zinc/84/03/40/343840340.db2.gz WOXFNCZICQYRQP-QWRGUYRKSA-N 2 0 216.325 0.461 40 0 BCABRP [NH3+]CCn1nc([C@H]2CCC[NH2+]C2)c2c1CCC2 ZINC000409437262 343843074 /nfs/dbraw/zinc/84/30/74/343843074.db2.gz FJKKHDIPRJIBQU-JTQLQIEISA-N 2 0 234.347 0.798 40 0 BCABRP C1C[C@@H](N2CC[NH2+]CC2)[C@H]([NH+]2CCCC2)C1 ZINC000409437743 343849004 /nfs/dbraw/zinc/84/90/04/343849004.db2.gz BDGSMQPSOLBFBT-CHWSQXEVSA-N 2 0 223.364 0.909 40 0 BCABRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000081138779 344505267 /nfs/dbraw/zinc/50/52/67/344505267.db2.gz CWRDDYBZNYVLJA-NSHDSACASA-N 2 0 246.314 0.339 40 0 BCABRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257661904 345780921 /nfs/dbraw/zinc/78/09/21/345780921.db2.gz DKWXAKVNYYPTQG-GHMZBOCLSA-N 2 0 225.336 0.278 40 0 BCABRP [NH3+]CCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000257757834 345781660 /nfs/dbraw/zinc/78/16/60/345781660.db2.gz SCVYJPZLLUYWMW-UHFFFAOYSA-N 2 0 227.352 0.132 40 0 BCABRP [NH3+]CCN1CC[NH+](C2CCSCC2)CC1 ZINC000257743099 345781811 /nfs/dbraw/zinc/78/18/11/345781811.db2.gz CNNZOVHAUUGPNN-UHFFFAOYSA-N 2 0 229.393 0.458 40 0 BCABRP C[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101726 348053984 /nfs/dbraw/zinc/05/39/84/348053984.db2.gz TYJQETGDPOFZFJ-SNVBAGLBSA-N 2 0 225.336 0.420 40 0 BCABRP CC[NH+]1CCC(N2CCC([NH3+])CC2)CC1 ZINC000020521640 348714758 /nfs/dbraw/zinc/71/47/58/348714758.db2.gz HTCBIPYCILROFH-UHFFFAOYSA-N 2 0 211.353 0.894 40 0 BCABRP Cc1nc(NCC[NH3+])cc(N2CCCC2)[nH+]1 ZINC000217507249 180017852 /nfs/dbraw/zinc/01/78/52/180017852.db2.gz VEIBNUATTIXHIF-UHFFFAOYSA-N 2 0 221.308 0.756 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000040458335 187944508 /nfs/dbraw/zinc/94/45/08/187944508.db2.gz BAWKLBUFDSCMDH-NSHDSACASA-N 2 0 227.352 0.522 40 0 BCABRP C[N@@H+]1CCC[C@@H](N(C(=O)C[NH3+])C2CC2)C1 ZINC000079407040 188291336 /nfs/dbraw/zinc/29/13/36/188291336.db2.gz FOVDHTDXRIUBJD-SNVBAGLBSA-N 2 0 211.309 0.030 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000020217837 188354068 /nfs/dbraw/zinc/35/40/68/188354068.db2.gz KPGZIIXNYJNOTA-JTQLQIEISA-N 2 0 213.325 0.134 40 0 BCABRP [NH3+]CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000019519602 181350876 /nfs/dbraw/zinc/35/08/76/181350876.db2.gz ICQYRHDWVYSXNL-UHFFFAOYSA-N 2 0 247.342 0.726 40 0 BCABRP [NH3+]CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404057 181354544 /nfs/dbraw/zinc/35/45/44/181354544.db2.gz WNNQTIVNLONIOQ-CYBMUJFWSA-N 2 0 247.342 0.583 40 0 BCABRP [NH3+]CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404072 181353713 /nfs/dbraw/zinc/35/37/13/181353713.db2.gz TWDBPFSITKTFCX-CYBMUJFWSA-N 2 0 247.342 0.726 40 0 BCABRP [NH3+]CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000002599551 181366742 /nfs/dbraw/zinc/36/67/42/181366742.db2.gz MAGXDJKALVIKKE-UHFFFAOYSA-N 2 0 239.363 0.812 40 0 BCABRP [NH3+]CCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000217505349 181398622 /nfs/dbraw/zinc/39/86/22/181398622.db2.gz XSXXZSXFNYUKOX-UHFFFAOYSA-N 2 0 230.275 0.986 40 0 BCABRP CCC[NH+]1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000095096502 169191817 /nfs/dbraw/zinc/19/18/17/169191817.db2.gz LWDPNFFKKAEEFD-UHFFFAOYSA-N 2 0 223.324 0.784 40 0 BCABRP c1cc(C[NH2+]CCN2CC[NH2+]CC2)ccn1 ZINC000022911716 183350706 /nfs/dbraw/zinc/35/07/06/183350706.db2.gz IBYTYGDHBRNVOK-UHFFFAOYSA-N 2 0 220.320 0.076 40 0 in-vitro BCABRP C[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000079407379 384137982 /nfs/dbraw/zinc/13/79/82/384137982.db2.gz YEZVOOKYYZSSNO-VHSXEESVSA-N 2 0 225.336 0.276 40 0 BCABRP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000079407219 384134877 /nfs/dbraw/zinc/13/48/77/384134877.db2.gz QOTRYDVMFBFIOH-VHSXEESVSA-N 2 0 213.325 0.276 40 0 BCABRP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000079407222 384135997 /nfs/dbraw/zinc/13/59/97/384135997.db2.gz QOTRYDVMFBFIOH-UWVGGRQHSA-N 2 0 213.325 0.276 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407167 384136964 /nfs/dbraw/zinc/13/69/64/384136964.db2.gz BUTQYGAROIBXNU-HBNTYKKESA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)N(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407335 384137000 /nfs/dbraw/zinc/13/70/00/384137000.db2.gz ALWHQJQWCWXQJX-RYUDHWBXSA-N 2 0 241.379 0.912 40 0 BCABRP C[NH+](C)[C@@H]1CCCC[C@@H]1N(C(=O)C[NH3+])C1CC1 ZINC000079407075 384137425 /nfs/dbraw/zinc/13/74/25/384137425.db2.gz VPPVCXMYHRHOGJ-NEPJUHHUSA-N 2 0 239.363 0.809 40 0 BCABRP C[N@H+](C[C@@H]1CCCCN1C(=O)C[NH3+])C1CC1 ZINC000079424919 384146951 /nfs/dbraw/zinc/14/69/51/384146951.db2.gz BZYHZYCWHAIBFT-NSHDSACASA-N 2 0 225.336 0.420 40 0 BCABRP C[N@H+](C1CC1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424911 384147093 /nfs/dbraw/zinc/14/70/93/384147093.db2.gz ZPWYMGSPVKIPII-SNVBAGLBSA-N 2 0 211.309 0.030 40 0 BCABRP CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419433 384141595 /nfs/dbraw/zinc/14/15/95/384141595.db2.gz LKGRNPNOGXRISI-WDEREUQCSA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCCN(CC[NH3+])C1 ZINC000079419020 384144593 /nfs/dbraw/zinc/14/45/93/384144593.db2.gz GJHOPLQEBCJVKA-LBPRGKRZSA-N 2 0 213.369 0.997 40 0 BCABRP CC[NH+](CC)CCN1CCC[C@H]([NH3+])C1=O ZINC000070061951 384220148 /nfs/dbraw/zinc/22/01/48/384220148.db2.gz DPUNOWWDWPEXAS-JTQLQIEISA-N 2 0 213.325 0.278 40 0 BCABRP C[C@@H]([NH3+])CN1CCN(C2CC[NH+](C)CC2)CC1 ZINC000096523919 385272732 /nfs/dbraw/zinc/27/27/32/385272732.db2.gz QUBCEUKYJHEVMY-GFCCVEGCSA-N 2 0 240.395 0.045 40 0 BCABRP C(C1CCOCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078570864 388615529 /nfs/dbraw/zinc/61/55/29/388615529.db2.gz SLASAZMRKWCCLM-TXEJJXNPSA-N 2 0 210.321 0.564 40 0 BCABRP C[N@@H+]1CC[C@@H](O)[C@@H](CC2CC[NH2+]CC2)C1 ZINC000242495171 388807201 /nfs/dbraw/zinc/80/72/01/388807201.db2.gz FXUPCOUPIFDJHY-NWDGAFQWSA-N 2 0 212.337 0.689 40 0 BCABRP C[NH+](C)CCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225712223 388840337 /nfs/dbraw/zinc/84/03/37/388840337.db2.gz IHZPMEFRGBJJMK-NEPJUHHUSA-N 2 0 211.353 0.764 40 0 BCABRP CC[NH+](CC)CCN(N)CC[NH+](CC)CC ZINC000019167676 169777183 /nfs/dbraw/zinc/77/71/83/169777183.db2.gz POXKERIWKAXWAN-UHFFFAOYSA-N 2 0 230.400 0.846 40 0 BCABRP C[NH+]1CCC(N2CC[NH2+][C@H]3CCC[C@H]32)CC1 ZINC000218847055 411177778 /nfs/dbraw/zinc/17/77/78/411177778.db2.gz XANNMPQJDUHBRQ-QWHCGFSZSA-N 2 0 223.364 0.907 40 0 BCABRP CCOC(=O)N1CC[NH+](CCCC[NH3+])CC1 ZINC000037039336 170240336 /nfs/dbraw/zinc/24/03/36/170240336.db2.gz QSTBSOVIUYYVQJ-UHFFFAOYSA-N 2 0 229.324 0.499 40 0 BCABRP CN(C(=O)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404129 172307885 /nfs/dbraw/zinc/30/78/85/172307885.db2.gz XVLIVSKTCGLTFP-CYBMUJFWSA-N 2 0 247.342 0.678 40 0 BCABRP C[NH+]1CCC(c2nc(CCC[NH3+])no2)CC1 ZINC000218376985 173000968 /nfs/dbraw/zinc/00/09/68/173000968.db2.gz YVMKOZOPAANDBS-UHFFFAOYSA-N 2 0 224.308 0.770 40 0 BCABRP CN1CC[NH+](CC2CCC(C[NH3+])CC2)CC1 ZINC000086478678 173080052 /nfs/dbraw/zinc/08/00/52/173080052.db2.gz VZWJFNABCFQRQR-UHFFFAOYSA-N 2 0 225.380 0.999 40 0 BCABRP CNC(=O)[C@@H]1CN(C2CCCC2)Cc2cncn21 ZINC000247936147 173299790 /nfs/dbraw/zinc/29/97/90/173299790.db2.gz HDLGBQOSXOXKKA-LBPRGKRZSA-N 2 0 248.330 0.928 40 0 BCABRP COCCC[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531583 174231667 /nfs/dbraw/zinc/23/16/67/174231667.db2.gz BRNKOSJGSVPGAK-UHFFFAOYSA-N 2 0 228.336 0.477 40 0 BCABRP COCCN(C[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000096523896 174298324 /nfs/dbraw/zinc/29/83/24/174298324.db2.gz NOUPRVXBBGHCPI-NSHDSACASA-N 2 0 229.368 0.376 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000079419412 176747546 /nfs/dbraw/zinc/74/75/46/176747546.db2.gz QYVHMIUWKJAMOC-UWVGGRQHSA-N 2 0 213.325 0.134 40 0 BCABRP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(C[NH3+])cc1 ZINC000001746675 534962411 /nfs/dbraw/zinc/96/24/11/534962411.db2.gz AFRWRNQNACDMJY-UHFFFAOYSA-N 3 0 246.318 0.331 40 0 BCABRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094646687 643764999 /nfs/dbraw/zinc/76/49/99/643764999.db2.gz WUKBUQSSFHNLKN-VXGBXAGGSA-N 2 0 241.379 0.833 40 0 BCABRP Cc1ccc[n+](CC(O)C[n+]2cccc(C)c2)c1 ZINC000001595234 342704816 /nfs/dbraw/zinc/70/48/16/342704816.db2.gz FKIUUURTWGRVDV-UHFFFAOYSA-N 2 0 244.338 0.940 40 0 BCABRP CC(C)(COCCC[NH3+])COCCC[NH3+] ZINC000002582059 342725586 /nfs/dbraw/zinc/72/55/86/342725586.db2.gz USNBVHYUYWSPNK-UHFFFAOYSA-N 2 0 218.341 0.743 40 0 BCABRP CNc1cc(N2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC000259026528 342824382 /nfs/dbraw/zinc/82/43/82/342824382.db2.gz SNWPRVQEWHYLSO-UHFFFAOYSA-N 2 0 221.308 0.754 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@H](C[C@H]2CCCC[NH2+]2)C1 ZINC000242522416 259326014 /nfs/dbraw/zinc/32/60/14/259326014.db2.gz ISBDAGONLADELG-UTUOFQBUSA-N 2 0 212.337 0.831 40 0 BCABRP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cccnc2)C1 ZINC000242543306 259326035 /nfs/dbraw/zinc/32/60/35/259326035.db2.gz JVZFEGVETJRMMF-NWDGAFQWSA-N 2 0 205.305 0.903 40 0 BCABRP C[NH+](C)CCCN1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218840902 187227353 /nfs/dbraw/zinc/22/73/53/187227353.db2.gz BZRHNCMYNXMFJY-NWDGAFQWSA-N 2 0 211.353 0.764 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035222939 343303460 /nfs/dbraw/zinc/30/34/60/343303460.db2.gz CYYISHHAQAKICG-WCQYABFASA-N 2 0 247.342 0.724 40 0 BCABRP COC(=O)C[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000047219183 343559810 /nfs/dbraw/zinc/55/98/10/343559810.db2.gz MRWFKEWXZRIKRF-SNVBAGLBSA-N 2 0 225.292 0.814 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673621 187264710 /nfs/dbraw/zinc/26/47/10/187264710.db2.gz BEZIYXRYOQMVKT-ZJUUUORDSA-N 2 0 213.325 0.180 40 0 BCABRP [NH3+][C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000107195156 343785665 /nfs/dbraw/zinc/78/56/65/343785665.db2.gz IFPWAJQWWZVHBL-SECBINFHSA-N 2 0 204.277 0.891 40 0 BCABRP CO[C@@H]1C[NH+](C2CC[NH2+]CC2)C[C@H]1OC ZINC000234796560 343794897 /nfs/dbraw/zinc/79/48/97/343794897.db2.gz YETTYCYSDPLKON-GHMZBOCLSA-N 2 0 214.309 0.084 40 0 BCABRP CC(C)C[N@@H+]1CCOC[C@@H]2C[NH2+]CC[C@H]21 ZINC000409423235 343814697 /nfs/dbraw/zinc/81/46/97/343814697.db2.gz MTKMILKXAJGUJB-NWDGAFQWSA-N 2 0 212.337 0.953 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409425346 343819384 /nfs/dbraw/zinc/81/93/84/343819384.db2.gz AJCNNHQRYNFYAL-VHSXEESVSA-N 2 0 204.289 0.378 40 0 BCABRP COC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409425694 343820158 /nfs/dbraw/zinc/82/01/58/343820158.db2.gz GNGIHPOXQZXAHM-MNOVXSKESA-N 2 0 212.337 0.953 40 0 BCABRP CCOC[C@H]1C[N@H+](CCC[NH3+])C[C@H]1C ZINC000409432633 343826904 /nfs/dbraw/zinc/82/69/04/343826904.db2.gz LMFCFPZOLHQXRO-GHMZBOCLSA-N 2 0 200.326 0.940 40 0 BCABRP OCCC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000401053643 343811730 /nfs/dbraw/zinc/81/17/30/343811730.db2.gz ZISODINBIQROQQ-UHFFFAOYSA-N 2 0 212.337 0.833 40 0 BCABRP [NH3+]CC(=O)N[C@@H]1CCC[C@H]1[NH+]1CCCC1 ZINC000409441189 343855380 /nfs/dbraw/zinc/85/53/80/343855380.db2.gz NSQGPBFSHAZUEP-NXEZZACHSA-N 2 0 211.309 0.078 40 0 BCABRP CO[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000409433472 343832463 /nfs/dbraw/zinc/83/24/63/343832463.db2.gz MVRDCEBVQZDTRX-GHMZBOCLSA-N 2 0 224.308 0.104 40 0 BCABRP O[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@@H]1CCF ZINC000409435025 343835567 /nfs/dbraw/zinc/83/55/67/343835567.db2.gz SBEGEVHQWRQTOD-CMPLNLGQSA-N 2 0 230.327 0.781 40 0 BCABRP CC(C)C[C@@H]1CN(CC[NH3+])CC[C@@H]1O ZINC000409436051 343836684 /nfs/dbraw/zinc/83/66/84/343836684.db2.gz XVWTZXVRMHWTGH-MNOVXSKESA-N 2 0 200.326 0.674 40 0 BCABRP [NH3+]CCc1noc([C@H]2C[C@@H]3CCC[N@@H+]3C2)n1 ZINC000409438033 343849484 /nfs/dbraw/zinc/84/94/84/343849484.db2.gz BUBPGMAXUGDYFL-IUCAKERBSA-N 2 0 222.292 0.523 40 0 BCABRP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000216250274 259376736 /nfs/dbraw/zinc/37/67/36/259376736.db2.gz ZZJQCKLQXIFZES-PWSUYJOCSA-N 2 0 212.337 0.831 40 0 BCABRP CO[C@H]1C[N@H+](CCC[NH3+])C[C@H]1n1cccn1 ZINC000409434221 350472926 /nfs/dbraw/zinc/47/29/26/350472926.db2.gz OPLZGDDRRLENTQ-MNOVXSKESA-N 2 0 224.308 0.104 40 0 BCABRP C[N@@H+]1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409424268 350475689 /nfs/dbraw/zinc/47/56/89/350475689.db2.gz GKQIUIYOFHAUOP-VIFPVBQESA-N 2 0 209.297 0.079 40 0 BCABRP CC(=O)N1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000300763735 352573826 /nfs/dbraw/zinc/57/38/26/352573826.db2.gz OMDKHPBZEVIBMT-UHFFFAOYSA-N 2 0 225.336 0.420 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079419421 188292296 /nfs/dbraw/zinc/29/22/96/188292296.db2.gz IPDRZGHDKJWWRK-QWRGUYRKSA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000079419551 188292405 /nfs/dbraw/zinc/29/24/05/188292405.db2.gz BWGSVXNXQYHDKX-MNOVXSKESA-N 2 0 227.352 0.522 40 0 BCABRP C(C1CC1)[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531553 188321567 /nfs/dbraw/zinc/32/15/67/188321567.db2.gz RAGLPHWEVRGDQF-UHFFFAOYSA-N 2 0 210.321 0.851 40 0 BCABRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000237111864 363465765 /nfs/dbraw/zinc/46/57/65/363465765.db2.gz YDPNURNZGXEUBX-GFCCVEGCSA-N 2 0 239.363 0.526 40 0 BCABRP [NH3+]CC1CC[NH+](CCCN2CCOCC2)CC1 ZINC000096523633 181364796 /nfs/dbraw/zinc/36/47/96/181364796.db2.gz PUPPNEVOXKHZGE-UHFFFAOYSA-N 2 0 241.379 0.379 40 0 BCABRP CC[C@@H](C)[C@H]([NH3+])CN1CC[NH+](CC)CC1 ZINC000019852487 371194288 /nfs/dbraw/zinc/19/42/88/371194288.db2.gz ACCFMNPKQCCVEF-VXGBXAGGSA-N 2 0 213.369 0.997 40 0 BCABRP CC[C@@H](C)[C@@H]([NH3+])CN1CC[NH+](CC)CC1 ZINC000020073835 371226878 /nfs/dbraw/zinc/22/68/78/371226878.db2.gz ACCFMNPKQCCVEF-NEPJUHHUSA-N 2 0 213.369 0.997 40 0 BCABRP CCN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407199 384135717 /nfs/dbraw/zinc/13/57/17/384135717.db2.gz VTDUWTNWSKWRBA-VHSXEESVSA-N 2 0 213.325 0.276 40 0 BCABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCC[N@H+](C)C1 ZINC000079407600 384135937 /nfs/dbraw/zinc/13/59/37/384135937.db2.gz NKCXJYQXZIKVJK-RYUDHWBXSA-N 2 0 241.379 0.912 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000079407382 384136079 /nfs/dbraw/zinc/13/60/79/384136079.db2.gz YEZVOOKYYZSSNO-UWVGGRQHSA-N 2 0 225.336 0.276 40 0 BCABRP CCN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407579 384137141 /nfs/dbraw/zinc/13/71/41/384137141.db2.gz XHGUFNKTRQMTAX-RYUDHWBXSA-N 2 0 241.379 0.770 40 0 BCABRP CC[N@H+](CCO)C[C@@H]1CCC[NH+](C)C1 ZINC000079405969 384137699 /nfs/dbraw/zinc/13/76/99/384137699.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 2 0 200.326 0.642 40 0 BCABRP CCN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[NH3+] ZINC000079406902 384138157 /nfs/dbraw/zinc/13/81/57/384138157.db2.gz LCPUODCYPCBBBH-SNVBAGLBSA-N 2 0 213.325 0.135 40 0 BCABRP C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079419379 384141784 /nfs/dbraw/zinc/14/17/84/384141784.db2.gz SUSXUPCMBSPIBV-QWRGUYRKSA-N 2 0 225.336 0.467 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419533 384143602 /nfs/dbraw/zinc/14/36/02/384143602.db2.gz ODYVHPRLYYAJPJ-MVWJERBFSA-N 2 0 239.363 0.855 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC000079419565 384143675 /nfs/dbraw/zinc/14/36/75/384143675.db2.gz YPXCUZPYUJMYDU-RYUDHWBXSA-N 2 0 241.379 0.911 40 0 BCABRP CCN(C(=O)C[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178240 384282561 /nfs/dbraw/zinc/28/25/61/384282561.db2.gz IMEIFURLLCULBI-PHIMTYICSA-N 2 0 227.352 0.666 40 0 BCABRP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000096249678 384446013 /nfs/dbraw/zinc/44/60/13/384446013.db2.gz HLTHHXFZRNWOMW-ZIAGYGMSSA-N 2 0 247.342 0.892 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@@H+]1C ZINC000079407509 384492516 /nfs/dbraw/zinc/49/25/16/384492516.db2.gz FWIHOBKERAVFDU-RYUDHWBXSA-N 2 0 241.379 0.912 40 0 BCABRP C[NH+](C)[C@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210323 385068461 /nfs/dbraw/zinc/06/84/61/385068461.db2.gz DRTRPLQLKVCVGO-VXGBXAGGSA-N 2 0 208.305 0.857 40 0 BCABRP CC(C)CC[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000037823592 385311899 /nfs/dbraw/zinc/31/18/99/385311899.db2.gz BIXVCNRMNOFUKB-UHFFFAOYSA-N 2 0 213.325 0.135 40 0 BCABRP O=C(C1C[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000091412675 385314822 /nfs/dbraw/zinc/31/48/22/385314822.db2.gz WSTANLUENOJTEB-UHFFFAOYSA-N 2 0 237.347 0.293 40 0 BCABRP C[NH+](C)CCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218830219 386052714 /nfs/dbraw/zinc/05/27/14/386052714.db2.gz IHZPMEFRGBJJMK-VXGBXAGGSA-N 2 0 211.353 0.764 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC000247989321 386738267 /nfs/dbraw/zinc/73/82/67/386738267.db2.gz JTZCKYZOLYNWBH-CHWSQXEVSA-N 2 0 242.363 0.722 40 0 BCABRP C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH2+]C1CC1 ZINC000108020831 388610983 /nfs/dbraw/zinc/61/09/83/388610983.db2.gz BLPDWCVUTIIFNM-JQWIXIFHSA-N 2 0 212.337 0.974 40 0 BCABRP C[NH2+][C@@H](C)CNC(=O)c1c[nH+]ccc1N ZINC000261543216 388583306 /nfs/dbraw/zinc/58/33/06/388583306.db2.gz HQHJPFJZHWVQHQ-ZETCQYMHSA-N 2 0 208.265 0.002 40 0 BCABRP CC[NH+](CC)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094646690 388630978 /nfs/dbraw/zinc/63/09/78/388630978.db2.gz WUKBUQSSFHNLKN-RYUDHWBXSA-N 2 0 241.379 0.833 40 0 BCABRP CC[NH+](CC)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094646688 388631363 /nfs/dbraw/zinc/63/13/63/388631363.db2.gz WUKBUQSSFHNLKN-NEPJUHHUSA-N 2 0 241.379 0.833 40 0 BCABRP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccncc2)C1 ZINC000242463781 388743198 /nfs/dbraw/zinc/74/31/98/388743198.db2.gz DLDOHIRLUOCARN-RYUDHWBXSA-N 2 0 205.305 0.903 40 0 BCABRP [NH3+]CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262240142 135287145 /nfs/dbraw/zinc/28/71/45/135287145.db2.gz PAIQJIYBISFKAV-UHFFFAOYSA-N 2 0 211.309 0.032 40 0 BCABRP CN(C)C(=O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000096260815 172354497 /nfs/dbraw/zinc/35/44/97/172354497.db2.gz HQTIECSMXUOTAX-UHFFFAOYSA-N 2 0 239.363 0.539 40 0 BCABRP C[N@@H+]1CCC[C@H](CN(CC[NH3+])C2CC2)C1 ZINC000079406375 173042617 /nfs/dbraw/zinc/04/26/17/173042617.db2.gz CIALPHFUFRDTKS-NSHDSACASA-N 2 0 211.353 0.751 40 0 BCABRP COCC[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531560 174311281 /nfs/dbraw/zinc/31/12/81/174311281.db2.gz DFLOYUOFMMRRJN-UHFFFAOYSA-N 2 0 214.309 0.087 40 0 BCABRP C[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826926 175794803 /nfs/dbraw/zinc/79/48/03/175794803.db2.gz TWMCOKRFHBBPQX-LLVKDONJSA-N 2 0 239.363 0.811 40 0 BCABRP C[C@@H]1C[C@H](NCC[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000102759960 177238492 /nfs/dbraw/zinc/23/84/92/177238492.db2.gz KXVDQAXQVMYJPY-TUAOUCFPSA-N 2 0 213.369 0.866 40 0 BCABRP CC[NH+]1CCN(c2cc(C)c(C[NH3+])cn2)CC1 ZINC000072223623 259321500 /nfs/dbraw/zinc/32/15/00/259321500.db2.gz AKACIWWOOBTAOU-UHFFFAOYSA-N 2 0 234.347 0.991 40 0 BCABRP COC(=O)C[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000035748433 343303403 /nfs/dbraw/zinc/30/34/03/343303403.db2.gz VVGXXOWZXNYRRA-SECBINFHSA-N 2 0 202.298 0.479 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000079407709 187262964 /nfs/dbraw/zinc/26/29/64/187262964.db2.gz RXWBCVMMDVDYHM-NEPJUHHUSA-N 2 0 239.363 0.665 40 0 BCABRP CC(C)[N@H+](C)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079419338 187263107 /nfs/dbraw/zinc/26/31/07/187263107.db2.gz QURGNXSTQKULGJ-UHFFFAOYSA-N 2 0 227.352 0.713 40 0 BCABRP CC(C)N(CC[NH3+])C[C@H]1CCC[N@H+](C)C1 ZINC000079406306 187263230 /nfs/dbraw/zinc/26/32/30/187263230.db2.gz BJHZSMSLDOULJM-LBPRGKRZSA-N 2 0 213.369 0.997 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407467 187263297 /nfs/dbraw/zinc/26/32/97/187263297.db2.gz LHBMQESMKHTOFZ-WOPDTQHZSA-N 2 0 241.379 0.959 40 0 BCABRP CC(C)CCNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000049284430 343782141 /nfs/dbraw/zinc/78/21/41/343782141.db2.gz VPMHJJBCUPFNSO-UHFFFAOYSA-N 2 0 241.379 0.819 40 0 BCABRP CNc1cc(N2CCC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000128151559 343787192 /nfs/dbraw/zinc/78/71/92/343787192.db2.gz FYFVVNGILLULLI-UHFFFAOYSA-N 2 0 235.335 0.969 40 0 BCABRP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000140268858 343788938 /nfs/dbraw/zinc/78/89/38/343788938.db2.gz SAHSDNAJOZLPGR-LLVKDONJSA-N 2 0 237.347 0.293 40 0 BCABRP [NH3+]CCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000308474864 343790156 /nfs/dbraw/zinc/79/01/56/343790156.db2.gz KQXBOXSETKSVHE-ZETCQYMHSA-N 2 0 212.215 0.334 40 0 BCABRP CC(=O)N1CCC([N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000310060004 343790628 /nfs/dbraw/zinc/79/06/28/343790628.db2.gz KPCAPGSRZVXTQD-GFCCVEGCSA-N 2 0 239.363 0.668 40 0 BCABRP CO[C@@H]1CCO[C@@]2(CCC[N@H+](CCC[NH3+])C2)C1 ZINC000409426974 343799740 /nfs/dbraw/zinc/79/97/40/343799740.db2.gz DKWDUVJHNCYZOB-OLZOCXBDSA-N 2 0 242.363 0.995 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@H](O)[C@@H](CCF)C1 ZINC000409425344 343819326 /nfs/dbraw/zinc/81/93/26/343819326.db2.gz AJCNNHQRYNFYAL-UWVGGRQHSA-N 2 0 204.289 0.378 40 0 BCABRP NC(=[NH2+])N1CC[NH+](C2CCSCC2)CC1 ZINC000409425498 343819745 /nfs/dbraw/zinc/81/97/45/343819745.db2.gz GFQRBARYOJGXLT-UHFFFAOYSA-N 2 0 228.365 0.393 40 0 BCABRP [NH3+]CCCN1CCn2c(Cl)cnc2C1 ZINC000409431999 343824748 /nfs/dbraw/zinc/82/47/48/343824748.db2.gz KLABOFHKBCZRDB-UHFFFAOYSA-N 2 0 214.700 0.701 40 0 BCABRP NC(=[NH2+])N1CCN(c2cc[nH+]cc2)CC1 ZINC000409432084 343825300 /nfs/dbraw/zinc/82/53/00/343825300.db2.gz KVEWEPPUFZNZFG-UHFFFAOYSA-N 2 0 205.265 0.097 40 0 BCABRP O[C@H]1CCO[C@@]2(CC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432022 343825303 /nfs/dbraw/zinc/82/53/03/343825303.db2.gz KNFZAUSMOIKRHA-STQMWFEESA-N 2 0 240.347 0.354 40 0 BCABRP CC1(CO)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000402896451 343811406 /nfs/dbraw/zinc/81/14/06/343811406.db2.gz FAYYPRNDLOPZEO-UHFFFAOYSA-N 2 0 212.337 0.833 40 0 BCABRP CO[C@H]1C[N@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000409433485 343832476 /nfs/dbraw/zinc/83/24/76/343832476.db2.gz MVRDCEBVQZDTRX-QWRGUYRKSA-N 2 0 224.308 0.104 40 0 BCABRP [NH3+]CCC[N@@H+]1C[C@@H](CO)C2(CCCC2)C1 ZINC000409434646 343834504 /nfs/dbraw/zinc/83/45/04/343834504.db2.gz PYONUMUNYDRNDE-NSHDSACASA-N 2 0 212.337 0.820 40 0 BCABRP O[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@H]1CCF ZINC000409435028 343835759 /nfs/dbraw/zinc/83/57/59/343835759.db2.gz SBEGEVHQWRQTOD-ZYHUDNBSSA-N 2 0 230.327 0.781 40 0 BCABRP CO[C@@H]1CCO[C@@]2(CC[N@H+](CCC[NH3+])C2)C1 ZINC000409435768 343840138 /nfs/dbraw/zinc/84/01/38/343840138.db2.gz WMCFOWCZFCLEQX-NEPJUHHUSA-N 2 0 228.336 0.605 40 0 BCABRP CCO[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1OCC ZINC000409435804 343840179 /nfs/dbraw/zinc/84/01/79/343840179.db2.gz WOXFNCZICQYRQP-PHIMTYICSA-N 2 0 216.325 0.461 40 0 BCABRP C1C[C@@H]([NH+]2CCOCC2)[C@@H](N2CC[NH2+]CC2)C1 ZINC000409441575 343859898 /nfs/dbraw/zinc/85/98/98/343859898.db2.gz PUOWATBWXSBAFM-QWHCGFSZSA-N 2 0 239.363 0.145 40 0 BCABRP [NH3+]CCNC[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000081956887 345751059 /nfs/dbraw/zinc/75/10/59/345751059.db2.gz NDTXYMAGPAKHBA-SNVBAGLBSA-N 2 0 238.291 0.013 40 0 BCABRP Cc1n[nH]c(C)c1CN1CCC[C@@H]([NH3+])C1 ZINC000075134378 345843307 /nfs/dbraw/zinc/84/33/07/345843307.db2.gz UYGPZUYIEBHOSC-SNVBAGLBSA-N 2 0 208.309 0.950 40 0 BCABRP Cc1cc(N2CC[NH2+]CC2)nc(NC2CC2)[nH+]1 ZINC000084518705 345923369 /nfs/dbraw/zinc/92/33/69/345923369.db2.gz MAPSBZYZYNNBLZ-UHFFFAOYSA-N 2 0 233.319 0.769 40 0 BCABRP CO[C@H]1C[NH+](C2CC[NH2+]CC2)C[C@@H]1OC ZINC000300043635 346404494 /nfs/dbraw/zinc/40/44/94/346404494.db2.gz YETTYCYSDPLKON-QWRGUYRKSA-N 2 0 214.309 0.084 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101725 348053860 /nfs/dbraw/zinc/05/38/60/348053860.db2.gz TYJQETGDPOFZFJ-JTQLQIEISA-N 2 0 225.336 0.420 40 0 BCABRP CC(C)(C)OC(=O)[C@H]([NH3+])[C@H]1C[C@@H]([NH3+])C1 ZINC000602985744 351866062 /nfs/dbraw/zinc/86/60/62/351866062.db2.gz OGHGAJBVNRZRIL-GJMOJQLCSA-N 2 0 200.282 0.393 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC1CCC([NH+](C)C)CC1 ZINC000079407464 188291940 /nfs/dbraw/zinc/29/19/40/188291940.db2.gz RJCXBOCPEFGANO-MCIGGMRASA-N 2 0 241.379 0.959 40 0 BCABRP NC(=[NH2+])SC/C=C/CSC(N)=[NH2+] ZINC000004614076 181190738 /nfs/dbraw/zinc/19/07/38/181190738.db2.gz BUJIVJSWTZKBOZ-OWOJBTEDSA-N 2 0 204.324 0.796 40 0 BCABRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000237112046 363465178 /nfs/dbraw/zinc/46/51/78/363465178.db2.gz TYHWLXKIAYOOHF-NWDGAFQWSA-N 2 0 239.363 0.526 40 0 BCABRP [NH3+]C[C@H]1CCCCN1CCn1ccnc1 ZINC000044559158 491114274 /nfs/dbraw/zinc/11/42/74/491114274.db2.gz MWIKHXUGUWGYQG-LLVKDONJSA-N 2 0 208.309 0.696 40 0 BCABRP [NH3+]CC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000019843224 181365707 /nfs/dbraw/zinc/36/57/07/181365707.db2.gz JHCRVNDMNONLMP-UHFFFAOYSA-N 2 0 239.363 0.670 40 0 BCABRP [NH3+]CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000072207557 181392269 /nfs/dbraw/zinc/39/22/69/181392269.db2.gz OCVZWBIFDIRHNT-LBPRGKRZSA-N 2 0 211.353 0.895 40 0 BCABRP CC[C@@H](C)[C@@H]([NH3+])CN1CCC[N@H+](C)CC1 ZINC000020217792 368977169 /nfs/dbraw/zinc/97/71/69/368977169.db2.gz OIOOWQXSOJKXCN-NEPJUHHUSA-N 2 0 213.369 0.997 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000079407504 384135222 /nfs/dbraw/zinc/13/52/22/384135222.db2.gz JCPAWXBERRMKNW-QWRGUYRKSA-N 2 0 227.352 0.522 40 0 BCABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000079407592 384135539 /nfs/dbraw/zinc/13/55/39/384135539.db2.gz NKCXJYQXZIKVJK-NEPJUHHUSA-N 2 0 241.379 0.912 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407376 384135691 /nfs/dbraw/zinc/13/56/91/384135691.db2.gz LTMWWOFMNUWZPW-GXSJLCMTSA-N 2 0 225.336 0.419 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407417 384135704 /nfs/dbraw/zinc/13/57/04/384135704.db2.gz ZREKNIHHRZIIQW-QWRGUYRKSA-N 2 0 239.363 0.666 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000079407387 384136263 /nfs/dbraw/zinc/13/62/63/384136263.db2.gz HNGGYBXVWVGZEZ-GXSJLCMTSA-N 2 0 225.336 0.419 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000079407152 384136679 /nfs/dbraw/zinc/13/66/79/384136679.db2.gz KCGIYIVTOJXTEM-UWVGGRQHSA-N 2 0 213.325 0.134 40 0 BCABRP CCN(C(=O)C[NH3+])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079406925 384137520 /nfs/dbraw/zinc/13/75/20/384137520.db2.gz QXGGMYDCPOVOOW-MNOVXSKESA-N 2 0 227.352 0.666 40 0 BCABRP C[N@H+](C1CC1)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079430295 384146643 /nfs/dbraw/zinc/14/66/43/384146643.db2.gz MBGOCQJKVLQHJV-UHFFFAOYSA-N 2 0 225.336 0.467 40 0 BCABRP C[NH+](C)C1([C@@H](C[NH3+])CO)CCCCC1 ZINC000072210376 384153606 /nfs/dbraw/zinc/15/36/06/384153606.db2.gz KVHTXDYFBOXQRQ-JTQLQIEISA-N 2 0 200.326 0.818 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCCN(CC[NH3+])C1 ZINC000079419023 384142784 /nfs/dbraw/zinc/14/27/84/384142784.db2.gz GJHOPLQEBCJVKA-GFCCVEGCSA-N 2 0 213.369 0.997 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079419328 384143854 /nfs/dbraw/zinc/14/38/54/384143854.db2.gz YPFKVPFHGAPQJY-LLVKDONJSA-N 2 0 227.352 0.666 40 0 BCABRP C[NH+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000074920902 384310468 /nfs/dbraw/zinc/31/04/68/384310468.db2.gz RHFDPDQEPFLBCW-UHFFFAOYSA-N 2 0 227.352 0.396 40 0 BCABRP C[N@H+](C1CC1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178282 384282804 /nfs/dbraw/zinc/28/28/04/384282804.db2.gz MBGOCQJKVLQHJV-AOOOYVTPSA-N 2 0 225.336 0.467 40 0 BCABRP C[NH+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000074707300 384299618 /nfs/dbraw/zinc/29/96/18/384299618.db2.gz UGPUYQMOXOBRBY-UHFFFAOYSA-N 2 0 213.325 0.006 40 0 BCABRP C[C@@H]([NH3+])c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225513 385110967 /nfs/dbraw/zinc/11/09/67/385110967.db2.gz AZXFGIPRBMDMME-SECBINFHSA-N 2 0 206.293 0.511 40 0 BCABRP CCS(=O)(=O)[C@]1(C[NH3+])C[C@H](C[NH3+])C[C@@H]1C ZINC000096532544 385284586 /nfs/dbraw/zinc/28/45/86/385284586.db2.gz BPSSMVVYPCRBDD-AEJSXWLSSA-N 2 0 234.365 0.123 40 0 BCABRP C[N@@H+]1CCC[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000409422654 385330028 /nfs/dbraw/zinc/33/00/28/385330028.db2.gz HFRPGOKKGLQJBY-JTQLQIEISA-N 2 0 225.336 0.278 40 0 BCABRP [NH3+]CCCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000409428979 385328414 /nfs/dbraw/zinc/32/84/14/385328414.db2.gz NKSUBCUVAPVPOM-NSHDSACASA-N 2 0 229.393 0.458 40 0 BCABRP C[NH+](C)CCn1c(=O)ccc2c1CC[NH2+]CC2 ZINC000306130593 385993058 /nfs/dbraw/zinc/99/30/58/385993058.db2.gz JKOFNTOFQCUHEI-UHFFFAOYSA-N 2 0 235.331 0.098 40 0 BCABRP CCCC[N@H+](C)C[C@@H](O)CN1CCC[NH2+]CC1 ZINC000064875803 388672381 /nfs/dbraw/zinc/67/23/81/388672381.db2.gz ZWCNNIQFWKTYRY-CYBMUJFWSA-N 2 0 243.395 0.375 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@@H](CC2CC[NH2+]CC2)C1 ZINC000242495172 388806166 /nfs/dbraw/zinc/80/61/66/388806166.db2.gz FXUPCOUPIFDJHY-RYUDHWBXSA-N 2 0 212.337 0.689 40 0 BCABRP C[N@@H+]1CC[C@@H](O)[C@H](CC2CC[NH2+]CC2)C1 ZINC000242495173 388806553 /nfs/dbraw/zinc/80/65/53/388806553.db2.gz FXUPCOUPIFDJHY-VXGBXAGGSA-N 2 0 212.337 0.689 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@H](CC2CC[NH2+]CC2)C1 ZINC000242495170 388806728 /nfs/dbraw/zinc/80/67/28/388806728.db2.gz FXUPCOUPIFDJHY-NEPJUHHUSA-N 2 0 212.337 0.689 40 0 BCABRP C[NH+](C)CCCNc1cc(OCC[NH3+])ncn1 ZINC000409431278 398085403 /nfs/dbraw/zinc/08/54/03/398085403.db2.gz LZVZTLCIAADYIY-UHFFFAOYSA-N 2 0 239.323 0.178 40 0 BCABRP CCNC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042835 170099637 /nfs/dbraw/zinc/09/96/37/170099637.db2.gz OPXZEYRARUSRTO-LLVKDONJSA-N 2 0 225.336 0.339 40 0 BCABRP C[N@@H+]1CCCC[C@H]1CN(CC[NH3+])C1CC1 ZINC000079406369 173006583 /nfs/dbraw/zinc/00/65/83/173006583.db2.gz AFRWSEIPOOWDDD-LBPRGKRZSA-N 2 0 211.353 0.894 40 0 BCABRP C[N@@H+]1CCC[C@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828885 173048854 /nfs/dbraw/zinc/04/88/54/173048854.db2.gz RCFIMXTVQPKQJE-VIFPVBQESA-N 2 0 224.308 0.770 40 0 BCABRP C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2cccnc2)C1 ZINC000082379345 173148101 /nfs/dbraw/zinc/14/81/01/173148101.db2.gz JVZFEGVETJRMMF-NEPJUHHUSA-N 2 0 205.305 0.903 40 0 BCABRP Cn1cc[nH+]c1N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306126902 491118399 /nfs/dbraw/zinc/11/83/99/491118399.db2.gz FIKNSLVFMNFIIH-SNVBAGLBSA-N 2 0 236.319 0.743 40 0 BCABRP CC[NH+]1CCN(c2ccc(C[NH3+])c(C)n2)CC1 ZINC000072224668 259322186 /nfs/dbraw/zinc/32/21/86/259322186.db2.gz GHADIYOJTOWDTR-UHFFFAOYSA-N 2 0 234.347 0.991 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@H](C[C@@H]2CCC[NH2+]C2)C1 ZINC000242463487 398314139 /nfs/dbraw/zinc/31/41/39/398314139.db2.gz DCXKJKJIJXJQFF-TUAOUCFPSA-N 2 0 212.337 0.689 40 0 BCABRP NC(=[NH2+])c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000144761920 342991488 /nfs/dbraw/zinc/99/14/88/342991488.db2.gz CWRDDYBZNYVLJA-LLVKDONJSA-N 2 0 246.314 0.339 40 0 BCABRP CC(C)N(C[C@H]1CCCC[N@@H+]1C)C(=O)C[NH3+] ZINC000079406969 187263599 /nfs/dbraw/zinc/26/35/99/187263599.db2.gz FTAVDGTUWKRVMD-LLVKDONJSA-N 2 0 227.352 0.666 40 0 BCABRP COC(=O)[C@H](C)C[NH2+]CCCn1ccnc1 ZINC000047219181 343559850 /nfs/dbraw/zinc/55/98/50/343559850.db2.gz YMFYIOWJZXPKPG-SNVBAGLBSA-N 2 0 225.292 0.672 40 0 BCABRP C1CC([NH+]2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC000328366764 343796632 /nfs/dbraw/zinc/79/66/32/343796632.db2.gz COYHAHFFKITNJF-UHFFFAOYSA-N 2 0 223.364 0.909 40 0 BCABRP Cc1nc(NCC[NH3+])cc(N2CCC2)[nH+]1 ZINC000409425876 343820891 /nfs/dbraw/zinc/82/08/91/343820891.db2.gz CCAPGZICFZHUJL-UHFFFAOYSA-N 2 0 207.281 0.366 40 0 BCABRP CCOC[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1C ZINC000409432634 343827234 /nfs/dbraw/zinc/82/72/34/343827234.db2.gz LMFCFPZOLHQXRO-MNOVXSKESA-N 2 0 200.326 0.940 40 0 BCABRP CO[C@H]1CCOC2(CC[NH+](CCC[NH3+])CC2)C1 ZINC000409428764 343804210 /nfs/dbraw/zinc/80/42/10/343804210.db2.gz NAICVDQMGYWRIV-LBPRGKRZSA-N 2 0 242.363 0.995 40 0 BCABRP [NH3+]CCCN1CC[NH+](C2CCSCC2)CC1 ZINC000409429038 343804596 /nfs/dbraw/zinc/80/45/96/343804596.db2.gz NOZLKRHARRPYIF-UHFFFAOYSA-N 2 0 243.420 0.848 40 0 BCABRP C[C@@H](O)[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000409430563 343808528 /nfs/dbraw/zinc/80/85/28/343808528.db2.gz QRNKRPGQSFSCAZ-ZYHUDNBSSA-N 2 0 212.337 0.974 40 0 BCABRP [NH2+]=C(CN1CC[NH+](C2CCC2)CC1)NO ZINC000382321582 343809609 /nfs/dbraw/zinc/80/96/09/343809609.db2.gz TZFOJBJSDUMIBE-UHFFFAOYSA-N 2 0 212.297 0.113 40 0 BCABRP O[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@@H]1CCF ZINC000409435026 343835739 /nfs/dbraw/zinc/83/57/39/343835739.db2.gz SBEGEVHQWRQTOD-JQWIXIFHSA-N 2 0 230.327 0.781 40 0 BCABRP CCO[C@@H]1C[NH+](CCC[NH3+])C[C@H]1OCC ZINC000409435803 343839864 /nfs/dbraw/zinc/83/98/64/343839864.db2.gz WOXFNCZICQYRQP-GHMZBOCLSA-N 2 0 216.325 0.461 40 0 BCABRP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158307266 344266684 /nfs/dbraw/zinc/26/66/84/344266684.db2.gz DKWXAKVNYYPTQG-QWRGUYRKSA-N 2 0 225.336 0.278 40 0 BCABRP Cc1nc(NC2CC[NH+](C)CC2)cc(N)[nH+]1 ZINC000087810404 345941852 /nfs/dbraw/zinc/94/18/52/345941852.db2.gz LUALHQJYQQRKTA-UHFFFAOYSA-N 2 0 221.308 0.873 40 0 BCABRP Cc1nc(NCCC[NH+](C)C)cc(N)[nH+]1 ZINC000087808292 345941942 /nfs/dbraw/zinc/94/19/42/345941942.db2.gz RAPPUNVBTBOGOP-UHFFFAOYSA-N 2 0 209.297 0.731 40 0 BCABRP CCCC[N@H+](CC)C[C@@H](O)CN1CC[NH2+]CC1 ZINC000045919761 350041935 /nfs/dbraw/zinc/04/19/35/350041935.db2.gz SXJUFELJVAICJA-CYBMUJFWSA-N 2 0 243.395 0.375 40 0 BCABRP CO[C@H]1C[N@H+](CCC[NH3+])C[C@@H]1n1cccn1 ZINC000409434222 350473530 /nfs/dbraw/zinc/47/35/30/350473530.db2.gz OPLZGDDRRLENTQ-QWRGUYRKSA-N 2 0 224.308 0.104 40 0 BCABRP CO[C@@H]1CCO[C@]2(CC[N@H+](CCC[NH3+])C2)C1 ZINC000409435771 350478898 /nfs/dbraw/zinc/47/88/98/350478898.db2.gz WMCFOWCZFCLEQX-VXGBXAGGSA-N 2 0 228.336 0.605 40 0 BCABRP C[NH+](C)CCCN1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218840839 187904956 /nfs/dbraw/zinc/90/49/56/187904956.db2.gz BZRHNCMYNXMFJY-VXGBXAGGSA-N 2 0 211.353 0.764 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972024 188014418 /nfs/dbraw/zinc/01/44/18/188014418.db2.gz MPULQAZKGXFYJC-ZJUUUORDSA-N 2 0 213.325 0.132 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972023 188014563 /nfs/dbraw/zinc/01/45/63/188014563.db2.gz MPULQAZKGXFYJC-UWVGGRQHSA-N 2 0 213.325 0.132 40 0 BCABRP NC(=[NH2+])Nc1nc(CSC(N)=[NH2+])cs1 ZINC000002241666 181191048 /nfs/dbraw/zinc/19/10/48/181191048.db2.gz QUBHCMPAOWIZMT-UHFFFAOYSA-N 2 0 230.322 0.575 40 0 in-vitro BCABRP CC(C)[N@H+](C)[C@H]1CC[C@@H](NC(=O)C[NH3+])CC1 ZINC000150150161 368352349 /nfs/dbraw/zinc/35/23/49/368352349.db2.gz QURGNXSTQKULGJ-XYPYZODXSA-N 2 0 227.352 0.713 40 0 BCABRP [NH3+]CCCCC[C@H]([NH3+])[C@@H]([NH3+])CCCCC[NH3+] ZINC000167725078 368352614 /nfs/dbraw/zinc/35/26/14/368352614.db2.gz IBFISXWMMUEZCG-RYUDHWBXSA-N 4 0 230.400 0.679 40 0 BCABRP CC[NH+]1CCN(C[C@@H]([NH3+])CCSC)CC1 ZINC000019852815 371193867 /nfs/dbraw/zinc/19/38/67/371193867.db2.gz IRXYRJDFAWHKHL-NSHDSACASA-N 2 0 231.409 0.704 40 0 BCABRP [NH3+][C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000096523511 181650642 /nfs/dbraw/zinc/65/06/42/181650642.db2.gz PSSGIFZQLJLLHO-LBPRGKRZSA-N 2 0 211.353 0.895 40 0 BCABRP CC[NH+]1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000058058325 371958259 /nfs/dbraw/zinc/95/82/59/371958259.db2.gz ILIYIDSULOQMEX-GFCCVEGCSA-N 2 0 213.369 0.997 40 0 BCABRP CCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[NH3+] ZINC000079407244 384137947 /nfs/dbraw/zinc/13/79/47/384137947.db2.gz GEEGVVRCKTWNTO-JTQLQIEISA-N 2 0 227.352 0.524 40 0 BCABRP C[NH+]1CCC(C[N@H+](CCN)C2CC2)CC1 ZINC000079406383 384136171 /nfs/dbraw/zinc/13/61/71/384136171.db2.gz JTJHSGYZWORLDU-UHFFFAOYSA-N 2 0 211.353 0.751 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407479 384137090 /nfs/dbraw/zinc/13/70/90/384137090.db2.gz LHBMQESMKHTOFZ-UTUOFQBUSA-N 2 0 241.379 0.959 40 0 BCABRP C[C@H]([NH3+])C(=O)N(CC1CC[NH+](C)CC1)C1CC1 ZINC000079407425 384137263 /nfs/dbraw/zinc/13/72/63/384137263.db2.gz OBIOWXAJGGJZTN-JTQLQIEISA-N 2 0 239.363 0.666 40 0 BCABRP C[N@H+](C[C@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079419366 384143974 /nfs/dbraw/zinc/14/39/74/384143974.db2.gz HUKSUYKXKDHYBA-SNVBAGLBSA-N 2 0 211.309 0.030 40 0 BCABRP C[N@H+](C[C@H]1CCCCN1CC[NH3+])C1CC1 ZINC000079419069 384145519 /nfs/dbraw/zinc/14/55/19/384145519.db2.gz CJEDYCUQUSQVCJ-GFCCVEGCSA-N 2 0 211.353 0.894 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177568 384283454 /nfs/dbraw/zinc/28/34/54/384283454.db2.gz HRHHREQZTRBMOL-LPEHRKFASA-N 2 0 213.325 0.323 40 0 BCABRP C[NH+]1CCC(C[N@H+](CCO)C2CC2)CC1 ZINC000083318654 384289676 /nfs/dbraw/zinc/28/96/76/384289676.db2.gz YXQDLGMNKWEIBK-UHFFFAOYSA-N 2 0 212.337 0.785 40 0 BCABRP C[NH+](C)C[C@@H]1CCC[C@@H](C[NH+](C)C)C1O ZINC000001670758 384430242 /nfs/dbraw/zinc/43/02/42/384430242.db2.gz NWOOXUIGWYJUKB-QWRGUYRKSA-N 2 0 214.353 0.887 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCN(C)[C@H](C)C1 ZINC000079420046 384495950 /nfs/dbraw/zinc/49/59/50/384495950.db2.gz KEYAYXXXNNZSDU-ZJUUUORDSA-N 2 0 213.325 0.132 40 0 BCABRP C[NH+](C)CCC[NH2+]CC1CCOCC1 ZINC000052171915 384721277 /nfs/dbraw/zinc/72/12/77/384721277.db2.gz WTKKIQFCRBLVHT-UHFFFAOYSA-N 2 0 200.326 0.954 40 0 BCABRP Cc1nc(N2CC[NH2+]CC2)ccc1[C@H](C)[NH3+] ZINC000072224627 385119501 /nfs/dbraw/zinc/11/95/01/385119501.db2.gz WTMNGKARIAIETK-VIFPVBQESA-N 2 0 220.320 0.819 40 0 BCABRP O=C(C1C[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000091415320 385314877 /nfs/dbraw/zinc/31/48/77/385314877.db2.gz IGIDYEJYQFBDMI-UHFFFAOYSA-N 2 0 237.347 0.293 40 0 BCABRP CCS(=O)(=O)[C@@]1(C[NH3+])C[C@@H](C[NH3+])C[C@@H]1C ZINC000096532550 385285449 /nfs/dbraw/zinc/28/54/49/385285449.db2.gz BPSSMVVYPCRBDD-LPEHRKFASA-N 2 0 234.365 0.123 40 0 BCABRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000409422655 385329376 /nfs/dbraw/zinc/32/93/76/385329376.db2.gz HFRPGOKKGLQJBY-SNVBAGLBSA-N 2 0 225.336 0.278 40 0 BCABRP NC(=[NH2+])N1CCC([NH+]2CCSCC2)CC1 ZINC000409424510 385331834 /nfs/dbraw/zinc/33/18/34/385331834.db2.gz CELOAHXYBQWLHV-UHFFFAOYSA-N 2 0 228.365 0.393 40 0 BCABRP CC(C)C[C@H]([NH3+])CN1CCC[N@H+](C)CC1 ZINC000020217787 385666885 /nfs/dbraw/zinc/66/68/85/385666885.db2.gz NKNQMZOSROMBJG-LBPRGKRZSA-N 2 0 213.369 0.997 40 0 BCABRP [NH3+][C@H]1CCCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000218852709 388392818 /nfs/dbraw/zinc/39/28/18/388392818.db2.gz MUMDWSBDNNTCKK-RYUDHWBXSA-N 2 0 227.352 0.178 40 0 BCABRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094646689 388631116 /nfs/dbraw/zinc/63/11/16/388631116.db2.gz WUKBUQSSFHNLKN-NWDGAFQWSA-N 2 0 241.379 0.833 40 0 BCABRP c1cc2c(cc[nH+]c2N2CC[NH2+]CC2)[nH]1 ZINC000045328768 132298532 /nfs/dbraw/zinc/29/85/32/132298532.db2.gz OLFWGDMDZCFCPV-UHFFFAOYSA-N 2 0 202.261 0.973 40 0 BCABRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000087121983 135107054 /nfs/dbraw/zinc/10/70/54/135107054.db2.gz MHVQBDFSJRWPGK-UWVGGRQHSA-N 2 0 213.325 0.052 40 0 BCABRP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000306124803 167035985 /nfs/dbraw/zinc/03/59/85/167035985.db2.gz BZWGVEAQIASYPC-AGIUHOORSA-N 2 0 249.362 0.739 40 0 BCABRP C[NH+]1CCC2(CC1)N[C@@H]1CC[N@H+](C)C[C@@H]1S2 ZINC000001585581 173003161 /nfs/dbraw/zinc/00/31/61/173003161.db2.gz WUJYVICVAOOGLA-MNOVXSKESA-N 2 0 241.404 0.817 40 0 BCABRP C[N@@H+]1CCCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000020246693 173011480 /nfs/dbraw/zinc/01/14/80/173011480.db2.gz FCLPVRZENMFOCY-UHFFFAOYSA-N 2 0 239.363 0.540 40 0 BCABRP C[N@@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019695428 173023324 /nfs/dbraw/zinc/02/33/24/173023324.db2.gz SBNUDJXEPRZOJL-SNVBAGLBSA-N 2 0 235.335 0.233 40 0 BCABRP C[N@@H+]1CCC[C@@H](c2nc(CCC[NH3+])no2)C1 ZINC000218377286 173023439 /nfs/dbraw/zinc/02/34/39/173023439.db2.gz DHMRNUPJXOEFDA-SECBINFHSA-N 2 0 224.308 0.770 40 0 BCABRP C[N@H+]1CCc2nnc([C@H]3CCC[NH2+]C3)n2CC1 ZINC000072343602 173173901 /nfs/dbraw/zinc/17/39/01/173173901.db2.gz QXOLGIZUZZCDRZ-JTQLQIEISA-N 2 0 235.335 0.233 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242548075 524818892 /nfs/dbraw/zinc/81/88/92/524818892.db2.gz LBMFZWJKOGFOBV-DCAQKATOSA-N 2 0 227.352 0.665 40 0 BCABRP Cc1nc(N2CCC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC000259076220 643382138 /nfs/dbraw/zinc/38/21/38/643382138.db2.gz XRYSHMQZYKFUDD-UHFFFAOYSA-N 2 0 235.335 0.651 40 0 BCABRP C[NH+](C)Cc1cocc(C[NH+](C)C)c1=O ZINC000001565527 342703169 /nfs/dbraw/zinc/70/31/69/342703169.db2.gz FLKIQMRYFUWOES-UHFFFAOYSA-N 2 0 210.277 0.763 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@H](C[C@H]2CCC[NH2+]C2)C1 ZINC000242463489 398314125 /nfs/dbraw/zinc/31/41/25/398314125.db2.gz DCXKJKJIJXJQFF-UTUOFQBUSA-N 2 0 212.337 0.689 40 0 BCABRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000218852645 398328921 /nfs/dbraw/zinc/32/89/21/398328921.db2.gz MUMDWSBDNNTCKK-NEPJUHHUSA-N 2 0 227.352 0.178 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079419419 187263740 /nfs/dbraw/zinc/26/37/40/187263740.db2.gz IPDRZGHDKJWWRK-WDEREUQCSA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538775 187268362 /nfs/dbraw/zinc/26/83/62/187268362.db2.gz JJNCQGUDLDTSQA-QWRGUYRKSA-N 2 0 227.352 0.428 40 0 BCABRP CCCCNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000049280635 343781694 /nfs/dbraw/zinc/78/16/94/343781694.db2.gz PTHRHOSRZUTDIR-UHFFFAOYSA-N 2 0 227.352 0.573 40 0 BCABRP CC(=O)N1CCC([NH+]2CCC(C[NH3+])CC2)CC1 ZINC000220304077 343793177 /nfs/dbraw/zinc/79/31/77/343793177.db2.gz PWWZPOBEXSLFCM-UHFFFAOYSA-N 2 0 239.363 0.668 40 0 BCABRP CC(C)C[N@@H+]1CCOC[C@H]2C[NH2+]CC[C@@H]21 ZINC000409423233 343814768 /nfs/dbraw/zinc/81/47/68/343814768.db2.gz MTKMILKXAJGUJB-NEPJUHHUSA-N 2 0 212.337 0.953 40 0 BCABRP CC(C)C[N@@H+]1CCOC[C@H]2C[NH2+]CC[C@H]21 ZINC000409423237 343814834 /nfs/dbraw/zinc/81/48/34/343814834.db2.gz MTKMILKXAJGUJB-VXGBXAGGSA-N 2 0 212.337 0.953 40 0 BCABRP COC[C@]1(C(F)(F)F)CCN(CC[NH3+])C1 ZINC000409432003 343824683 /nfs/dbraw/zinc/82/46/83/343824683.db2.gz KLDYCNUBQDRTPO-QMMMGPOBSA-N 2 0 226.242 0.846 40 0 BCABRP [NH3+]CCC[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409429672 343806237 /nfs/dbraw/zinc/80/62/37/343806237.db2.gz PCPHYRSXUVYRFY-NSHDSACASA-N 2 0 228.336 0.341 40 0 BCABRP CC1(C)C[N@@H+](C2CC[NH2+]CC2)C[C@H]1CO ZINC000409434768 343835091 /nfs/dbraw/zinc/83/50/91/343835091.db2.gz QMTRWNSCRHODAR-JTQLQIEISA-N 2 0 212.337 0.689 40 0 BCABRP CCO[C@H]1C[N@H+](CCC[NH3+])C[C@@H]1OC ZINC000409436471 343838147 /nfs/dbraw/zinc/83/81/47/343838147.db2.gz ZZAAKRVVPNQTOU-UWVGGRQHSA-N 2 0 202.298 0.071 40 0 BCABRP CO[C@H]1CCO[C@]2(CC[N@H+](CCC[NH3+])C2)C1 ZINC000409435769 343839831 /nfs/dbraw/zinc/83/98/31/343839831.db2.gz WMCFOWCZFCLEQX-NWDGAFQWSA-N 2 0 228.336 0.605 40 0 BCABRP C1CC[NH+]([C@@H]2CCC[C@@H]2N2CC[NH2+]CC2)C1 ZINC000409437754 343848994 /nfs/dbraw/zinc/84/89/94/343848994.db2.gz BDGSMQPSOLBFBT-OLZOCXBDSA-N 2 0 223.364 0.909 40 0 BCABRP C1C[C@H](N2CC[NH2+]CC2)[C@@H]([NH+]2CCOCC2)C1 ZINC000409441577 343859933 /nfs/dbraw/zinc/85/99/33/343859933.db2.gz PUOWATBWXSBAFM-STQMWFEESA-N 2 0 239.363 0.145 40 0 BCABRP CC[NH+](CC)CCOc1nccnc1C[NH3+] ZINC000054378721 259372498 /nfs/dbraw/zinc/37/24/98/259372498.db2.gz RYEIPAIVCYYKBY-UHFFFAOYSA-N 2 0 224.308 0.656 40 0 BCABRP Cc1nc(N2CC[NH2+]CC2)cc(NC2CC2)[nH+]1 ZINC000258858619 345786109 /nfs/dbraw/zinc/78/61/09/345786109.db2.gz BXQZBJTYPIRQMG-UHFFFAOYSA-N 2 0 233.319 0.769 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000079407459 188291276 /nfs/dbraw/zinc/29/12/76/188291276.db2.gz AWKZFUDBIYSRKO-ZJUUUORDSA-N 2 0 213.325 0.180 40 0 BCABRP CC(C)N(C(=O)C[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000079406959 188291682 /nfs/dbraw/zinc/29/16/82/188291682.db2.gz ITEHCPSXNOLCGE-JTQLQIEISA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)N(C[C@H]1CCC[N@H+](C)C1)C(=O)C[NH3+] ZINC000079406979 188292101 /nfs/dbraw/zinc/29/21/01/188292101.db2.gz SHNDZFIRTRDJJM-NSHDSACASA-N 2 0 227.352 0.524 40 0 BCABRP NC(=[NH2+])SC/C=C\CSC(N)=[NH2+] ZINC000004428855 181191568 /nfs/dbraw/zinc/19/15/68/181191568.db2.gz BUJIVJSWTZKBOZ-UPHRSURJSA-N 2 0 204.324 0.796 40 0 BCABRP [NH3+]CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169809360 181367074 /nfs/dbraw/zinc/36/70/74/181367074.db2.gz JYHAEERNQQKMSO-GFCCVEGCSA-N 2 0 233.315 0.508 40 0 BCABRP [NH3+]CCc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000044373636 181412230 /nfs/dbraw/zinc/41/22/30/181412230.db2.gz LDFQXSKZZJTLSH-GFCCVEGCSA-N 2 0 206.289 0.929 40 0 BCABRP [NH3+]CCCCC[C@@H]([NH3+])[C@@H]([NH3+])CCCCC[NH3+] ZINC000167724958 368352575 /nfs/dbraw/zinc/35/25/75/368352575.db2.gz IBFISXWMMUEZCG-TXEJJXNPSA-N 3 0 230.400 0.679 40 0 BCABRP CC[NH+]1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000058058321 371957526 /nfs/dbraw/zinc/95/75/26/371957526.db2.gz ILIYIDSULOQMEX-LBPRGKRZSA-N 2 0 213.369 0.997 40 0 BCABRP CCN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407242 384134979 /nfs/dbraw/zinc/13/49/79/384134979.db2.gz GHQCYMBMHGDENQ-QWRGUYRKSA-N 2 0 227.352 0.524 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C1 ZINC000079407502 384135899 /nfs/dbraw/zinc/13/58/99/384135899.db2.gz RWUFYIGFHGPTBN-UWVGGRQHSA-N 2 0 213.325 0.132 40 0 BCABRP C[C@H]([NH3+])C(=O)NC1CCC([NH+](C)C)CC1 ZINC000079407106 384136037 /nfs/dbraw/zinc/13/60/37/384136037.db2.gz HRHHREQZTRBMOL-IDKOKCKLSA-N 2 0 213.325 0.323 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407181 384136371 /nfs/dbraw/zinc/13/63/71/384136371.db2.gz BUTQYGAROIBXNU-AXFHLTTASA-N 2 0 227.352 0.665 40 0 BCABRP CCN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407194 384136827 /nfs/dbraw/zinc/13/68/27/384136827.db2.gz VTDUWTNWSKWRBA-UWVGGRQHSA-N 2 0 213.325 0.276 40 0 BCABRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079430283 384146928 /nfs/dbraw/zinc/14/69/28/384146928.db2.gz UWTSFSVFUHAGDV-JTQLQIEISA-N 2 0 225.336 0.278 40 0 BCABRP CCOC(=O)[C@@H](C[NH3+])C(C)(C)[NH+](C)C ZINC000072210404 384153094 /nfs/dbraw/zinc/15/30/94/384153094.db2.gz BRKZOWNHUFOYFC-MRVPVSSYSA-N 2 0 202.298 0.465 40 0 BCABRP CC(C)([C@@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210344 384154718 /nfs/dbraw/zinc/15/47/18/384154718.db2.gz RHTCFBCBXOIKFX-JTQLQIEISA-N 2 0 200.326 0.818 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)C2CC2)C1 ZINC000079419483 384141850 /nfs/dbraw/zinc/14/18/50/384141850.db2.gz CUKRQMHIJBTQQN-VHSXEESVSA-N 2 0 225.336 0.276 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000079419407 384142619 /nfs/dbraw/zinc/14/26/19/384142619.db2.gz QYVHMIUWKJAMOC-VHSXEESVSA-N 2 0 213.325 0.134 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000079419547 384142628 /nfs/dbraw/zinc/14/26/28/384142628.db2.gz BWGSVXNXQYHDKX-QWRGUYRKSA-N 2 0 227.352 0.522 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419502 384142761 /nfs/dbraw/zinc/14/27/61/384142761.db2.gz XJEFNDJOLXCQHN-CMPLNLGQSA-N 2 0 239.363 0.809 40 0 BCABRP C[N@H+](C[C@@H]1CCCCN1CC[NH3+])C1CC1 ZINC000079419065 384143807 /nfs/dbraw/zinc/14/38/07/384143807.db2.gz CJEDYCUQUSQVCJ-LBPRGKRZSA-N 2 0 211.353 0.894 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419527 384144129 /nfs/dbraw/zinc/14/41/29/384144129.db2.gz ODYVHPRLYYAJPJ-WCQGTBRESA-N 2 0 239.363 0.855 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](C)C2CC2)C1 ZINC000079419516 384144277 /nfs/dbraw/zinc/14/42/77/384144277.db2.gz JDSDHTLGADSAJV-WDEREUQCSA-N 2 0 239.363 0.666 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419425 384145208 /nfs/dbraw/zinc/14/52/08/384145208.db2.gz CMOGMHHVHYNUEG-WDEREUQCSA-N 2 0 227.352 0.522 40 0 BCABRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000026896612 384415491 /nfs/dbraw/zinc/41/54/91/384415491.db2.gz KVPXVSDIYOYVKS-JTQLQIEISA-N 2 0 226.320 0.623 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419495 384495815 /nfs/dbraw/zinc/49/58/15/384495815.db2.gz BXZYKXSUWWNZEA-GXSJLCMTSA-N 2 0 225.336 0.419 40 0 BCABRP C[N@@H+]1CCC[C@@H]1Cc1nc(CC[NH3+])no1 ZINC000258051828 384928648 /nfs/dbraw/zinc/92/86/48/384928648.db2.gz PDBYACPCGXLSMD-MRVPVSSYSA-N 2 0 210.281 0.208 40 0 BCABRP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CC(C[NH3+])C1 ZINC000575624467 386545207 /nfs/dbraw/zinc/54/52/07/386545207.db2.gz DNCNWRJXCUAEIO-HACHORDNSA-N 2 0 214.309 0.640 40 0 BCABRP Cn1nccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000044512312 386795872 /nfs/dbraw/zinc/79/58/72/386795872.db2.gz HQGDHMMAJFHJCA-UHFFFAOYSA-N 2 0 208.309 0.591 40 0 BCABRP C[NH+](C)CCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225712254 388841102 /nfs/dbraw/zinc/84/11/02/388841102.db2.gz IHZPMEFRGBJJMK-RYUDHWBXSA-N 2 0 211.353 0.764 40 0 BCABRP C[NH+]1CCC(N[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000225720390 388842468 /nfs/dbraw/zinc/84/24/68/388842468.db2.gz RCWJXZXIEZZDJZ-NWDGAFQWSA-N 2 0 211.353 0.940 40 0 BCABRP Cc1cc(NCC[NH3+])nc(N2CCCC2)[nH+]1 ZINC000409425800 411646178 /nfs/dbraw/zinc/64/61/78/411646178.db2.gz BOXFYDRAQPPFHD-UHFFFAOYSA-N 2 0 221.308 0.756 40 0 BCABRP C[NH+]1CCC(c2nnc(CCC[NH3+])o2)CC1 ZINC000095828887 173002123 /nfs/dbraw/zinc/00/21/23/173002123.db2.gz VAIMPVMCVHTSOB-UHFFFAOYSA-N 2 0 224.308 0.770 40 0 BCABRP C[NH+]1CCC2(CC1)NN=C1CC[N@H+](C)C[C@@H]12 ZINC000091244425 173002898 /nfs/dbraw/zinc/00/28/98/173002898.db2.gz LMWHQYILCVJMCX-JTQLQIEISA-N 2 0 222.336 0.362 40 0 BCABRP C[N@@H+]1CCC[C@H](N(C(=O)C[NH3+])C2CC2)C1 ZINC000079407034 173044702 /nfs/dbraw/zinc/04/47/02/173044702.db2.gz FOVDHTDXRIUBJD-JTQLQIEISA-N 2 0 211.309 0.030 40 0 BCABRP C[N@@H+]1CCC[C@H](c2nnc(CC[NH3+])o2)C1 ZINC000095828880 173048451 /nfs/dbraw/zinc/04/84/51/173048451.db2.gz YYCRESYKHURAJR-QMMMGPOBSA-N 2 0 210.281 0.380 40 0 BCABRP C[N@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000257344217 173174777 /nfs/dbraw/zinc/17/47/77/173174777.db2.gz ZWEPIAGNGYESPC-SECBINFHSA-N 2 0 221.308 0.191 40 0 BCABRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC[NH+](C)C ZINC000022939173 177238343 /nfs/dbraw/zinc/23/83/43/177238343.db2.gz KXVDQAXQVMYJPY-SRVKXCTJSA-N 2 0 213.369 0.866 40 0 BCABRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC[NH+](C)C ZINC000022027234 177239895 /nfs/dbraw/zinc/23/98/95/177239895.db2.gz KXVDQAXQVMYJPY-SDDRHHMPSA-N 2 0 213.369 0.866 40 0 BCABRP [NH3+][C@@H]1c2ccc3ccccc3c2[C@H]([NH3+])[C@@H](O)[C@H]1O ZINC000575624214 491098164 /nfs/dbraw/zinc/09/81/64/491098164.db2.gz PBNDDWOYJPUOBO-ZOBORPQBSA-N 2 0 244.294 0.575 40 0 BCABRP [NH3+][C@@H]1c2cccc(Cl)c2[C@H]([NH3+])[C@@H](O)[C@H]1O ZINC000575624147 491098168 /nfs/dbraw/zinc/09/81/68/491098168.db2.gz MZQCIYWMIIDYGB-XFWSIPNHSA-N 2 0 228.679 0.075 40 0 BCABRP CCN(C(=O)C[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242522208 519911363 /nfs/dbraw/zinc/91/13/63/519911363.db2.gz IMEIFURLLCULBI-XYPYZODXSA-N 2 0 227.352 0.666 40 0 BCABRP Nc1cc[n+](C/C=C/C[n+]2ccc(N)cc2)cc1 ZINC000006452912 342778322 /nfs/dbraw/zinc/77/83/22/342778322.db2.gz VIXACWFLBMLRBL-OWOJBTEDSA-P 2 0 242.326 0.682 40 0 BCABRP C[NH2+]Cc1ccc(N2CC[NH2+]CC2)nc1C ZINC000072224633 259321702 /nfs/dbraw/zinc/32/17/02/259321702.db2.gz QPIGTXXCJYHMRJ-UHFFFAOYSA-N 2 0 220.320 0.519 40 0 BCABRP CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000095096499 346932600 /nfs/dbraw/zinc/93/26/00/346932600.db2.gz DNIQSYZEBGCNGC-JTQLQIEISA-N 2 0 209.297 0.394 40 0 BCABRP COC(=O)[C@H](C)C[NH2+]CCN1CCCCC1 ZINC000047219165 343559642 /nfs/dbraw/zinc/55/96/42/343559642.db2.gz ONPAOCJDMSHNKS-LLVKDONJSA-N 2 0 228.336 0.871 40 0 BCABRP C1CC1[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000043501180 343780912 /nfs/dbraw/zinc/78/09/12/343780912.db2.gz XGTVARBPHFMWPE-UHFFFAOYSA-N 2 0 209.337 0.518 40 0 BCABRP [NH3+]CCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000308474863 343790148 /nfs/dbraw/zinc/79/01/48/343790148.db2.gz KQXBOXSETKSVHE-SSDOTTSWSA-N 2 0 212.215 0.334 40 0 BCABRP C[C@@H](O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000235284504 343794697 /nfs/dbraw/zinc/79/46/97/343794697.db2.gz HJUIWAAMAQUJHH-SNVBAGLBSA-N 2 0 212.337 0.831 40 0 BCABRP C(C1CC1)[N@@H+]1CCOC[C@@H]2C[NH2+]CC[C@H]21 ZINC000409422212 343812695 /nfs/dbraw/zinc/81/26/95/343812695.db2.gz BXMFUKKNXYSGGE-NWDGAFQWSA-N 2 0 210.321 0.707 40 0 BCABRP COC[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409425693 343820512 /nfs/dbraw/zinc/82/05/12/343820512.db2.gz GNGIHPOXQZXAHM-GHMZBOCLSA-N 2 0 212.337 0.953 40 0 BCABRP [NH3+]CCC[N@@H+]1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409426369 343822607 /nfs/dbraw/zinc/82/26/07/343822607.db2.gz CDUFPKPAHHGJGX-NEPJUHHUSA-N 2 0 212.337 0.820 40 0 BCABRP Cn1ccc([C@H]2CCC[N@H+](CCC[NH3+])C2)n1 ZINC000409430222 343807737 /nfs/dbraw/zinc/80/77/37/343807737.db2.gz QCIXHYQSGDANLA-NSHDSACASA-N 2 0 222.336 0.948 40 0 BCABRP [NH3+]CCN1CCC([NH+]2CCSCC2)CC1 ZINC000409433671 343829838 /nfs/dbraw/zinc/82/98/38/343829838.db2.gz YVTDZDHVCZQCOV-UHFFFAOYSA-N 2 0 229.393 0.458 40 0 BCABRP O[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@H]1CCF ZINC000409435027 343835378 /nfs/dbraw/zinc/83/53/78/343835378.db2.gz SBEGEVHQWRQTOD-PWSUYJOCSA-N 2 0 230.327 0.781 40 0 BCABRP CNc1cc(N2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC000127235364 345166613 /nfs/dbraw/zinc/16/66/13/345166613.db2.gz KWFNSLGCASOWSK-UHFFFAOYSA-N 2 0 233.319 0.805 40 0 BCABRP CNc1cc(N2CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000258895517 345786780 /nfs/dbraw/zinc/78/67/80/345786780.db2.gz FZULZVMBPKJVDF-UHFFFAOYSA-N 2 0 221.308 0.626 40 0 BCABRP C([NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000107746056 188505918 /nfs/dbraw/zinc/50/59/18/188505918.db2.gz AUNMBJUSUHAODD-NNYUYHANSA-N 2 0 210.321 0.611 40 0 BCABRP NC(=[NH2+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000026896756 181185792 /nfs/dbraw/zinc/18/57/92/181185792.db2.gz DRCYENKLDBAOEH-UHFFFAOYSA-N 2 0 233.315 0.949 40 0 BCABRP NC(=[NH2+])NCC[NH+]1CC2CCC(CC2)C1 ZINC000001639137 181189589 /nfs/dbraw/zinc/18/95/89/181189589.db2.gz ULXMXQFKDMBKPO-UHFFFAOYSA-N 2 0 210.325 0.591 40 0 BCABRP [NH3+]CCCCC[C@@H]([NH3+])[C@H]([NH3+])CCCCC[NH3+] ZINC000167725191 368352084 /nfs/dbraw/zinc/35/20/84/368352084.db2.gz IBFISXWMMUEZCG-VXGBXAGGSA-N 4 0 230.400 0.679 40 0 BCABRP CC[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000020073828 371226937 /nfs/dbraw/zinc/22/69/37/371226937.db2.gz JVDZCBVHFVLYCR-GFCCVEGCSA-N 2 0 213.369 0.997 40 0 BCABRP CC(C)(C)OC(=O)N(CC[NH3+])CC[NH3+] ZINC000039978678 166643569 /nfs/dbraw/zinc/64/35/69/166643569.db2.gz VORKTMXRWZVRLA-UHFFFAOYSA-N 2 0 203.286 0.141 40 0 BCABRP C[NH+](C)C[C@H]1CCC[C@@H](C[NH+](C)C)C1O ZINC000001670757 383921594 /nfs/dbraw/zinc/92/15/94/383921594.db2.gz NWOOXUIGWYJUKB-FOSCPWQOSA-N 2 0 214.353 0.887 40 0 BCABRP C[NH+](C)C[C@H]1CC(=O)[C@H](C[NH+](C)C)CC1=O ZINC000001717766 383928661 /nfs/dbraw/zinc/92/86/61/383928661.db2.gz QINBNIQHVSHFQT-AOOOYVTPSA-N 2 0 226.320 0.274 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407124 384134754 /nfs/dbraw/zinc/13/47/54/384134754.db2.gz WBVLEMOBQLWAOK-LPEHRKFASA-N 2 0 213.325 0.323 40 0 BCABRP CC(C)N(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[NH3+] ZINC000079406976 384134765 /nfs/dbraw/zinc/13/47/65/384134765.db2.gz SHNDZFIRTRDJJM-LLVKDONJSA-N 2 0 227.352 0.524 40 0 BCABRP CCN(C(=O)C[NH3+])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406917 384135160 /nfs/dbraw/zinc/13/51/60/384135160.db2.gz QXGGMYDCPOVOOW-QWRGUYRKSA-N 2 0 227.352 0.666 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407489 384135400 /nfs/dbraw/zinc/13/54/00/384135400.db2.gz LHBMQESMKHTOFZ-TUAOUCFPSA-N 2 0 241.379 0.959 40 0 BCABRP CCN(C[C@H]1CCCC[N@@H+]1C)C(=O)C[NH3+] ZINC000079406897 384136330 /nfs/dbraw/zinc/13/63/30/384136330.db2.gz YCZVNHOWVMQCME-SNVBAGLBSA-N 2 0 213.325 0.278 40 0 BCABRP CC(C)N(C[C@@H]1CCCC[N@@H+]1C)C(=O)C[NH3+] ZINC000079406965 384136405 /nfs/dbraw/zinc/13/64/05/384136405.db2.gz FTAVDGTUWKRVMD-NSHDSACASA-N 2 0 227.352 0.666 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407472 384136642 /nfs/dbraw/zinc/13/66/42/384136642.db2.gz LHBMQESMKHTOFZ-SRVKXCTJSA-N 2 0 241.379 0.959 40 0 BCABRP CCN(C[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407234 384136724 /nfs/dbraw/zinc/13/67/24/384136724.db2.gz XQPZRJNDHJNIOA-WDEREUQCSA-N 2 0 227.352 0.666 40 0 BCABRP CC[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000079405980 384136815 /nfs/dbraw/zinc/13/68/15/384136815.db2.gz BDPHLOXTNNPKHT-UHFFFAOYSA-N 2 0 200.326 0.642 40 0 BCABRP C[NH+]1CCC(CN(C(=O)C[NH3+])C2CC2)CC1 ZINC000079407069 384136914 /nfs/dbraw/zinc/13/69/14/384136914.db2.gz CJFGMEGIWUUJKF-UHFFFAOYSA-N 2 0 225.336 0.278 40 0 BCABRP CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407206 384137172 /nfs/dbraw/zinc/13/71/72/384137172.db2.gz OYKGTFMXHDQVLW-VHSXEESVSA-N 2 0 213.325 0.134 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@@H+]1C ZINC000079407135 384137217 /nfs/dbraw/zinc/13/72/17/384137217.db2.gz ZJHJSZLYWTUYJI-UWVGGRQHSA-N 2 0 213.325 0.276 40 0 BCABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)C1CC[NH+](C)CC1 ZINC000079407605 384137552 /nfs/dbraw/zinc/13/75/52/384137552.db2.gz KDDAQPFBMLGXGV-LBPRGKRZSA-N 2 0 241.379 0.912 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000079419560 384141764 /nfs/dbraw/zinc/14/17/64/384141764.db2.gz FHTGPUYNVHQKRN-NEPJUHHUSA-N 2 0 241.379 0.770 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419623 384145529 /nfs/dbraw/zinc/14/55/29/384145529.db2.gz PPDCLTWNXQQLBR-NEPJUHHUSA-N 2 0 239.363 0.665 40 0 BCABRP COC[C@@H]1C[NH2+]CCN(Cc2cccnc2)C1 ZINC000072354444 384211516 /nfs/dbraw/zinc/21/15/16/384211516.db2.gz YIIWYKYCMFFQFL-CYBMUJFWSA-N 2 0 235.331 0.749 40 0 BCABRP C[C@@H]1NCCn2c(CN3CC[NH+](C)CC3)cnc21 ZINC000107491956 384391460 /nfs/dbraw/zinc/39/14/60/384391460.db2.gz LQOVAJRHXRWKIQ-NSHDSACASA-N 2 0 249.362 0.295 40 0 BCABRP CCS(=O)(=O)[C@@]1(C[NH3+])C[C@H](C[NH3+])C[C@@H]1C ZINC000096532546 385285418 /nfs/dbraw/zinc/28/54/18/385285418.db2.gz BPSSMVVYPCRBDD-IVZWLZJFSA-N 2 0 234.365 0.123 40 0 BCABRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000087121974 135106918 /nfs/dbraw/zinc/10/69/18/135106918.db2.gz MHVQBDFSJRWPGK-NXEZZACHSA-N 2 0 213.325 0.052 40 0 BCABRP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccn2)C1 ZINC000242547660 388399479 /nfs/dbraw/zinc/39/94/79/388399479.db2.gz KQJHUDOKQYCDRG-CMPLNLGQSA-N 2 0 205.305 0.903 40 0 BCABRP CCS(=O)(=O)[C@]1(C[NH3+])C[C@@H](C[NH3+])C[C@H]1C ZINC000242425585 388720639 /nfs/dbraw/zinc/72/06/39/388720639.db2.gz BPSSMVVYPCRBDD-UTLUCORTSA-N 2 0 234.365 0.123 40 0 BCABRP COc1c(N)cc(C[NH3+])cc1C[NH+](C)C ZINC000225723549 388842556 /nfs/dbraw/zinc/84/25/56/388842556.db2.gz NVMDJOJKTBEPHJ-UHFFFAOYSA-N 2 0 209.293 0.798 40 0 BCABRP CC(C)([C@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210345 322905955 /nfs/dbraw/zinc/90/59/55/322905955.db2.gz RHTCFBCBXOIKFX-SNVBAGLBSA-N 2 0 200.326 0.818 40 0 BCABRP C[NH+]1CCC(N2CC[NH2+][C@@H]3CCC[C@H]32)CC1 ZINC000218846989 411177765 /nfs/dbraw/zinc/17/77/65/411177765.db2.gz XANNMPQJDUHBRQ-CHWSQXEVSA-N 2 0 223.364 0.907 40 0 BCABRP CC[C@H](C)[C@@H]([NH3+])CN1CCC[N@H+](C)CC1 ZINC000020217793 171372609 /nfs/dbraw/zinc/37/26/09/171372609.db2.gz OIOOWQXSOJKXCN-RYUDHWBXSA-N 2 0 213.369 0.997 40 0 BCABRP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000332171470 172327332 /nfs/dbraw/zinc/32/73/32/172327332.db2.gz UEQHIJFAZRMQQS-GHMZBOCLSA-N 2 0 225.336 0.182 40 0 BCABRP C[NH+]1CCC(c2nnc3n2CC[N@@H+](C)C3)CC1 ZINC000072352914 173001352 /nfs/dbraw/zinc/00/13/52/173001352.db2.gz HXLQVQOCFWGRDR-UHFFFAOYSA-N 2 0 235.335 0.533 40 0 BCABRP C[N@@H+]1CCC[C@@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407020 173031195 /nfs/dbraw/zinc/03/11/95/173031195.db2.gz QYHYXKDOOAEMBY-SNVBAGLBSA-N 2 0 211.309 0.030 40 0 BCABRP C[N@@H+]1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019695429 173047567 /nfs/dbraw/zinc/04/75/67/173047567.db2.gz SBNUDJXEPRZOJL-JTQLQIEISA-N 2 0 235.335 0.233 40 0 BCABRP C[N@@H+]1CCC[C@H](c2nc(CCC[NH3+])no2)C1 ZINC000218377206 173047802 /nfs/dbraw/zinc/04/78/02/173047802.db2.gz DHMRNUPJXOEFDA-VIFPVBQESA-N 2 0 224.308 0.770 40 0 BCABRP COCC[N@H+](CCCC[NH3+])C1CCN(C)CC1 ZINC000096523767 174291130 /nfs/dbraw/zinc/29/11/30/174291130.db2.gz YEYJIEAPMBCLRO-UHFFFAOYSA-N 2 0 243.395 0.768 40 0 BCABRP C[C@@H]1C[N@H+](CCC[NH3+])[C@@H](C)CN1CCC[NH3+] ZINC000023477999 177250257 /nfs/dbraw/zinc/25/02/57/177250257.db2.gz CDJBQQIDYCQYHJ-TXEJJXNPSA-N 3 0 228.384 0.079 40 0 BCABRP C[NH+](C)[C@H]1CC[C@H](N(C(=O)C[NH3+])C2CC2)CC1 ZINC000248026140 522104870 /nfs/dbraw/zinc/10/48/70/522104870.db2.gz SGMTZQZAGCMSLI-XYPYZODXSA-N 2 0 239.363 0.809 40 0 BCABRP C[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCO)CC1 ZINC000247981804 522105840 /nfs/dbraw/zinc/10/58/40/522105840.db2.gz JRXKYDDXBODBBC-XYPYZODXSA-N 2 0 200.326 0.783 40 0 BCABRP C[N@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242648733 522408714 /nfs/dbraw/zinc/40/87/14/522408714.db2.gz RFDMCJNIQPTNLM-XYPYZODXSA-N 2 0 212.337 0.974 40 0 BCABRP CC[NH+](CC)[C@H](C(C)C)[C@@H](C[NH3+])CO ZINC000072210606 259317427 /nfs/dbraw/zinc/31/74/27/259317427.db2.gz YWNMXCHZESQTCM-WDEREUQCSA-N 2 0 202.342 0.920 40 0 BCABRP COC(=O)[C@@H](C)C[NH2+]CCC[NH+](C)C ZINC000035133545 343286044 /nfs/dbraw/zinc/28/60/44/343286044.db2.gz UHZBRCRZQLOYJA-VIFPVBQESA-N 2 0 202.298 0.337 40 0 BCABRP COC(=O)C[C@H](C)[NH2+]CCC[NH+](C)C ZINC000035748431 343303578 /nfs/dbraw/zinc/30/35/78/343303578.db2.gz VVGXXOWZXNYRRA-VIFPVBQESA-N 2 0 202.298 0.479 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484890 343310176 /nfs/dbraw/zinc/31/01/76/343310176.db2.gz YQYUNIJMUFIMHF-ZJUUUORDSA-N 2 0 213.325 0.038 40 0 BCABRP C(C1CC1)[N@@H+]1CCOC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000409422214 343812732 /nfs/dbraw/zinc/81/27/32/343812732.db2.gz BXMFUKKNXYSGGE-RYUDHWBXSA-N 2 0 210.321 0.707 40 0 BCABRP [NH3+]Cc1cn(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000409424909 343817799 /nfs/dbraw/zinc/81/77/99/343817799.db2.gz IOHKZFYKTFPAIP-NSHDSACASA-N 2 0 217.276 0.437 40 0 BCABRP C[C@H](O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409425151 343818303 /nfs/dbraw/zinc/81/83/03/343818303.db2.gz FFFIXTAJALOUFL-WDEREUQCSA-N 2 0 212.337 0.831 40 0 BCABRP CC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409432024 343824952 /nfs/dbraw/zinc/82/49/52/343824952.db2.gz KNHRFPBYHWYMHA-CMPLNLGQSA-N 2 0 212.337 0.831 40 0 BCABRP [NH3+]CCC[N@@H+]1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409430723 343808669 /nfs/dbraw/zinc/80/86/69/343808669.db2.gz IXKWAJDLYCPCAJ-NEPJUHHUSA-N 2 0 228.336 0.341 40 0 BCABRP [NH3+]CC(=O)N[C@H]1CCC[C@@H]1[NH+]1CCCC1 ZINC000409441190 343855546 /nfs/dbraw/zinc/85/55/46/343855546.db2.gz NSQGPBFSHAZUEP-UWVGGRQHSA-N 2 0 211.309 0.078 40 0 BCABRP OC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC12CCC2 ZINC000409436367 343838800 /nfs/dbraw/zinc/83/88/00/343838800.db2.gz ZNUGAHIUKRSKPW-LLVKDONJSA-N 2 0 224.348 0.833 40 0 BCABRP [NH3+]CCn1nc([C@@H]2CCC[NH2+]C2)c2c1CCC2 ZINC000409437263 343842810 /nfs/dbraw/zinc/84/28/10/343842810.db2.gz FJKKHDIPRJIBQU-SNVBAGLBSA-N 2 0 234.347 0.798 40 0 BCABRP Cc1nc(N2CCC[N@@H+](C)CC2)cc(N)[nH+]1 ZINC000087806490 345942379 /nfs/dbraw/zinc/94/23/79/345942379.db2.gz AGEBBCIDQJEVEV-UHFFFAOYSA-N 2 0 221.308 0.509 40 0 BCABRP CC(C)C[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000019470072 188171893 /nfs/dbraw/zinc/17/18/93/188171893.db2.gz DASSCNBCNOVUIY-SECBINFHSA-N 2 0 201.314 0.038 40 0 BCABRP CC(C)[N@H+](C)Cc1n[nH]c2c1CC[NH2+]C2 ZINC000306140171 188218473 /nfs/dbraw/zinc/21/84/73/188218473.db2.gz UMFDWGITEFWCEX-UHFFFAOYSA-N 2 0 208.309 0.896 40 0 BCABRP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000237121549 363465330 /nfs/dbraw/zinc/46/53/30/363465330.db2.gz TYHWLXKIAYOOHF-RYUDHWBXSA-N 2 0 239.363 0.526 40 0 BCABRP [NH3+]CC(=O)N1CC[NH+](C2CCCCCC2)CC1 ZINC000049829901 181349977 /nfs/dbraw/zinc/34/99/77/181349977.db2.gz VEDXECQSMGHLBT-UHFFFAOYSA-N 2 0 239.363 0.812 40 0 BCABRP [NH3+]CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404047 181354178 /nfs/dbraw/zinc/35/41/78/181354178.db2.gz UFPNGJVADXICDU-CYBMUJFWSA-N 2 0 247.342 0.726 40 0 BCABRP C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccn2)C1 ZINC000074188490 369869117 /nfs/dbraw/zinc/86/91/17/369869117.db2.gz KQJHUDOKQYCDRG-PWSUYJOCSA-N 2 0 205.305 0.903 40 0 BCABRP CCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019412898 169201246 /nfs/dbraw/zinc/20/12/46/169201246.db2.gz PCWWYQWRAWULDM-LBPRGKRZSA-N 2 0 239.363 0.540 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053245645 383846008 /nfs/dbraw/zinc/84/60/08/383846008.db2.gz QFDYLPOYYUJDDZ-MNOVXSKESA-N 2 0 227.352 0.522 40 0 BCABRP CC(C)N(C[C@@H]1CCC[N@@H+]1C)C(=O)C[NH3+] ZINC000079406937 384135609 /nfs/dbraw/zinc/13/56/09/384135609.db2.gz SIGDXOSYLQFYOU-JTQLQIEISA-N 2 0 213.325 0.276 40 0 BCABRP CCN(C(=O)[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000079407226 384135820 /nfs/dbraw/zinc/13/58/20/384135820.db2.gz OXENOCZQKQQVRQ-VIFPVBQESA-N 2 0 213.325 0.276 40 0 BCABRP C[NH+]1CCC(N(C(=O)C[NH3+])C2CC2)CC1 ZINC000079407043 384136739 /nfs/dbraw/zinc/13/67/39/384136739.db2.gz FNWCDTTYIDAXQX-UHFFFAOYSA-N 2 0 211.309 0.030 40 0 BCABRP C[NH+](C)[C@H]1CCCC[C@@H]1N(C(=O)C[NH3+])C1CC1 ZINC000079407080 384136855 /nfs/dbraw/zinc/13/68/55/384136855.db2.gz VPPVCXMYHRHOGJ-RYUDHWBXSA-N 2 0 239.363 0.809 40 0 BCABRP CC(C)N(CC1CC[NH+](C)CC1)C(=O)C[NH3+] ZINC000079406985 384137109 /nfs/dbraw/zinc/13/71/09/384137109.db2.gz DRRDLDLBSAILIN-UHFFFAOYSA-N 2 0 227.352 0.524 40 0 BCABRP CCN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407566 384137493 /nfs/dbraw/zinc/13/74/93/384137493.db2.gz MJBKSWLKZOCHTK-RYUDHWBXSA-N 2 0 241.379 0.912 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000079407522 384137667 /nfs/dbraw/zinc/13/76/67/384137667.db2.gz GIGLMGBJAUIDLG-RYUDHWBXSA-N 2 0 241.379 0.770 40 0 BCABRP C[N@H+](C[C@H]1CCCCN1C(=O)C[NH3+])C1CC1 ZINC000079424923 384146588 /nfs/dbraw/zinc/14/65/88/384146588.db2.gz BZYHZYCWHAIBFT-LLVKDONJSA-N 2 0 225.336 0.420 40 0 BCABRP CCOC(=O)[C@H](C[NH3+])C(C)(C)[NH+](C)C ZINC000072210405 384153477 /nfs/dbraw/zinc/15/34/77/384153477.db2.gz BRKZOWNHUFOYFC-QMMMGPOBSA-N 2 0 202.298 0.465 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C2CC2)CC1 ZINC000079419521 384142057 /nfs/dbraw/zinc/14/20/57/384142057.db2.gz JZWUIFIXUMQEEP-JTQLQIEISA-N 2 0 239.363 0.666 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079419306 384143143 /nfs/dbraw/zinc/14/31/43/384143143.db2.gz WHECSIFRZNGWTR-JTQLQIEISA-N 2 0 213.325 0.134 40 0 BCABRP CC(C)[N@H+](C)CC1CCN(CC[NH3+])CC1 ZINC000079419027 384144116 /nfs/dbraw/zinc/14/41/16/384144116.db2.gz COQRSQXIPOVMEM-UHFFFAOYSA-N 2 0 213.369 0.997 40 0 BCABRP C[C@H]([NH3+])C(=O)NC1CCC([N@H+](C)C2CC2)CC1 ZINC000079419524 384144944 /nfs/dbraw/zinc/14/49/44/384144944.db2.gz ZEKNMOYSTCUUIH-WHXUTIOJSA-N 2 0 239.363 0.855 40 0 BCABRP C[NH+](C)[C@H]1CC[C@H](N(C(=O)C[NH3+])C2CC2)CC1 ZINC000100178293 384283270 /nfs/dbraw/zinc/28/32/70/384283270.db2.gz SGMTZQZAGCMSLI-PHIMTYICSA-N 2 0 239.363 0.809 40 0 BCABRP C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082303070 384663926 /nfs/dbraw/zinc/66/39/26/384663926.db2.gz BDMYDZPNBXSDCW-JTQLQIEISA-N 2 0 213.325 0.006 40 0 BCABRP C[NH+](C)[C@@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210322 385068268 /nfs/dbraw/zinc/06/82/68/385068268.db2.gz DRTRPLQLKVCVGO-NEPJUHHUSA-N 2 0 208.305 0.857 40 0 BCABRP C[NH+](C)[C@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210321 385068678 /nfs/dbraw/zinc/06/86/78/385068678.db2.gz DRTRPLQLKVCVGO-NWDGAFQWSA-N 2 0 208.305 0.857 40 0 BCABRP Cc1nc(N2CC[NH2+]CC2)ccc1[C@@H](C)[NH3+] ZINC000072224626 385119361 /nfs/dbraw/zinc/11/93/61/385119361.db2.gz WTMNGKARIAIETK-SECBINFHSA-N 2 0 220.320 0.819 40 0 BCABRP C[NH+](C)CCOCc1ncn2c1C[NH2+]CCC2 ZINC000306145138 385992741 /nfs/dbraw/zinc/99/27/41/385992741.db2.gz ZZGAKKWKSNLKKD-UHFFFAOYSA-N 2 0 238.335 0.455 40 0 BCABRP C[NH+](C)CCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218830285 386052906 /nfs/dbraw/zinc/05/29/06/386052906.db2.gz IHZPMEFRGBJJMK-NWDGAFQWSA-N 2 0 211.353 0.764 40 0 BCABRP CCNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042834 170091689 /nfs/dbraw/zinc/09/16/89/170091689.db2.gz OPXZEYRARUSRTO-NSHDSACASA-N 2 0 225.336 0.339 40 0 BCABRP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000332171472 172328014 /nfs/dbraw/zinc/32/80/14/172328014.db2.gz UEQHIJFAZRMQQS-MNOVXSKESA-N 2 0 225.336 0.182 40 0 BCABRP C[NH+]1CCC(n2cccc(C[NH3+])c2=O)CC1 ZINC000076731041 173001879 /nfs/dbraw/zinc/00/18/79/173001879.db2.gz FUPWDJJKFRAWDZ-UHFFFAOYSA-N 2 0 221.304 0.574 40 0 BCABRP C[N@@H+]1CCCC[C@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407054 173007020 /nfs/dbraw/zinc/00/70/20/173007020.db2.gz UKPGQPMLRMFOQH-NSHDSACASA-N 2 0 225.336 0.420 40 0 BCABRP C[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019431100 173088115 /nfs/dbraw/zinc/08/81/15/173088115.db2.gz ALCQHFFVVLFOOA-UHFFFAOYSA-N 2 0 232.331 0.718 40 0 BCABRP C[N@H+]1CCc2nnc(C3CC[NH2+]CC3)n2CC1 ZINC000072343600 173173223 /nfs/dbraw/zinc/17/32/23/173173223.db2.gz UPVWYKRBHWIMEY-UHFFFAOYSA-N 2 0 235.335 0.233 40 0 BCABRP C[N@H+]1[C@@H]2CC[C@H]1CC(n1cc(C[NH3+])nn1)C2 ZINC000095096504 173206478 /nfs/dbraw/zinc/20/64/78/173206478.db2.gz YVUBVZVZPUXDJT-ZACCUICWSA-N 2 0 221.308 0.535 40 0 BCABRP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115227 490396326 /nfs/dbraw/zinc/39/63/26/490396326.db2.gz WQSMZLVPECFIOL-LBPRGKRZSA-N 2 0 239.363 0.396 40 0 BCABRP CC[NH+](CC)[C@H](C(C)C)[C@H](C[NH3+])CO ZINC000072210608 259317140 /nfs/dbraw/zinc/31/71/40/259317140.db2.gz YWNMXCHZESQTCM-GHMZBOCLSA-N 2 0 202.342 0.920 40 0 BCABRP CC[NH+](CC)[C@@H](C(C)C)[C@H](C[NH3+])CO ZINC000072210607 259317458 /nfs/dbraw/zinc/31/74/58/259317458.db2.gz YWNMXCHZESQTCM-MNOVXSKESA-N 2 0 202.342 0.920 40 0 BCABRP C[C@@]12CC[C@@H](O1)[C@H]1C[N@H+](CCC(=[NH2+])NO)C[C@@H]12 ZINC000006491298 342778555 /nfs/dbraw/zinc/77/85/55/342778555.db2.gz ADYSGPLVXJAYRZ-GUDRVLHUSA-N 2 0 239.319 0.832 40 0 BCABRP CC[NH+]1CCN(c2ncc(C[NH3+])cc2C)CC1 ZINC000072222581 259320872 /nfs/dbraw/zinc/32/08/72/259320872.db2.gz GKJXXSOKXATSNG-UHFFFAOYSA-N 2 0 234.347 0.991 40 0 BCABRP COC(=O)C[C@H](C)[NH2+]CCN1CCCC1 ZINC000047219162 343559745 /nfs/dbraw/zinc/55/97/45/343559745.db2.gz NBHLIWJPVRUEJC-JTQLQIEISA-N 2 0 214.309 0.623 40 0 BCABRP CN(C(=O)[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019408426 343773840 /nfs/dbraw/zinc/77/38/40/343773840.db2.gz XPJIZEUYWMHBTF-NSHDSACASA-N 2 0 239.363 0.539 40 0 BCABRP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000019687865 343774014 /nfs/dbraw/zinc/77/40/14/343774014.db2.gz XKKRDNRDNFQFOS-GFCCVEGCSA-N 2 0 239.363 0.539 40 0 BCABRP OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000040452392 343783979 /nfs/dbraw/zinc/78/39/79/343783979.db2.gz AASBNVINWUUUPH-UHFFFAOYSA-N 2 0 207.277 0.196 40 0 BCABRP CNc1cc(C)nc(N2CC[NH2+]CC2)n1 ZINC000106888596 343785862 /nfs/dbraw/zinc/78/58/62/343785862.db2.gz OFYMZCKAYBRNND-UHFFFAOYSA-N 2 0 207.281 0.236 40 0 BCABRP C[C@H](O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000235542130 343795457 /nfs/dbraw/zinc/79/54/57/343795457.db2.gz HJUIWAAMAQUJHH-JTQLQIEISA-N 2 0 212.337 0.831 40 0 BCABRP C[NH+]1CCN(c2cncc(C[NH3+])c2)CC1 ZINC000238316666 343796155 /nfs/dbraw/zinc/79/61/55/343796155.db2.gz TUSIYOYXAFOTHQ-UHFFFAOYSA-N 2 0 206.293 0.292 40 0 BCABRP COC[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1C ZINC000409425696 343820524 /nfs/dbraw/zinc/82/05/24/343820524.db2.gz GNGIHPOXQZXAHM-WDEREUQCSA-N 2 0 212.337 0.953 40 0 BCABRP [NH3+]CCC[N@@H+]1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409426371 343822617 /nfs/dbraw/zinc/82/26/17/343822617.db2.gz CDUFPKPAHHGJGX-RYUDHWBXSA-N 2 0 212.337 0.820 40 0 BCABRP O[C@@H]1CCO[C@@]2(CC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC000409432020 343825308 /nfs/dbraw/zinc/82/53/08/343825308.db2.gz KNFZAUSMOIKRHA-OLZOCXBDSA-N 2 0 240.347 0.354 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@@H](O)[C@@H](CC2CC2)C1 ZINC000409429426 343805683 /nfs/dbraw/zinc/80/56/83/343805683.db2.gz HKUSBGAKDTYWRT-NWDGAFQWSA-N 2 0 212.337 0.818 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@H](O)[C@H](CC2CC2)C1 ZINC000409429405 343805711 /nfs/dbraw/zinc/80/57/11/343805711.db2.gz HKUSBGAKDTYWRT-NEPJUHHUSA-N 2 0 212.337 0.818 40 0 BCABRP [NH3+]CCC[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000409429665 343806132 /nfs/dbraw/zinc/80/61/32/343806132.db2.gz PCPHYRSXUVYRFY-LLVKDONJSA-N 2 0 228.336 0.341 40 0 BCABRP [NH3+]CCC[N@@H+]1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409430730 343809013 /nfs/dbraw/zinc/80/90/13/343809013.db2.gz IXKWAJDLYCPCAJ-VXGBXAGGSA-N 2 0 228.336 0.341 40 0 BCABRP CCC[C@@H]1C[N@H+](CCC[NH3+])CC[C@H]1O ZINC000409435088 343836265 /nfs/dbraw/zinc/83/62/65/343836265.db2.gz SHABCNHOKJBKPS-GHMZBOCLSA-N 2 0 200.326 0.818 40 0 BCABRP C1CC[NH+]([C@H]2CCC[C@H]2N2CC[NH2+]CC2)C1 ZINC000409437755 343848863 /nfs/dbraw/zinc/84/88/63/343848863.db2.gz BDGSMQPSOLBFBT-QWHCGFSZSA-N 2 0 223.364 0.909 40 0 BCABRP C1C[C@H](N2CC[NH2+]CC2)[C@@H]([NH+]2CCCC2)C1 ZINC000409437758 343848954 /nfs/dbraw/zinc/84/89/54/343848954.db2.gz BDGSMQPSOLBFBT-STQMWFEESA-N 2 0 223.364 0.909 40 0 BCABRP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257661905 345781107 /nfs/dbraw/zinc/78/11/07/345781107.db2.gz DKWXAKVNYYPTQG-WDEREUQCSA-N 2 0 225.336 0.278 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000079419553 187427739 /nfs/dbraw/zinc/42/77/39/187427739.db2.gz VMSUZKNSTJAMPL-NEPJUHHUSA-N 2 0 241.379 0.912 40 0 BCABRP CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1C[C@@H]([NH3+])C1 ZINC000602985745 351866013 /nfs/dbraw/zinc/86/60/13/351866013.db2.gz OGHGAJBVNRZRIL-RNJXMRFFSA-N 2 0 200.282 0.393 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192188 188112738 /nfs/dbraw/zinc/11/27/38/188112738.db2.gz CKKRDIPBZBTMMX-NSHDSACASA-N 2 0 227.352 0.522 40 0 BCABRP [NH3+]CCCCC1(CCCC[NH3+])OCCO1 ZINC000001555734 181373908 /nfs/dbraw/zinc/37/39/08/181373908.db2.gz LHKGTEJKZQBSPP-UHFFFAOYSA-N 2 0 216.325 0.988 40 0 BCABRP [NH3+]CCNC[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000081956886 368625222 /nfs/dbraw/zinc/62/52/22/368625222.db2.gz NDTXYMAGPAKHBA-JTQLQIEISA-N 2 0 238.291 0.013 40 0 BCABRP CO[C@]1(C(F)(F)F)CCN(CCC[NH3+])C1 ZINC000409434804 383839836 /nfs/dbraw/zinc/83/98/36/383839836.db2.gz QQXSPSAKJAKJGJ-MRVPVSSYSA-N 2 0 226.242 0.988 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000053245646 383846083 /nfs/dbraw/zinc/84/60/83/383846083.db2.gz QFDYLPOYYUJDDZ-QWRGUYRKSA-N 2 0 227.352 0.522 40 0 BCABRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037826024 383893413 /nfs/dbraw/zinc/89/34/13/383893413.db2.gz WNMUBDYMJYDTSO-NSHDSACASA-N 2 0 241.379 0.912 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000079407143 384134792 /nfs/dbraw/zinc/13/47/92/384134792.db2.gz KCGIYIVTOJXTEM-VHSXEESVSA-N 2 0 213.325 0.134 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000079407661 384135074 /nfs/dbraw/zinc/13/50/74/384135074.db2.gz RIGURTVBDABWNJ-RYUDHWBXSA-N 2 0 241.379 0.911 40 0 BCABRP CN(C(=O)C[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406847 384135179 /nfs/dbraw/zinc/13/51/79/384135179.db2.gz SINGDZPSPZDUAI-VHSXEESVSA-N 2 0 213.325 0.276 40 0 BCABRP CCN(C[C@@H]1CCCC[N@@H+]1C)C(=O)C[NH3+] ZINC000079406895 384135499 /nfs/dbraw/zinc/13/54/99/384135499.db2.gz YCZVNHOWVMQCME-JTQLQIEISA-N 2 0 213.325 0.278 40 0 BCABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000079407303 384135859 /nfs/dbraw/zinc/13/58/59/384135859.db2.gz ADKSXRAGEQOHEM-QWRGUYRKSA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)N(CC1CC[NH+](C)CC1)C(=O)[C@H](C)[NH3+] ZINC000079407340 384135957 /nfs/dbraw/zinc/13/59/57/384135957.db2.gz KSRZGVHUXUGBTB-NSHDSACASA-N 2 0 241.379 0.912 40 0 BCABRP C[N@@H+]1CCC[C@@H](CN(C(=O)C[NH3+])C2CC2)C1 ZINC000079407063 384136045 /nfs/dbraw/zinc/13/60/45/384136045.db2.gz HZXURALNIVEIAZ-SNVBAGLBSA-N 2 0 225.336 0.278 40 0 BCABRP CC(C)N(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407280 384136057 /nfs/dbraw/zinc/13/60/57/384136057.db2.gz AILVBEINJVIWCI-QWRGUYRKSA-N 2 0 227.352 0.665 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000079407368 384137019 /nfs/dbraw/zinc/13/70/19/384137019.db2.gz SXNOEKHZFPPOTM-WPRPVWTQSA-N 2 0 211.309 0.029 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407119 384137777 /nfs/dbraw/zinc/13/77/77/384137777.db2.gz WBVLEMOBQLWAOK-IVZWLZJFSA-N 2 0 213.325 0.323 40 0 BCABRP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419414 384142742 /nfs/dbraw/zinc/14/27/42/384142742.db2.gz IFBTYPAODSZQII-UWVGGRQHSA-N 2 0 213.325 0.275 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419470 384143177 /nfs/dbraw/zinc/14/31/77/384143177.db2.gz NAEFKELBJLUQPP-WPRPVWTQSA-N 2 0 211.309 0.029 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419450 384143271 /nfs/dbraw/zinc/14/32/71/384143271.db2.gz SXHDLPXFPJVZFD-RYUDHWBXSA-N 2 0 241.379 0.912 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419530 384144451 /nfs/dbraw/zinc/14/44/51/384144451.db2.gz ODYVHPRLYYAJPJ-DLOVCJGASA-N 2 0 239.363 0.855 40 0 BCABRP CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079419342 384144738 /nfs/dbraw/zinc/14/47/38/384144738.db2.gz OWHBLDUFFFRUGE-WDEREUQCSA-N 2 0 227.352 0.713 40 0 BCABRP C[N@H+](C[C@H]1CCCN(CC[NH3+])C1)C1CC1 ZINC000079419076 384145242 /nfs/dbraw/zinc/14/52/42/384145242.db2.gz RUIVITAIUKRVQM-LLVKDONJSA-N 2 0 211.353 0.751 40 0 BCABRP CC(=O)OCC[Si](N(C)C)([NH+](C)C)[NH+](C)C ZINC000199958620 384443726 /nfs/dbraw/zinc/44/37/26/384443726.db2.gz DHKLXOYLHLFFPJ-UHFFFAOYSA-N 2 0 247.415 0.173 40 0 BCABRP C[C@H]([NH3+])c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225512 385110483 /nfs/dbraw/zinc/11/04/83/385110483.db2.gz AZXFGIPRBMDMME-VIFPVBQESA-N 2 0 206.293 0.511 40 0 BCABRP Cc1nc(N2CC[NH+](C(C)C)CC2)cc(N)[nH+]1 ZINC000129727171 385179859 /nfs/dbraw/zinc/17/98/59/385179859.db2.gz XHXKJVCJXVYMKN-UHFFFAOYSA-N 2 0 235.335 0.898 40 0 BCABRP CSCC[C@@H]([NH3+])CN1CC[NH+](C)CC1 ZINC000096523851 385266226 /nfs/dbraw/zinc/26/62/26/385266226.db2.gz GHZQVYQQWCVQPL-SNVBAGLBSA-N 2 0 217.382 0.314 40 0 BCABRP O[C@H](C[NH2+]C1CC1)C[NH+]1CCCCCC1 ZINC000036950371 385592520 /nfs/dbraw/zinc/59/25/20/385592520.db2.gz FHIFALDYXOHGMX-GFCCVEGCSA-N 2 0 212.337 0.975 40 0 BCABRP [NH3+]C[C@H](c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000041242604 385732640 /nfs/dbraw/zinc/73/26/40/385732640.db2.gz SQEAQAJNJMSZKT-GFCCVEGCSA-N 2 0 223.295 0.731 40 0 BCABRP C[NH+](C)[C@@H]1CCN(c2cc[nH+]cc2N)C1 ZINC000062965557 385734923 /nfs/dbraw/zinc/73/49/23/385734923.db2.gz PVSPSMOIRSMDFT-SECBINFHSA-N 2 0 206.293 0.804 40 0 BCABRP C[C@@]([NH3+])(C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858224 385899448 /nfs/dbraw/zinc/89/94/48/385899448.db2.gz KWHTYQAVFBSINF-OCCSQVGLSA-N 2 0 247.342 0.714 40 0 BCABRP C[C@]([NH3+])(C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858225 385899456 /nfs/dbraw/zinc/89/94/56/385899456.db2.gz KWHTYQAVFBSINF-TZMCWYRMSA-N 2 0 247.342 0.714 40 0 BCABRP C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H]([NH3+])C2 ZINC000096260650 387025884 /nfs/dbraw/zinc/02/58/84/387025884.db2.gz XFPAZBPCPKOBPK-LLVKDONJSA-N 2 0 235.331 0.226 40 0 BCABRP C[C@H]1CCC[N@H+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020669 388611017 /nfs/dbraw/zinc/61/10/17/388611017.db2.gz ZZJQCKLQXIFZES-JQWIXIFHSA-N 2 0 212.337 0.831 40 0 BCABRP CCCC[N@H+](C)C[C@H](O)CN1CCC[NH2+]CC1 ZINC000064875802 388672350 /nfs/dbraw/zinc/67/23/50/388672350.db2.gz ZWCNNIQFWKTYRY-ZDUSSCGKSA-N 2 0 243.395 0.375 40 0 BCABRP Nc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000062718367 388655631 /nfs/dbraw/zinc/65/56/31/388655631.db2.gz ZFBLPGBSHPIXBQ-UHFFFAOYSA-N 2 0 221.308 0.148 40 0 BCABRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000242473205 388763153 /nfs/dbraw/zinc/76/31/53/388763153.db2.gz FBQHJGVAFGAVDZ-GFCCVEGCSA-N 2 0 241.379 0.929 40 0 BCABRP [NH3+][C@@H]1CN(Cc2ccccc2)CC12COC2 ZINC000095913229 388788680 /nfs/dbraw/zinc/78/86/80/388788680.db2.gz LLMKHEIMRUSUMD-GFCCVEGCSA-N 2 0 218.300 0.846 40 0 BCABRP C[NH+]1CCC(N2CC[NH2+][C@@H]3CCC[C@@H]32)CC1 ZINC000225717353 388841603 /nfs/dbraw/zinc/84/16/03/388841603.db2.gz XANNMPQJDUHBRQ-OLZOCXBDSA-N 2 0 223.364 0.907 40 0 BCABRP CN(C)[Si](c1ccccc1)([NH+](C)C)[NH+](C)C ZINC000195764717 172542501 /nfs/dbraw/zinc/54/25/01/172542501.db2.gz VJDVRUZAQRISHN-UHFFFAOYSA-N 2 0 237.423 0.517 40 0 BCABRP C[N@@H+]1CCCC[C@@H]1CN(CC[NH3+])C1CC1 ZINC000079406366 173006133 /nfs/dbraw/zinc/00/61/33/173006133.db2.gz AFRWSEIPOOWDDD-GFCCVEGCSA-N 2 0 211.353 0.894 40 0 BCABRP C[N@@H+]1CCC[C@@H](c2nnc(CC[NH3+])o2)C1 ZINC000095828881 173023431 /nfs/dbraw/zinc/02/34/31/173023431.db2.gz YYCRESYKHURAJR-MRVPVSSYSA-N 2 0 210.281 0.380 40 0 BCABRP C[N@@H+]1CCC[C@@H](c2nnc3n2CC[NH+](C)CC3)C1 ZINC000072352744 173174068 /nfs/dbraw/zinc/17/40/68/173174068.db2.gz FJMYXAHEWDAZNE-LLVKDONJSA-N 2 0 249.362 0.575 40 0 BCABRP CNc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329060822 173208288 /nfs/dbraw/zinc/20/82/88/173208288.db2.gz WODMNXFRJBPNCS-UHFFFAOYSA-N 2 0 249.362 0.603 40 0 BCABRP C[C@@H]1C[N@H+](CCC[NH3+])[C@H](C)CN1CCC[NH3+] ZINC000019362116 176289144 /nfs/dbraw/zinc/28/91/44/176289144.db2.gz CDJBQQIDYCQYHJ-VXGBXAGGSA-N 3 0 228.384 0.079 40 0 BCABRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH2+]C2 ZINC000306128977 398199944 /nfs/dbraw/zinc/19/99/44/398199944.db2.gz HQAGKEKPMYEGBO-STQMWFEESA-N 2 0 224.348 0.954 40 0 BCABRP CC(C)[C@@H]([C@@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210613 259317561 /nfs/dbraw/zinc/31/75/61/259317561.db2.gz ARKBGFLZIWNJIN-QWRGUYRKSA-N 2 0 200.326 0.674 40 0 BCABRP CC[NH+](CC)[C@@H](C(C)C)[C@@H](C[NH3+])CO ZINC000072210605 259317540 /nfs/dbraw/zinc/31/75/40/259317540.db2.gz YWNMXCHZESQTCM-QWRGUYRKSA-N 2 0 202.342 0.920 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526602 343325560 /nfs/dbraw/zinc/32/55/60/343325560.db2.gz KHECTEPPROILEL-NSHDSACASA-N 2 0 227.352 0.428 40 0 BCABRP C[NH+]1CCN(c2cccc(CC[NH3+])n2)CC1 ZINC000213361496 343792029 /nfs/dbraw/zinc/79/20/29/343792029.db2.gz CJWXJIOIDZZEDM-UHFFFAOYSA-N 2 0 220.320 0.335 40 0 BCABRP CO[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1OC ZINC000234796514 343795100 /nfs/dbraw/zinc/79/51/00/343795100.db2.gz YETTYCYSDPLKON-PHIMTYICSA-N 2 0 214.309 0.084 40 0 BCABRP [NH2+]=C(CN1CC[NH+]([C@H]2CCSC2)CC1)NO ZINC000405518952 343812067 /nfs/dbraw/zinc/81/20/67/343812067.db2.gz VEBZRFUEOCMWLS-VIFPVBQESA-N 2 0 244.364 0.066 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@@H](O)[C@H](CCF)C1 ZINC000409425341 343819352 /nfs/dbraw/zinc/81/93/52/343819352.db2.gz AJCNNHQRYNFYAL-NXEZZACHSA-N 2 0 204.289 0.378 40 0 BCABRP CO[C@H]1C[N@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000409433483 343832709 /nfs/dbraw/zinc/83/27/09/343832709.db2.gz MVRDCEBVQZDTRX-MNOVXSKESA-N 2 0 224.308 0.104 40 0 BCABRP [NH3+]CCC[N@@H+]1C[C@H](CO)C2(CCCC2)C1 ZINC000409434645 343834111 /nfs/dbraw/zinc/83/41/11/343834111.db2.gz PYONUMUNYDRNDE-LLVKDONJSA-N 2 0 212.337 0.820 40 0 BCABRP CC1(C)C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1CO ZINC000409434769 343834881 /nfs/dbraw/zinc/83/48/81/343834881.db2.gz QMTRWNSCRHODAR-SNVBAGLBSA-N 2 0 212.337 0.689 40 0 BCABRP C1C[C@@H](N2CC[NH2+]CC2)[C@H]([NH+]2CCOCC2)C1 ZINC000409441573 343859665 /nfs/dbraw/zinc/85/96/65/343859665.db2.gz PUOWATBWXSBAFM-CHWSQXEVSA-N 2 0 239.363 0.145 40 0 BCABRP C1C[C@@H](N2CC[NH2+]CC2)[C@@H]([NH+]2CCOCC2)C1 ZINC000409441574 343860279 /nfs/dbraw/zinc/86/02/79/343860279.db2.gz PUOWATBWXSBAFM-OLZOCXBDSA-N 2 0 239.363 0.145 40 0 BCABRP CC[NH+]1CCN(c2cc(N)[nH+]c(C)n2)CC1 ZINC000087805598 345941067 /nfs/dbraw/zinc/94/10/67/345941067.db2.gz YGQRJXUWPIXDFJ-UHFFFAOYSA-N 2 0 221.308 0.509 40 0 BCABRP CC[NH+](CC)C[C@H](O)C[NH2+]CC(C)C ZINC000001668543 346462696 /nfs/dbraw/zinc/46/26/96/346462696.db2.gz ZIFFYQPJTMNODT-LLVKDONJSA-N 2 0 202.342 0.935 40 0 BCABRP Cc1cccc[n+]1CC(O)C[n+]1ccccc1C ZINC000001666257 179233716 /nfs/dbraw/zinc/23/37/16/179233716.db2.gz WWMZJWBRCSPTTM-UHFFFAOYSA-N 2 0 244.338 0.940 40 0 BCABRP Cc1nn(C)c(C)c1CC[N@H+](C)CCC[NH3+] ZINC000096523785 180336377 /nfs/dbraw/zinc/33/63/77/180336377.db2.gz DAMSMWLLMGVTAM-UHFFFAOYSA-N 2 0 224.352 0.860 40 0 BCABRP CC(C)[C@H]([NH3+])CCN1CCC[N@H+](C)CC1 ZINC000096523794 188147868 /nfs/dbraw/zinc/14/78/68/188147868.db2.gz WVWCPSJSOSQZFK-GFCCVEGCSA-N 2 0 213.369 0.997 40 0 BCABRP NC(=[NH2+])c1ccccc1C[NH+]1CCC(O)CC1 ZINC000019473634 181196610 /nfs/dbraw/zinc/19/66/10/181196610.db2.gz QYMVDSWWPDYIJO-UHFFFAOYSA-N 2 0 233.315 0.927 40 0 BCABRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000158307441 358904103 /nfs/dbraw/zinc/90/41/03/358904103.db2.gz DKWXAKVNYYPTQG-MNOVXSKESA-N 2 0 225.336 0.278 40 0 BCABRP C[NH+](C)[C@@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210320 259523554 /nfs/dbraw/zinc/52/35/54/259523554.db2.gz DRTRPLQLKVCVGO-RYUDHWBXSA-N 2 0 208.305 0.857 40 0 BCABRP CCN(C(=O)C[NH3+])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079406922 169636537 /nfs/dbraw/zinc/63/65/37/169636537.db2.gz QXGGMYDCPOVOOW-GHMZBOCLSA-N 2 0 227.352 0.666 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538779 383912202 /nfs/dbraw/zinc/91/22/02/383912202.db2.gz JJNCQGUDLDTSQA-MNOVXSKESA-N 2 0 227.352 0.428 40 0 BCABRP C[NH+](C)C[C@H]1CC[C@H](C[NH+](C)C)C1O ZINC000001671220 383920824 /nfs/dbraw/zinc/92/08/24/383920824.db2.gz LXGXQXJZWJTSQR-NXEZZACHSA-N 2 0 200.326 0.497 40 0 BCABRP C[NH+](C)C[C@H]1CC[C@@H](C[NH+](C)C)C1O ZINC000001671218 383920834 /nfs/dbraw/zinc/92/08/34/383920834.db2.gz LXGXQXJZWJTSQR-ZACCUICWSA-N 2 0 200.326 0.497 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407160 384134961 /nfs/dbraw/zinc/13/49/61/384134961.db2.gz BUTQYGAROIBXNU-GARJFASQSA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000079407654 384135197 /nfs/dbraw/zinc/13/51/97/384135197.db2.gz RIGURTVBDABWNJ-NEPJUHHUSA-N 2 0 241.379 0.911 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407371 384135360 /nfs/dbraw/zinc/13/53/60/384135360.db2.gz LTMWWOFMNUWZPW-ONGXEEELSA-N 2 0 225.336 0.419 40 0 BCABRP CCN(CC1CC[NH+](C)CC1)C(=O)C[NH3+] ZINC000079406907 384135670 /nfs/dbraw/zinc/13/56/70/384135670.db2.gz CUUMOECXNRTCGC-UHFFFAOYSA-N 2 0 213.325 0.135 40 0 BCABRP CN(C(=O)C[NH3+])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406841 384135749 /nfs/dbraw/zinc/13/57/49/384135749.db2.gz SINGDZPSPZDUAI-UWVGGRQHSA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)N(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407327 384136218 /nfs/dbraw/zinc/13/62/18/384136218.db2.gz ALWHQJQWCWXQJX-NWDGAFQWSA-N 2 0 241.379 0.912 40 0 BCABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000079407295 384137095 /nfs/dbraw/zinc/13/70/95/384137095.db2.gz ADKSXRAGEQOHEM-WDEREUQCSA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079419304 384144097 /nfs/dbraw/zinc/14/40/97/384144097.db2.gz NSGQVMJZISJCPI-JTQLQIEISA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419334 384144543 /nfs/dbraw/zinc/14/45/43/384144543.db2.gz SQILJTQTTDIVEO-LLVKDONJSA-N 2 0 227.352 0.524 40 0 BCABRP CC(C)[C@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190244 384181292 /nfs/dbraw/zinc/18/12/92/384181292.db2.gz UHMRRACYLXRHHF-GFCCVEGCSA-N 2 0 213.369 0.996 40 0 BCABRP CC(C)[C@@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190246 384182707 /nfs/dbraw/zinc/18/27/07/384182707.db2.gz UHMRRACYLXRHHF-LBPRGKRZSA-N 2 0 213.369 0.996 40 0 BCABRP C[N@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178211 384283259 /nfs/dbraw/zinc/28/32/59/384283259.db2.gz RFDMCJNIQPTNLM-PHIMTYICSA-N 2 0 212.337 0.974 40 0 BCABRP [NH3+]C[C@@H](CO)C1([NH+]2CCCC2)CCCC1 ZINC000072210390 385068850 /nfs/dbraw/zinc/06/88/50/385068850.db2.gz DDNPDMGYKJEXSX-NSHDSACASA-N 2 0 212.337 0.962 40 0 BCABRP C[NH+](C)C1([C@H](C[NH3+])CO)CCCCC1 ZINC000072210377 385068906 /nfs/dbraw/zinc/06/89/06/385068906.db2.gz KVHTXDYFBOXQRQ-SNVBAGLBSA-N 2 0 200.326 0.818 40 0 BCABRP Cc1cc([C@@H](C)[NH3+])cnc1N1CC[NH2+]CC1 ZINC000072222539 385110186 /nfs/dbraw/zinc/11/01/86/385110186.db2.gz MTJBKVKFMOPOHU-SNVBAGLBSA-N 2 0 220.320 0.819 40 0 BCABRP c1cc(N2CC[NH2+]CC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072216264 385092214 /nfs/dbraw/zinc/09/22/14/385092214.db2.gz UODUNAZWULACRR-LBPRGKRZSA-N 2 0 232.331 0.916 40 0 BCABRP C[NH+]1CCC(N2CCN(CCC[NH3+])CC2)CC1 ZINC000096523790 385266903 /nfs/dbraw/zinc/26/69/03/385266903.db2.gz PJWSALLNBUTHOT-UHFFFAOYSA-N 2 0 240.395 0.047 40 0 BCABRP c1ccc2c(c1)=[NH+]CC=2CC1=c2ccccc2=[NH+]C1 ZINC000063151181 385553979 /nfs/dbraw/zinc/55/39/79/385553979.db2.gz KCMFLFJESHHDDK-UHFFFAOYSA-N 2 0 246.313 0.345 40 0 BCABRP C[NH+](C)CCn1c(=O)ccc2c1CC[C@H]([NH3+])C2 ZINC000096260649 387026339 /nfs/dbraw/zinc/02/63/39/387026339.db2.gz XFPAZBPCPKOBPK-NSHDSACASA-N 2 0 235.331 0.226 40 0 BCABRP C[NH2+][C@H](C)CNC(=O)c1c[nH+]ccc1N ZINC000261543214 388582951 /nfs/dbraw/zinc/58/29/51/388582951.db2.gz HQHJPFJZHWVQHQ-SSDOTTSWSA-N 2 0 208.265 0.002 40 0 BCABRP CCS(=O)(=O)[C@]1(C[NH3+])C[C@H](C[NH3+])C[C@H]1C ZINC000242425583 388720585 /nfs/dbraw/zinc/72/05/85/388720585.db2.gz BPSSMVVYPCRBDD-BBBLOLIVSA-N 2 0 234.365 0.123 40 0 BCABRP [NH3+][C@H]1CN(Cc2ccccc2)CC12COC2 ZINC000095913228 388790327 /nfs/dbraw/zinc/79/03/27/388790327.db2.gz LLMKHEIMRUSUMD-LBPRGKRZSA-N 2 0 218.300 0.846 40 0 BCABRP CC[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043567889 132224848 /nfs/dbraw/zinc/22/48/48/132224848.db2.gz MSXVVUJRDQQZKI-UHFFFAOYSA-N 2 0 206.293 0.806 40 0 BCABRP C[N@@H+]1CCC[C@@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828886 173022675 /nfs/dbraw/zinc/02/26/75/173022675.db2.gz RCFIMXTVQPKQJE-SECBINFHSA-N 2 0 224.308 0.770 40 0 BCABRP C[N@@H+]1CCC[C@H](CN(C(=O)C[NH3+])C2CC2)C1 ZINC000079407059 173038118 /nfs/dbraw/zinc/03/81/18/173038118.db2.gz HZXURALNIVEIAZ-JTQLQIEISA-N 2 0 225.336 0.278 40 0 BCABRP C[NH+]1CCN(CCOc2cc[nH+]c(N)c2)CC1 ZINC000098175311 173082289 /nfs/dbraw/zinc/08/22/89/173082289.db2.gz WVXIDSOQIAHIMJ-UHFFFAOYSA-N 2 0 236.319 0.290 40 0 BCABRP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CO)c1 ZINC000017040297 534961972 /nfs/dbraw/zinc/96/19/72/534961972.db2.gz XNKSABHLNKPJGF-UHFFFAOYSA-N 2 0 247.302 0.364 40 0 BCABRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH2+]C2 ZINC000306128976 398199969 /nfs/dbraw/zinc/19/99/69/398199969.db2.gz HQAGKEKPMYEGBO-OLZOCXBDSA-N 2 0 224.348 0.954 40 0 BCABRP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000002512957 342721837 /nfs/dbraw/zinc/72/18/37/342721837.db2.gz CZCYWYTZXZUBOO-OLZOCXBDSA-N 2 0 220.316 0.828 40 0 BCABRP Cc1cc(C[NH3+])cnc1N1CC[NH+](C)CC1 ZINC000072222555 259320682 /nfs/dbraw/zinc/32/06/82/259320682.db2.gz CGBYDFFNVDKNAV-UHFFFAOYSA-N 2 0 220.320 0.601 40 0 BCABRP C[NH2+]Cc1cnc(N2CC[NH2+]CC2)cc1C ZINC000072223588 259321495 /nfs/dbraw/zinc/32/14/95/259321495.db2.gz UKKBZGGYVUZTAE-UHFFFAOYSA-N 2 0 220.320 0.519 40 0 BCABRP NC(=[NH2+])c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000242581756 259325953 /nfs/dbraw/zinc/32/59/53/259325953.db2.gz OELSGMOBOVUDBY-NSHDSACASA-N 2 0 246.314 0.196 40 0 BCABRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000218852790 398328949 /nfs/dbraw/zinc/32/89/49/398328949.db2.gz MUMDWSBDNNTCKK-VXGBXAGGSA-N 2 0 227.352 0.178 40 0 BCABRP COC(=O)[C@H](C)C[NH2+]CCC[NH+](C)C ZINC000035133546 343286395 /nfs/dbraw/zinc/28/63/95/343286395.db2.gz UHZBRCRZQLOYJA-SECBINFHSA-N 2 0 202.298 0.337 40 0 BCABRP COC(=O)[C@H](C)C[NH2+]CCN1CCCC1 ZINC000047219161 343559769 /nfs/dbraw/zinc/55/97/69/343559769.db2.gz CGLHPTMGLYTFRV-SNVBAGLBSA-N 2 0 214.309 0.481 40 0 BCABRP C[NH2+]CC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000037823617 343783229 /nfs/dbraw/zinc/78/32/29/343783229.db2.gz DXKPUHGPPKMQPV-UHFFFAOYSA-N 2 0 227.352 0.396 40 0 BCABRP [NH3+]CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000197487051 343792150 /nfs/dbraw/zinc/79/21/50/343792150.db2.gz CLMHRKPCIUHZPD-UHFFFAOYSA-N 2 0 234.303 0.079 40 0 BCABRP CO[C@H]1CCO[C@]2(CCC[N@H+](CCC[NH3+])C2)C1 ZINC000409426975 343799667 /nfs/dbraw/zinc/79/96/67/343799667.db2.gz DKWDUVJHNCYZOB-QWHCGFSZSA-N 2 0 242.363 0.995 40 0 BCABRP Cc1nc(N2CC[NH2+]CC2)cc(N2CCC2)[nH+]1 ZINC000409427178 343800151 /nfs/dbraw/zinc/80/01/51/343800151.db2.gz HUOUSGOIDHPLQF-UHFFFAOYSA-N 2 0 233.319 0.405 40 0 BCABRP [NH2+]=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)NO ZINC000405518948 343812356 /nfs/dbraw/zinc/81/23/56/343812356.db2.gz VEBZRFUEOCMWLS-SECBINFHSA-N 2 0 244.364 0.066 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@H](O)[C@H](CCF)C1 ZINC000409425348 343819269 /nfs/dbraw/zinc/81/92/69/343819269.db2.gz AJCNNHQRYNFYAL-ZJUUUORDSA-N 2 0 204.289 0.378 40 0 BCABRP [NH3+]CCCN1CCC([NH+]2CCSCC2)CC1 ZINC000409426091 343821417 /nfs/dbraw/zinc/82/14/17/343821417.db2.gz HMBQKDOJFAXTRV-UHFFFAOYSA-N 2 0 243.420 0.848 40 0 BCABRP [NH3+]CCC[N@@H+]1CC[C@H](O)[C@@H](CC2CC2)C1 ZINC000409429428 343805632 /nfs/dbraw/zinc/80/56/32/343805632.db2.gz HKUSBGAKDTYWRT-RYUDHWBXSA-N 2 0 212.337 0.818 40 0 BCABRP COCC[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000409429825 343806714 /nfs/dbraw/zinc/80/67/14/343806714.db2.gz PHYUYUSSTODKSW-UHFFFAOYSA-N 2 0 227.352 0.002 40 0 BCABRP [NH3+]CCC[N@@H+]1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409430728 343809340 /nfs/dbraw/zinc/80/93/40/343809340.db2.gz IXKWAJDLYCPCAJ-RYUDHWBXSA-N 2 0 228.336 0.341 40 0 BCABRP [NH3+]CC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCCC1 ZINC000409441192 343855554 /nfs/dbraw/zinc/85/55/54/343855554.db2.gz NSQGPBFSHAZUEP-ZJUUUORDSA-N 2 0 211.309 0.078 40 0 BCABRP CCC[C@@H]1C[N@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435089 343836344 /nfs/dbraw/zinc/83/63/44/343836344.db2.gz SHABCNHOKJBKPS-MNOVXSKESA-N 2 0 200.326 0.818 40 0 BCABRP OC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC12CCC2 ZINC000409436368 343838767 /nfs/dbraw/zinc/83/87/67/343838767.db2.gz ZNUGAHIUKRSKPW-NSHDSACASA-N 2 0 224.348 0.833 40 0 BCABRP CC[NH+]1CCC(N2CCC[C@H]([NH3+])C2)CC1 ZINC000041027579 350405935 /nfs/dbraw/zinc/40/59/35/350405935.db2.gz HGRAFPGWUGENLZ-NSHDSACASA-N 2 0 211.353 0.894 40 0 BCABRP CO[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1n1cccn1 ZINC000409434220 350473564 /nfs/dbraw/zinc/47/35/64/350473564.db2.gz OPLZGDDRRLENTQ-GHMZBOCLSA-N 2 0 224.308 0.104 40 0 BCABRP C([C@@H]1CCCO1)[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531577 188148054 /nfs/dbraw/zinc/14/80/54/188148054.db2.gz NOZCQDCYRYNLRI-LBPRGKRZSA-N 2 0 240.347 0.620 40 0 BCABRP CC[NH+](CC)CCN1CCC[C@@H]([NH3+])C1=O ZINC000070061952 259523242 /nfs/dbraw/zinc/52/32/42/259523242.db2.gz DPUNOWWDWPEXAS-SNVBAGLBSA-N 2 0 213.325 0.278 40 0 BCABRP [NH3+]CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404053 181352542 /nfs/dbraw/zinc/35/25/42/181352542.db2.gz UFPNGJVADXICDU-ZDUSSCGKSA-N 2 0 247.342 0.726 40 0 BCABRP [NH3+]CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169809362 181366561 /nfs/dbraw/zinc/36/65/61/181366561.db2.gz JYHAEERNQQKMSO-LBPRGKRZSA-N 2 0 233.315 0.508 40 0 BCABRP O[C@H]1Cn2cc3cccc[n+]3c2-c2cccc[n+]21 ZINC000005395748 183249454 /nfs/dbraw/zinc/24/94/54/183249454.db2.gz CIUUGIHAMCSTPA-ZDUSSCGKSA-N 2 0 239.278 0.686 40 0 BCABRP c1cc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccn1 ZINC000096249705 183343576 /nfs/dbraw/zinc/34/35/76/183343576.db2.gz DJDVDQKHCYQPLY-ZIAGYGMSSA-N 2 0 247.342 0.892 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826078 383892489 /nfs/dbraw/zinc/89/24/89/383892489.db2.gz QOLZBFAQLHOCHO-LBPRGKRZSA-N 2 0 241.379 0.770 40 0 BCABRP O=C1c2ccc[n+]3c2-c2c1ccc[n+]2CC3 ZINC000001564234 383904098 /nfs/dbraw/zinc/90/40/98/383904098.db2.gz CTGQTVWSMPEGCL-UHFFFAOYSA-N 2 0 210.236 0.487 40 0 BCABRP CCN(C[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407231 384136496 /nfs/dbraw/zinc/13/64/96/384136496.db2.gz XQPZRJNDHJNIOA-QWRGUYRKSA-N 2 0 227.352 0.666 40 0 BCABRP [NH3+]C[C@H](CO)C1([NH+]2CCCC2)CCCC1 ZINC000072210391 384154535 /nfs/dbraw/zinc/15/45/35/384154535.db2.gz DDNPDMGYKJEXSX-LLVKDONJSA-N 2 0 212.337 0.962 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC000079419567 384142253 /nfs/dbraw/zinc/14/22/53/384142253.db2.gz YPXCUZPYUJMYDU-NEPJUHHUSA-N 2 0 241.379 0.911 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419329 384143524 /nfs/dbraw/zinc/14/35/24/384143524.db2.gz SQILJTQTTDIVEO-NSHDSACASA-N 2 0 227.352 0.524 40 0 BCABRP Cn1ncc(C[NH3+])c1C[NH+]1CCCCC1 ZINC000082640802 384254180 /nfs/dbraw/zinc/25/41/80/384254180.db2.gz GDYOSIRWUBMAFP-UHFFFAOYSA-N 2 0 208.309 0.865 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000100177618 384283154 /nfs/dbraw/zinc/28/31/54/384283154.db2.gz ZEKNMOYSTCUUIH-GARJFASQSA-N 2 0 239.363 0.855 40 0 BCABRP C[N@H+](CC1CCN(CC[NH3+])CC1)C1CC1 ZINC000079419082 384496242 /nfs/dbraw/zinc/49/62/42/384496242.db2.gz ZBJPHRVHQQFVEP-UHFFFAOYSA-N 2 0 211.353 0.751 40 0 BCABRP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082303072 384663684 /nfs/dbraw/zinc/66/36/84/384663684.db2.gz BDMYDZPNBXSDCW-SNVBAGLBSA-N 2 0 213.325 0.006 40 0 BCABRP c1cnc(N2CC[NH2+]CC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072216325 385095098 /nfs/dbraw/zinc/09/50/98/385095098.db2.gz CKKABBROOPQCAA-GFCCVEGCSA-N 2 0 232.331 0.916 40 0 BCABRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)[nH]n1 ZINC000096523643 385269379 /nfs/dbraw/zinc/26/93/79/385269379.db2.gz BBYORTUGIRCDGV-UHFFFAOYSA-N 2 0 208.309 0.889 40 0 BCABRP C[C@H]([NH3+])CN1CCN(C2CC[NH+](C)CC2)CC1 ZINC000096523918 385272759 /nfs/dbraw/zinc/27/27/59/385272759.db2.gz QUBCEUKYJHEVMY-LBPRGKRZSA-N 2 0 240.395 0.045 40 0 BCABRP [NH3+]CCCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000409428977 385328716 /nfs/dbraw/zinc/32/87/16/385328716.db2.gz NKSUBCUVAPVPOM-LLVKDONJSA-N 2 0 229.393 0.458 40 0 BCABRP C[NH+](C)[C@H]1CC2(CC[NH2+]CC2)OC[C@]1(C)O ZINC000257295402 385760888 /nfs/dbraw/zinc/76/08/88/385760888.db2.gz QYEBFTKADVFTQW-QWRGUYRKSA-N 2 0 228.336 0.210 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644903 386524895 /nfs/dbraw/zinc/52/48/95/386524895.db2.gz FQNGKBJHXSSVAZ-QWRGUYRKSA-N 2 0 227.352 0.522 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644902 386526875 /nfs/dbraw/zinc/52/68/75/386526875.db2.gz FQNGKBJHXSSVAZ-MNOVXSKESA-N 2 0 227.352 0.522 40 0 BCABRP CSCC[C@H]([NH3+])CN1CCC[C@H]1CO ZINC000242554634 387223973 /nfs/dbraw/zinc/22/39/73/387223973.db2.gz MQFYDCIFDYLMIN-UWVGGRQHSA-N 2 0 218.366 0.524 40 0 BCABRP [NH3+][C@H]1CCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000218852863 388393200 /nfs/dbraw/zinc/39/32/00/388393200.db2.gz MUMDWSBDNNTCKK-NWDGAFQWSA-N 2 0 227.352 0.178 40 0 BCABRP C[NH+](C)CCCN1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225715441 388840084 /nfs/dbraw/zinc/84/00/84/388840084.db2.gz BZRHNCMYNXMFJY-NEPJUHHUSA-N 2 0 211.353 0.764 40 0 BCABRP C[NH+](C)CCCN1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225715467 388840483 /nfs/dbraw/zinc/84/04/83/388840483.db2.gz BZRHNCMYNXMFJY-RYUDHWBXSA-N 2 0 211.353 0.764 40 0 BCABRP C[NH+]1CCC(N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000225720472 388842566 /nfs/dbraw/zinc/84/25/66/388842566.db2.gz RCWJXZXIEZZDJZ-NEPJUHHUSA-N 2 0 211.353 0.940 40 0 BCABRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000087121980 135106929 /nfs/dbraw/zinc/10/69/29/135106929.db2.gz MHVQBDFSJRWPGK-ZJUUUORDSA-N 2 0 213.325 0.052 40 0 BCABRP Cc1cc(NCC[NH3+])nc(NC2CC2)[nH+]1 ZINC000409429896 411646347 /nfs/dbraw/zinc/64/63/47/411646347.db2.gz UFPMZVXOXYPKRD-UHFFFAOYSA-N 2 0 207.281 0.730 40 0 BCABRP C[N@@H+]1CCCN(c2ncccc2C[NH3+])CC1 ZINC000020217472 173019766 /nfs/dbraw/zinc/01/97/66/173019766.db2.gz WXDZAGRKJZVCQO-UHFFFAOYSA-N 2 0 220.320 0.682 40 0 BCABRP C[N@@H+]1CCC[C@H]1CN(C(=O)C[NH3+])C1CC1 ZINC000079407022 173052829 /nfs/dbraw/zinc/05/28/29/173052829.db2.gz QYHYXKDOOAEMBY-JTQLQIEISA-N 2 0 211.309 0.030 40 0 BCABRP C[NH+]1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000019852585 173085709 /nfs/dbraw/zinc/08/57/09/173085709.db2.gz KMCHDYCSFDJBSI-AWEZNQCLSA-N 2 0 233.359 0.804 40 0 BCABRP C[N@H+]1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1 ZINC000072343601 173174828 /nfs/dbraw/zinc/17/48/28/173174828.db2.gz QXOLGIZUZZCDRZ-SNVBAGLBSA-N 2 0 235.335 0.233 40 0 BCABRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH2+]C2)C1 ZINC000306139208 173193229 /nfs/dbraw/zinc/19/32/29/173193229.db2.gz SSCWZVGLASQWRM-OLZOCXBDSA-N 2 0 224.348 0.954 40 0 BCABRP Cc1nc(N)c(C[n+]2ccccc2)c[n+]1C ZINC000015780590 342900922 /nfs/dbraw/zinc/90/09/22/342900922.db2.gz HPJKDWHPJXKJCP-UHFFFAOYSA-O 2 0 216.288 0.133 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035222941 343303443 /nfs/dbraw/zinc/30/34/43/343303443.db2.gz CYYISHHAQAKICG-AAEUAGOBSA-N 2 0 247.342 0.724 40 0 BCABRP COC(=O)[C@@H](C)C[NH2+]CCN1CCCCC1 ZINC000047219164 343559861 /nfs/dbraw/zinc/55/98/61/343559861.db2.gz ONPAOCJDMSHNKS-NSHDSACASA-N 2 0 228.336 0.871 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826925 343783177 /nfs/dbraw/zinc/78/31/77/343783177.db2.gz TWMCOKRFHBBPQX-NSHDSACASA-N 2 0 239.363 0.811 40 0 BCABRP [NH3+]Cc1cn(CCC2CC[NH2+]CC2)nn1 ZINC000409426845 343799096 /nfs/dbraw/zinc/79/90/96/343799096.db2.gz SKSIKANACSLLNG-UHFFFAOYSA-N 2 0 209.297 0.127 40 0 BCABRP COC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1C ZINC000409425695 343820340 /nfs/dbraw/zinc/82/03/40/343820340.db2.gz GNGIHPOXQZXAHM-QWRGUYRKSA-N 2 0 212.337 0.953 40 0 BCABRP Cc1cc(N2CC[NH2+]CC2)nc(N2CCC2)[nH+]1 ZINC000409426087 343821535 /nfs/dbraw/zinc/82/15/35/343821535.db2.gz CVEZMYVMSOZXFN-UHFFFAOYSA-N 2 0 233.319 0.405 40 0 BCABRP [NH3+]CCC[N@@H+]1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409426370 343822330 /nfs/dbraw/zinc/82/23/30/343822330.db2.gz CDUFPKPAHHGJGX-NWDGAFQWSA-N 2 0 212.337 0.820 40 0 BCABRP C[NH+]1C[C@@H]2CN(c3cc(N)ncn3)C[C@H]2C1 ZINC000409432034 343825138 /nfs/dbraw/zinc/82/51/38/343825138.db2.gz SQSGUNWPRZUINH-RKDXNWHRSA-N 2 0 219.292 0.057 40 0 BCABRP CCOC[C@H]1C[N@H+](CCC[NH3+])C[C@@H]1C ZINC000409432636 343826879 /nfs/dbraw/zinc/82/68/79/343826879.db2.gz LMFCFPZOLHQXRO-WDEREUQCSA-N 2 0 200.326 0.940 40 0 BCABRP CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ncn1 ZINC000409432590 343827042 /nfs/dbraw/zinc/82/70/42/343827042.db2.gz WIAJSBFWWOOXQS-AOOOYVTPSA-N 2 0 233.319 0.516 40 0 BCABRP CO[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000409433487 343829008 /nfs/dbraw/zinc/82/90/08/343829008.db2.gz MVRDCEBVQZDTRX-WDEREUQCSA-N 2 0 224.308 0.104 40 0 BCABRP CC(C)C[C@@H]1CN(CC[NH3+])CC[C@H]1O ZINC000409436050 343836566 /nfs/dbraw/zinc/83/65/66/343836566.db2.gz XVWTZXVRMHWTGH-GHMZBOCLSA-N 2 0 200.326 0.674 40 0 BCABRP CC(C)C[C@H]1CN(CC[NH3+])CC[C@@H]1O ZINC000409436052 343837007 /nfs/dbraw/zinc/83/70/07/343837007.db2.gz XVWTZXVRMHWTGH-QWRGUYRKSA-N 2 0 200.326 0.674 40 0 BCABRP CCO[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1OC ZINC000409436470 343838177 /nfs/dbraw/zinc/83/81/77/343838177.db2.gz ZZAAKRVVPNQTOU-NXEZZACHSA-N 2 0 202.298 0.071 40 0 BCABRP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257723016 345781740 /nfs/dbraw/zinc/78/17/40/345781740.db2.gz TYHWLXKIAYOOHF-VXGBXAGGSA-N 2 0 239.363 0.526 40 0 BCABRP C[NH+](C)CCNc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908965 345939910 /nfs/dbraw/zinc/93/99/10/345939910.db2.gz BECDRKANDCXWIS-UHFFFAOYSA-N 2 0 221.308 0.910 40 0 BCABRP CCNc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000062718414 259408205 /nfs/dbraw/zinc/40/82/05/259408205.db2.gz IEEYCKVQNGKPCX-UHFFFAOYSA-N 2 0 249.362 0.998 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC000100202361 191073058 /nfs/dbraw/zinc/07/30/58/191073058.db2.gz RJCXBOCPEFGANO-SRVKXCTJSA-N 2 0 241.379 0.959 40 0 BCABRP [NH3+]CC1CC[NH+](CCn2ccnc2)CC1 ZINC000044514324 259413449 /nfs/dbraw/zinc/41/34/49/259413449.db2.gz WNTAKTMZHRNOFP-UHFFFAOYSA-N 2 0 208.309 0.554 40 0 BCABRP [NH2+]=C(CN1CCC([NH+]2CCCC2)CC1)NO ZINC000384400759 358334745 /nfs/dbraw/zinc/33/47/45/358334745.db2.gz PKDOWCJFOLYZBR-UHFFFAOYSA-N 2 0 226.324 0.503 40 0 BCABRP [NH3+]CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404066 181355780 /nfs/dbraw/zinc/35/57/80/181355780.db2.gz TWDBPFSITKTFCX-ZDUSSCGKSA-N 2 0 247.342 0.726 40 0 BCABRP [NH3+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035018166 181355847 /nfs/dbraw/zinc/35/58/47/181355847.db2.gz YPWKQQRQPOSWHR-LBPRGKRZSA-N 2 0 233.315 0.336 40 0 BCABRP CN(C[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000020073275 371227007 /nfs/dbraw/zinc/22/70/07/371227007.db2.gz JLFPYNBENDEXLN-NSHDSACASA-N 2 0 211.353 0.764 40 0 BCABRP OC1C[n+]2ccccc2-c2cccc[n+]2C1 ZINC000001723495 183032445 /nfs/dbraw/zinc/03/24/45/183032445.db2.gz BVMDVNNGUZQBEM-UHFFFAOYSA-N 2 0 214.268 0.303 40 0 BCABRP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000019412896 169200947 /nfs/dbraw/zinc/20/09/47/169200947.db2.gz PCWWYQWRAWULDM-GFCCVEGCSA-N 2 0 239.363 0.540 40 0 BCABRP CCC[NH+]1CCN(C[C@@H]([NH3+])C(C)C)CC1 ZINC000020073775 169202550 /nfs/dbraw/zinc/20/25/50/169202550.db2.gz HEGJRCBHBBBYSO-GFCCVEGCSA-N 2 0 213.369 0.997 40 0 BCABRP Cc1cc(C)n2nc3nc(C)cc(C)[n+]3c2n1 ZINC000000408825 383866165 /nfs/dbraw/zinc/86/61/65/383866165.db2.gz MYVUSSJWIDTZKH-UHFFFAOYSA-O 2 0 229.287 0.516 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000044564418 383918319 /nfs/dbraw/zinc/91/83/19/383918319.db2.gz UGJNENWJXWXPDL-QWRGUYRKSA-N 2 0 227.352 0.570 40 0 BCABRP CC(C)N(C[C@@H]1CC[N@H+](C)C1)C(=O)C[NH3+] ZINC000079406944 384135411 /nfs/dbraw/zinc/13/54/11/384135411.db2.gz VZLPWAURGYKFNC-SNVBAGLBSA-N 2 0 213.325 0.134 40 0 BCABRP C[NH+](C)C1CCC([N@H+](C)CCO)CC1 ZINC000079405888 384135742 /nfs/dbraw/zinc/13/57/42/384135742.db2.gz JRXKYDDXBODBBC-UHFFFAOYSA-N 2 0 200.326 0.783 40 0 BCABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@H+](C)C1 ZINC000079407275 384135756 /nfs/dbraw/zinc/13/57/56/384135756.db2.gz LFPSXISSXRJOII-UWVGGRQHSA-N 2 0 213.325 0.275 40 0 BCABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000079407553 384135977 /nfs/dbraw/zinc/13/59/77/384135977.db2.gz VDXPIBBHZUJSPU-MNOVXSKESA-N 2 0 227.352 0.522 40 0 BCABRP CC(C)[N@H+](CCN)CC1CC[NH+](C)CC1 ZINC000079406312 384136358 /nfs/dbraw/zinc/13/63/58/384136358.db2.gz QQIXKYXMFFTFIT-UHFFFAOYSA-N 2 0 213.369 0.997 40 0 BCABRP CC(C)N(C[C@H]1CCC[N@@H+]1C)C(=O)C[NH3+] ZINC000079406941 384136571 /nfs/dbraw/zinc/13/65/71/384136571.db2.gz SIGDXOSYLQFYOU-SNVBAGLBSA-N 2 0 213.325 0.276 40 0 BCABRP CCN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H](C)[NH3+] ZINC000079407210 384136616 /nfs/dbraw/zinc/13/66/16/384136616.db2.gz OYKGTFMXHDQVLW-UWVGGRQHSA-N 2 0 213.325 0.134 40 0 BCABRP C[N@H+](CC1CCN(C(=O)C[NH3+])CC1)C1CC1 ZINC000079430292 384146729 /nfs/dbraw/zinc/14/67/29/384146729.db2.gz WRKPOCCTKRESMY-UHFFFAOYSA-N 2 0 225.336 0.278 40 0 BCABRP CCOC(=O)[C@@H](C[NH3+])C(C)(C)[NH+]1CCCC1 ZINC000072210408 384154384 /nfs/dbraw/zinc/15/43/84/384154384.db2.gz DSUZCXGFKNMLBK-SNVBAGLBSA-N 2 0 228.336 0.999 40 0 BCABRP CC[C@@](C)([C@@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210366 384154517 /nfs/dbraw/zinc/15/45/17/384154517.db2.gz SZJRGUUIIMJKGW-QWRGUYRKSA-N 2 0 200.326 0.818 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419472 384142277 /nfs/dbraw/zinc/14/22/77/384142277.db2.gz NAEFKELBJLUQPP-WCBMZHEXSA-N 2 0 211.309 0.029 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC([N@H+](C)C2CC2)CC1 ZINC000079419497 384145163 /nfs/dbraw/zinc/14/51/63/384145163.db2.gz WFEUIYODYUCKQK-VIFPVBQESA-N 2 0 225.336 0.419 40 0 BCABRP C[N@H+](C1CC1)C1CCC([NH2+]CCO)CC1 ZINC000079418937 384145551 /nfs/dbraw/zinc/14/55/51/384145551.db2.gz RFDMCJNIQPTNLM-UHFFFAOYSA-N 2 0 212.337 0.974 40 0 BCABRP C[NH+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000074920904 384312157 /nfs/dbraw/zinc/31/21/57/384312157.db2.gz VMPDNVLXPQJHPR-UHFFFAOYSA-N 2 0 241.379 0.786 40 0 BCABRP CN(C(=O)C[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178252 384283648 /nfs/dbraw/zinc/28/36/48/384283648.db2.gz OLLUJJASVWGFSQ-AOOOYVTPSA-N 2 0 213.325 0.276 40 0 BCABRP CC1CC[NH+](C[C@@H]2OC[C@H]([NH+](C)C)[C@H]2O)CC1 ZINC000514289410 384404405 /nfs/dbraw/zinc/40/44/05/384404405.db2.gz SGIWQAVXSDRLTN-RWMBFGLXSA-N 2 0 242.363 0.408 40 0 biogenic,in-vitro BCABRP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096240642 384445283 /nfs/dbraw/zinc/44/52/83/384445283.db2.gz JTZCKYZOLYNWBH-OLZOCXBDSA-N 2 0 242.363 0.722 40 0 BCABRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000086432897 384775439 /nfs/dbraw/zinc/77/54/39/384775439.db2.gz BQJLGWDOIHSBNJ-FOSCPWQOSA-N 2 0 210.321 0.726 40 0 BCABRP CC[C@](C)([C@@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210367 385068702 /nfs/dbraw/zinc/06/87/02/385068702.db2.gz SZJRGUUIIMJKGW-WDEREUQCSA-N 2 0 200.326 0.818 40 0 BCABRP [NH3+]Cc1cn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000095096506 385263133 /nfs/dbraw/zinc/26/31/33/385263133.db2.gz LPMWVUNMLOQRJM-JWHQNHQBSA-N 2 0 207.281 0.192 40 0 BCABRP [NH3+][C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000096523512 385268345 /nfs/dbraw/zinc/26/83/45/385268345.db2.gz PSSGIFZQLJLLHO-GFCCVEGCSA-N 2 0 211.353 0.895 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063122319 385596494 /nfs/dbraw/zinc/59/64/94/385596494.db2.gz NZBRGFMIZTYXAK-VIFPVBQESA-N 2 0 213.325 0.134 40 0 BCABRP [NH3+]CCc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000044373640 385829120 /nfs/dbraw/zinc/82/91/20/385829120.db2.gz LDFQXSKZZJTLSH-LBPRGKRZSA-N 2 0 206.289 0.929 40 0 BCABRP C[C@]([NH3+])(C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858222 385898551 /nfs/dbraw/zinc/89/85/51/385898551.db2.gz KWHTYQAVFBSINF-GXTWGEPZSA-N 2 0 247.342 0.714 40 0 BCABRP CC(C)(C)OC(=O)[C@H]([NH3+])C1CC(C[NH3+])C1 ZINC000575624466 386546089 /nfs/dbraw/zinc/54/60/89/386546089.db2.gz DNCNWRJXCUAEIO-AMDVSUOASA-N 2 0 214.309 0.640 40 0 BCABRP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccn2)C1 ZINC000242547661 388399589 /nfs/dbraw/zinc/39/95/89/388399589.db2.gz KQJHUDOKQYCDRG-JQWIXIFHSA-N 2 0 205.305 0.903 40 0 BCABRP CC(C)C[C@@H]([NH3+])CN1CCC[N@H+](C)CC1 ZINC000020217786 388591088 /nfs/dbraw/zinc/59/10/88/388591088.db2.gz NKNQMZOSROMBJG-GFCCVEGCSA-N 2 0 213.369 0.997 40 0 BCABRP C[N@@H+]1CCCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000242425555 388720890 /nfs/dbraw/zinc/72/08/90/388720890.db2.gz BOUWIZCGCNHTQB-GFCCVEGCSA-N 2 0 211.353 0.766 40 0 BCABRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115226 166968733 /nfs/dbraw/zinc/96/87/33/166968733.db2.gz WQSMZLVPECFIOL-GFCCVEGCSA-N 2 0 239.363 0.396 40 0 BCABRP CCN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[NH3+] ZINC000079406904 169896606 /nfs/dbraw/zinc/89/66/06/169896606.db2.gz LCPUODCYPCBBBH-JTQLQIEISA-N 2 0 213.325 0.135 40 0 BCABRP Cc1cc(NCC[NH3+])nc(NC2CCCC2)[nH+]1 ZINC000409430983 411646733 /nfs/dbraw/zinc/64/67/33/411646733.db2.gz XXCXKNLACSBRNY-UHFFFAOYSA-N 2 0 235.335 1.510 40 0 BCABRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C)CC1 ZINC000019504599 171369587 /nfs/dbraw/zinc/36/95/87/171369587.db2.gz IQHLYENUVUMFMI-VHSXEESVSA-N 2 0 213.325 0.134 40 0 BCABRP CC[C@H](C)[C@H]([NH3+])CN1CC[NH+](CC)CC1 ZINC000019852491 171396573 /nfs/dbraw/zinc/39/65/73/171396573.db2.gz ACCFMNPKQCCVEF-NWDGAFQWSA-N 2 0 213.369 0.997 40 0 BCABRP C[NH+](C)C[C@@H]1CC[C@@H](C[NH+](C)C)C1O ZINC000001671219 172490223 /nfs/dbraw/zinc/49/02/23/172490223.db2.gz LXGXQXJZWJTSQR-UWVGGRQHSA-N 2 0 200.326 0.497 40 0 BCABRP C[NH+]1CCC2(CC1)NN=C1CC[N@H+](C)C[C@H]12 ZINC000091244424 173003097 /nfs/dbraw/zinc/00/30/97/173003097.db2.gz LMWHQYILCVJMCX-SNVBAGLBSA-N 2 0 222.336 0.362 40 0 BCABRP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000062570175 173077032 /nfs/dbraw/zinc/07/70/32/173077032.db2.gz OKOYEHLBYYBZKI-FOSCPWQOSA-N 2 0 209.337 0.517 40 0 BCABRP C[NH+]1CCN(Cc2ccc(C(=[NH2+])NO)cc2)CC1 ZINC000019470798 173086438 /nfs/dbraw/zinc/08/64/38/173086438.db2.gz ZDMKZXIPKUOWBJ-UHFFFAOYSA-N 2 0 248.330 0.738 40 0 BCABRP C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2cccnc2)C1 ZINC000082379346 173119279 /nfs/dbraw/zinc/11/92/79/173119279.db2.gz JVZFEGVETJRMMF-VXGBXAGGSA-N 2 0 205.305 0.903 40 0 BCABRP C[N@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000257344218 173173677 /nfs/dbraw/zinc/17/36/77/173173677.db2.gz ZWEPIAGNGYESPC-VIFPVBQESA-N 2 0 221.308 0.191 40 0 BCABRP COCCN(C[C@@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000096523897 174297237 /nfs/dbraw/zinc/29/72/37/174297237.db2.gz NOUPRVXBBGHCPI-LLVKDONJSA-N 2 0 229.368 0.376 40 0 BCABRP Cc1cc(N2CC[NH+](C)CC2)ncc1C[NH3+] ZINC000072223597 259321465 /nfs/dbraw/zinc/32/14/65/259321465.db2.gz SWSGBRZNUNNVMV-UHFFFAOYSA-N 2 0 220.320 0.601 40 0 BCABRP Cc1cc(C[NH3+])cnc1N1CC[NH2+]CC1 ZINC000072222529 259320850 /nfs/dbraw/zinc/32/08/50/259320850.db2.gz YLUQQFVZVXECPE-UHFFFAOYSA-N 2 0 206.293 0.258 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000242522414 259326007 /nfs/dbraw/zinc/32/60/07/259326007.db2.gz ISBDAGONLADELG-SRVKXCTJSA-N 2 0 212.337 0.831 40 0 BCABRP CSCC[C@H]([NH3+])CN1CCC[N@H+](C)CC1 ZINC000110764256 398300760 /nfs/dbraw/zinc/30/07/60/398300760.db2.gz RZYMZNXQGMTMKD-NSHDSACASA-N 2 0 231.409 0.704 40 0 BCABRP CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101676987 398344782 /nfs/dbraw/zinc/34/47/82/398344782.db2.gz OWHBLDUFFFRUGE-GHMZBOCLSA-N 2 0 227.352 0.713 40 0 BCABRP COC(=O)[C@@H](C)C[NH2+]CCN1CCCC1 ZINC000047219160 343559672 /nfs/dbraw/zinc/55/96/72/343559672.db2.gz CGLHPTMGLYTFRV-JTQLQIEISA-N 2 0 214.309 0.481 40 0 BCABRP COC(=O)[C@@H](C)C[NH2+]CCCn1ccnc1 ZINC000047219180 343559870 /nfs/dbraw/zinc/55/98/70/343559870.db2.gz YMFYIOWJZXPKPG-JTQLQIEISA-N 2 0 225.292 0.672 40 0 BCABRP CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000019473247 343773681 /nfs/dbraw/zinc/77/36/81/343773681.db2.gz VWLJXHIBUDWHQI-LBPRGKRZSA-N 2 0 239.363 0.681 40 0 BCABRP Cc1nc(N(C)C2CC[NH+](C)CC2)cc(N)[nH+]1 ZINC000127814017 343787685 /nfs/dbraw/zinc/78/76/85/343787685.db2.gz AKDOVMGSKMYNLJ-UHFFFAOYSA-N 2 0 235.335 0.898 40 0 BCABRP CO[C@H]1CCO[C@@]2(CCC[N@H+](CCC[NH3+])C2)C1 ZINC000409426976 343799728 /nfs/dbraw/zinc/79/97/28/343799728.db2.gz DKWDUVJHNCYZOB-STQMWFEESA-N 2 0 242.363 0.995 40 0 BCABRP C[C@H](O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409425150 343818157 /nfs/dbraw/zinc/81/81/57/343818157.db2.gz FFFIXTAJALOUFL-QWRGUYRKSA-N 2 0 212.337 0.831 40 0 BCABRP Cn1ccc(C2CC[NH+](CCC[NH3+])CC2)n1 ZINC000409425633 343819954 /nfs/dbraw/zinc/81/99/54/343819954.db2.gz GHLWOJPAOLQYGT-UHFFFAOYSA-N 2 0 222.336 0.948 40 0 BCABRP COCC[N@H+](C1CC[NH2+]CC1)C1CCOCC1 ZINC000409429679 343806075 /nfs/dbraw/zinc/80/60/75/343806075.db2.gz HVNMDUCMQVFFTP-UHFFFAOYSA-N 2 0 242.363 0.866 40 0 BCABRP CO[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1n1cccn1 ZINC000409434325 343831466 /nfs/dbraw/zinc/83/14/66/343831466.db2.gz OPLZGDDRRLENTQ-WDEREUQCSA-N 2 0 224.308 0.104 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000409434422 343831612 /nfs/dbraw/zinc/83/16/12/343831612.db2.gz PCZGEMXPGOXRQQ-JTQLQIEISA-N 2 0 234.303 0.077 40 0 BCABRP [NH3+]CCc1noc([C@@H]2C[C@H]3CCC[N@@H+]3C2)n1 ZINC000409438034 343849329 /nfs/dbraw/zinc/84/93/29/343849329.db2.gz BUBPGMAXUGDYFL-RKDXNWHRSA-N 2 0 222.292 0.523 40 0 BCABRP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(C[NH3+])c1 ZINC000001669209 534962545 /nfs/dbraw/zinc/96/25/45/534962545.db2.gz DNFUQKCUXOHAIO-UHFFFAOYSA-N 3 0 246.318 0.331 40 0 BCABRP CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1C[C@H]([NH3+])C1 ZINC000602985743 351866228 /nfs/dbraw/zinc/86/62/28/351866228.db2.gz OGHGAJBVNRZRIL-FXQIFTODSA-N 2 0 200.282 0.393 40 0 BCABRP C([NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000107746061 187805660 /nfs/dbraw/zinc/80/56/60/187805660.db2.gz AUNMBJUSUHAODD-WYUUTHIRSA-N 2 0 210.321 0.611 40 0 BCABRP CC(C)[N@H+](C)CC1CCN(C(=O)C[NH3+])CC1 ZINC000037826014 188114438 /nfs/dbraw/zinc/11/44/38/188114438.db2.gz RRAQFUBUEULZDO-UHFFFAOYSA-N 2 0 227.352 0.524 40 0 BCABRP [NH3+]CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404061 181352439 /nfs/dbraw/zinc/35/24/39/181352439.db2.gz WNNQTIVNLONIOQ-ZDUSSCGKSA-N 2 0 247.342 0.583 40 0 BCABRP O[C@@H]1Cn2cc3cccc[n+]3c2-c2cccc[n+]21 ZINC000001564236 183212164 /nfs/dbraw/zinc/21/21/64/183212164.db2.gz CIUUGIHAMCSTPA-CYBMUJFWSA-N 2 0 239.278 0.686 40 0 BCABRP C[NH+](C)C[C@@H]1CC(=O)[C@H](C[NH+](C)C)CC1=O ZINC000001717768 383928428 /nfs/dbraw/zinc/92/84/28/383928428.db2.gz QINBNIQHVSHFQT-UWVGGRQHSA-N 2 0 226.320 0.274 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@H+](C)C1 ZINC000079407392 384138025 /nfs/dbraw/zinc/13/80/25/384138025.db2.gz HNGGYBXVWVGZEZ-ONGXEEELSA-N 2 0 225.336 0.419 40 0 BCABRP CC(C)N(C(=O)C[NH3+])C1CC[NH+](C)CC1 ZINC000079406963 384135135 /nfs/dbraw/zinc/13/51/35/384135135.db2.gz GEKLNKCNCHNAEV-UHFFFAOYSA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000079407712 384138053 /nfs/dbraw/zinc/13/80/53/384138053.db2.gz RXWBCVMMDVDYHM-RYUDHWBXSA-N 2 0 239.363 0.665 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000079407406 384136320 /nfs/dbraw/zinc/13/63/20/384136320.db2.gz APHGHWHMMIIRFT-JQWIXIFHSA-N 2 0 239.363 0.809 40 0 BCABRP CN(C(=O)C[NH3+])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079406845 384137251 /nfs/dbraw/zinc/13/72/51/384137251.db2.gz SINGDZPSPZDUAI-NXEZZACHSA-N 2 0 213.325 0.276 40 0 BCABRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079430285 384146456 /nfs/dbraw/zinc/14/64/56/384146456.db2.gz UWTSFSVFUHAGDV-SNVBAGLBSA-N 2 0 225.336 0.278 40 0 BCABRP C[N@H+](C1CC1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079424917 384146791 /nfs/dbraw/zinc/14/67/91/384146791.db2.gz MFQHRYMVJCKSMU-UHFFFAOYSA-N 2 0 211.309 0.030 40 0 BCABRP C[N@H+](C1CC1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424915 384147075 /nfs/dbraw/zinc/14/70/75/384147075.db2.gz ZPWYMGSPVKIPII-JTQLQIEISA-N 2 0 211.309 0.030 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](C)C2CC2)C1 ZINC000079419519 384142721 /nfs/dbraw/zinc/14/27/21/384142721.db2.gz JDSDHTLGADSAJV-QWRGUYRKSA-N 2 0 239.363 0.666 40 0 BCABRP CC(C)[N@H+](C)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000079419437 384143491 /nfs/dbraw/zinc/14/34/91/384143491.db2.gz OAIFAQNNYBJBII-JTQLQIEISA-N 2 0 227.352 0.665 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419477 384144343 /nfs/dbraw/zinc/14/43/43/384144343.db2.gz VROROZNMFSWNNI-GXSJLCMTSA-N 2 0 225.336 0.419 40 0 BCABRP CC(C)[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079419429 384144704 /nfs/dbraw/zinc/14/47/04/384144704.db2.gz LKGRNPNOGXRISI-QWRGUYRKSA-N 2 0 227.352 0.665 40 0 BCABRP CC(C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419318 384145126 /nfs/dbraw/zinc/14/51/26/384145126.db2.gz KDGSTDXFAATHGU-JTQLQIEISA-N 2 0 213.325 0.276 40 0 BCABRP C[NH+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC000074707304 384301152 /nfs/dbraw/zinc/30/11/52/384301152.db2.gz RPBPEMNUKIQCTE-UHFFFAOYSA-N 2 0 227.352 0.396 40 0 BCABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000079407364 384492546 /nfs/dbraw/zinc/49/25/46/384492546.db2.gz SXNOEKHZFPPOTM-WCBMZHEXSA-N 2 0 211.309 0.029 40 0 BCABRP CC[C@](C)([C@H](C[NH3+])CO)[NH+]1CCCC1 ZINC000072210369 385068491 /nfs/dbraw/zinc/06/84/91/385068491.db2.gz SZJRGUUIIMJKGW-GHMZBOCLSA-N 2 0 200.326 0.818 40 0 BCABRP [NH3+]C[C@H](CO)C1([NH+]2CCOCC2)CCCCC1 ZINC000072210381 385068955 /nfs/dbraw/zinc/06/89/55/385068955.db2.gz MTVARHKADDGMTF-GFCCVEGCSA-N 2 0 242.363 0.589 40 0 BCABRP Cc1cc([C@H](C)[NH3+])cnc1N1CC[NH2+]CC1 ZINC000072222540 385110573 /nfs/dbraw/zinc/11/05/73/385110573.db2.gz MTJBKVKFMOPOHU-JTQLQIEISA-N 2 0 220.320 0.819 40 0 BCABRP CC(C)[C@@H]([NH3+])CCN1CCC[N@H+](C)CC1 ZINC000096523795 385268677 /nfs/dbraw/zinc/26/86/77/385268677.db2.gz WVWCPSJSOSQZFK-LBPRGKRZSA-N 2 0 213.369 0.997 40 0 BCABRP C[NH+](C)[C@H]1CCN(c2cc[nH+]cc2N)C1 ZINC000062965558 385732898 /nfs/dbraw/zinc/73/28/98/385732898.db2.gz PVSPSMOIRSMDFT-VIFPVBQESA-N 2 0 206.293 0.804 40 0 BCABRP [NH3+]C[C@@H](c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000041242607 387796369 /nfs/dbraw/zinc/79/63/69/387796369.db2.gz SQEAQAJNJMSZKT-LBPRGKRZSA-N 2 0 223.295 0.731 40 0 BCABRP C[NH+](C)CCOCCOCCOCC[NH+](C)C ZINC000003098853 388364069 /nfs/dbraw/zinc/36/40/69/388364069.db2.gz OPEBGHRXBWYDKG-UHFFFAOYSA-N 2 0 248.367 0.159 40 0 BCABRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000242473206 388764117 /nfs/dbraw/zinc/76/41/17/388764117.db2.gz FBQHJGVAFGAVDZ-LBPRGKRZSA-N 2 0 241.379 0.929 40 0 BCABRP C[NH+]1CCC(N2CC[NH2+][C@H]3CCC[C@@H]32)CC1 ZINC000225717380 388841579 /nfs/dbraw/zinc/84/15/79/388841579.db2.gz XANNMPQJDUHBRQ-STQMWFEESA-N 2 0 223.364 0.907 40 0 BCABRP CC[NH+]1CCN(C[C@H]([NH3+])CCSC)CC1 ZINC000096523853 169993432 /nfs/dbraw/zinc/99/34/32/169993432.db2.gz IRXYRJDFAWHKHL-LLVKDONJSA-N 2 0 231.409 0.704 40 0 BCABRP CC[C@H](C)[C@@H]([NH3+])CN1CC[NH+](CC)CC1 ZINC000020073837 171372565 /nfs/dbraw/zinc/37/25/65/171372565.db2.gz ACCFMNPKQCCVEF-RYUDHWBXSA-N 2 0 213.369 0.997 40 0 BCABRP C[NH+]1CCC2(CC1)N[C@H]1CC[N@H+](C)C[C@@H]1S2 ZINC000031771903 173002968 /nfs/dbraw/zinc/00/29/68/173002968.db2.gz WUJYVICVAOOGLA-QWRGUYRKSA-N 2 0 241.404 0.817 40 0 BCABRP C[N@@H+]1CC[C@H](c2nnc(CCC[NH3+])o2)C1 ZINC000095828870 173158896 /nfs/dbraw/zinc/15/88/96/173158896.db2.gz GUFDQPOXHREQJA-QMMMGPOBSA-N 2 0 210.281 0.380 40 0 BCABRP C[N@H+](C1CC1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000248045095 522408959 /nfs/dbraw/zinc/40/89/59/522408959.db2.gz MBGOCQJKVLQHJV-MGCOHNPYSA-N 2 0 225.336 0.467 40 0 BCABRP COc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1 ZINC000001842830 536666192 /nfs/dbraw/zinc/66/61/92/536666192.db2.gz KLCSZLKQTXQCTD-UHFFFAOYSA-N 2 0 247.302 0.881 40 0 BCABRP Cc1nc(N2CC[NH2+]CC2)ccc1C[NH3+] ZINC000072224616 259321739 /nfs/dbraw/zinc/32/17/39/259321739.db2.gz NZZAZAQVLIXJHA-UHFFFAOYSA-N 2 0 206.293 0.258 40 0 BCABRP C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224659 259321873 /nfs/dbraw/zinc/32/18/73/259321873.db2.gz XPQBMQJHTWGPRT-UHFFFAOYSA-N 2 0 234.347 0.861 40 0 BCABRP C[N@@H+]1CC[C@H](O)[C@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000242522417 259326153 /nfs/dbraw/zinc/32/61/53/259326153.db2.gz ISBDAGONLADELG-WOPDTQHZSA-N 2 0 212.337 0.831 40 0 BCABRP CCN(CC)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000019843233 342959585 /nfs/dbraw/zinc/95/95/85/342959585.db2.gz STBWBWGOJWTWFH-UHFFFAOYSA-N 2 0 227.352 0.526 40 0 BCABRP CCCCN(C)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000260469025 343131731 /nfs/dbraw/zinc/13/17/31/343131731.db2.gz JIVZJWPFYWGYOZ-UHFFFAOYSA-N 2 0 241.379 0.916 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484888 343310454 /nfs/dbraw/zinc/31/04/54/343310454.db2.gz YQYUNIJMUFIMHF-UWVGGRQHSA-N 2 0 213.325 0.038 40 0 BCABRP CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019408424 343773797 /nfs/dbraw/zinc/77/37/97/343773797.db2.gz XPJIZEUYWMHBTF-LLVKDONJSA-N 2 0 239.363 0.539 40 0 BCABRP C(C1CC1)[N@@H+]1CCOC[C@H]2C[NH2+]CC[C@@H]21 ZINC000409422209 343812809 /nfs/dbraw/zinc/81/28/09/343812809.db2.gz BXMFUKKNXYSGGE-NEPJUHHUSA-N 2 0 210.321 0.707 40 0 BCABRP COC[C@@]1(C(F)(F)F)CCN(CC[NH3+])C1 ZINC000409432000 343824728 /nfs/dbraw/zinc/82/47/28/343824728.db2.gz KLDYCNUBQDRTPO-MRVPVSSYSA-N 2 0 226.242 0.846 40 0 BCABRP Cn1ccc([C@@H]2CCC[N@H+](CCC[NH3+])C2)n1 ZINC000409430220 343807786 /nfs/dbraw/zinc/80/77/86/343807786.db2.gz QCIXHYQSGDANLA-LLVKDONJSA-N 2 0 222.336 0.948 40 0 BCABRP CCC[C@H]1C[N@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435090 343836020 /nfs/dbraw/zinc/83/60/20/343836020.db2.gz SHABCNHOKJBKPS-QWRGUYRKSA-N 2 0 200.326 0.818 40 0 BCABRP CCC[C@H]1C[N@H+](CCC[NH3+])CC[C@H]1O ZINC000409435091 343836307 /nfs/dbraw/zinc/83/63/07/343836307.db2.gz SHABCNHOKJBKPS-WDEREUQCSA-N 2 0 200.326 0.818 40 0 BCABRP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000140586252 345696671 /nfs/dbraw/zinc/69/66/71/345696671.db2.gz SAHSDNAJOZLPGR-NSHDSACASA-N 2 0 237.347 0.293 40 0 BCABRP [NH3+]CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000257755931 345781433 /nfs/dbraw/zinc/78/14/33/345781433.db2.gz OPHSDHJPLZZHIU-JTQLQIEISA-N 2 0 215.366 0.068 40 0 BCABRP CNc1cc(NCC[NH+](C)C)nc(C)[nH+]1 ZINC000087807378 345941952 /nfs/dbraw/zinc/94/19/52/345941952.db2.gz AYKIOTAUFUXWNM-UHFFFAOYSA-N 2 0 209.297 0.800 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000079419556 188118007 /nfs/dbraw/zinc/11/80/07/188118007.db2.gz VMSUZKNSTJAMPL-RYUDHWBXSA-N 2 0 241.379 0.912 40 0 BCABRP Cc1cc(N2CC[NH2+]CC2)nc(N(C)C)[nH+]1 ZINC000084495433 359809567 /nfs/dbraw/zinc/80/95/67/359809567.db2.gz YDMGAIBUWWPBSS-UHFFFAOYSA-N 2 0 221.308 0.261 40 0 BCABRP [NH3+]CC1(C[NH3+])C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217976795 181359018 /nfs/dbraw/zinc/35/90/18/181359018.db2.gz XCFDOUZWKJUFBR-SNVBAGLBSA-N 2 0 240.328 0.136 40 0 BCABRP [NH3+]CC1CC[NH+](Cc2cnccn2)CC1 ZINC000044513818 181364734 /nfs/dbraw/zinc/36/47/34/181364734.db2.gz VJMQDFCYFOHAIT-UHFFFAOYSA-N 2 0 206.293 0.647 40 0 BCABRP [NH3+]CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826923 181367027 /nfs/dbraw/zinc/36/70/27/181367027.db2.gz PDKYIDBZIUWNNJ-UHFFFAOYSA-N 2 0 239.363 0.812 40 0 BCABRP [NH3+]CCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000072207558 181391744 /nfs/dbraw/zinc/39/17/44/181391744.db2.gz OCVZWBIFDIRHNT-GFCCVEGCSA-N 2 0 211.353 0.895 40 0 BCABRP [NH3+]CCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000011919735 181380875 /nfs/dbraw/zinc/38/08/75/181380875.db2.gz QKNHBHAWXBIPFZ-NEPJUHHUSA-N 2 0 247.342 0.616 40 0 BCABRP CC[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000019852550 371194421 /nfs/dbraw/zinc/19/44/21/371194421.db2.gz JVDZCBVHFVLYCR-LBPRGKRZSA-N 2 0 213.369 0.997 40 0 BCABRP O[C@H](CN1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000064875806 183175225 /nfs/dbraw/zinc/17/52/25/183175225.db2.gz PQCVEGRSXSHUMO-ZDUSSCGKSA-N 2 0 241.379 0.129 40 0 BCABRP O[C@@H](CN1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000064875808 183220544 /nfs/dbraw/zinc/22/05/44/183220544.db2.gz PQCVEGRSXSHUMO-CYBMUJFWSA-N 2 0 241.379 0.129 40 0 BCABRP C[n+]1ccccc1[C@@H](O)[C@H](O)c1cccc[n+]1C ZINC000001746926 383934113 /nfs/dbraw/zinc/93/41/13/383934113.db2.gz XOTOPKFNRCMGTD-ZIAGYGMSSA-N 2 0 246.310 0.103 40 0 BCABRP C[NH+](C)C1CCC(N(C(=O)C[NH3+])C2CC2)CC1 ZINC000079407072 384135300 /nfs/dbraw/zinc/13/53/00/384135300.db2.gz SGMTZQZAGCMSLI-UHFFFAOYSA-N 2 0 239.363 0.809 40 0 BCABRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415157 384136535 /nfs/dbraw/zinc/13/65/35/384136535.db2.gz MRKSBRCQDFPUEY-ZDUSSCGKSA-N 2 0 247.342 0.678 40 0 BCABRP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407113 384137300 /nfs/dbraw/zinc/13/73/00/384137300.db2.gz WBVLEMOBQLWAOK-GUBZILKMSA-N 2 0 213.325 0.323 40 0 BCABRP CCN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407569 384137382 /nfs/dbraw/zinc/13/73/82/384137382.db2.gz MJBKSWLKZOCHTK-NEPJUHHUSA-N 2 0 241.379 0.912 40 0 BCABRP CC[N@H+](CCO)C[C@H]1CCC[NH+](C)C1 ZINC000079405975 384137442 /nfs/dbraw/zinc/13/74/42/384137442.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 2 0 200.326 0.642 40 0 BCABRP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079419325 384142673 /nfs/dbraw/zinc/14/26/73/384142673.db2.gz YPFKVPFHGAPQJY-NSHDSACASA-N 2 0 227.352 0.666 40 0 BCABRP C[N@H+](C[C@@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079419359 384142928 /nfs/dbraw/zinc/14/29/28/384142928.db2.gz HUKSUYKXKDHYBA-JTQLQIEISA-N 2 0 211.309 0.030 40 0 BCABRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000079419403 384142962 /nfs/dbraw/zinc/14/29/62/384142962.db2.gz LJBQNZXSPGCRRL-UWVGGRQHSA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079419315 384144908 /nfs/dbraw/zinc/14/49/08/384144908.db2.gz KDGSTDXFAATHGU-SNVBAGLBSA-N 2 0 213.325 0.276 40 0 BCABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000079419564 384145469 /nfs/dbraw/zinc/14/54/69/384145469.db2.gz FHTGPUYNVHQKRN-RYUDHWBXSA-N 2 0 241.379 0.770 40 0 BCABRP CC(C)[N@H+](C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178287 384282711 /nfs/dbraw/zinc/28/27/11/384282711.db2.gz QURGNXSTQKULGJ-PHIMTYICSA-N 2 0 227.352 0.713 40 0 BCABRP C[NH+](C)C[C@H]1CCC[C@H](C[NH+](C)C)C1O ZINC000001670759 384430969 /nfs/dbraw/zinc/43/09/69/384430969.db2.gz NWOOXUIGWYJUKB-GHMZBOCLSA-N 2 0 214.353 0.887 40 0 BCABRP NC(=O)C1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000019686357 384532235 /nfs/dbraw/zinc/53/22/35/384532235.db2.gz FERFMNWEGJKJEX-UHFFFAOYSA-N 2 0 247.342 0.843 40 0 BCABRP C[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000083960772 384757297 /nfs/dbraw/zinc/75/72/97/384757297.db2.gz BKUDWXFQFBYCNE-UHFFFAOYSA-N 2 0 239.363 0.683 40 0 BCABRP [NH3+]C[C@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000107745753 384997913 /nfs/dbraw/zinc/99/79/13/384997913.db2.gz WDHCBXZNVPBORX-ZSBIGDGJSA-N 2 0 203.289 0.718 40 0 BCABRP C([C@H]1CCCO1)[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531574 385282076 /nfs/dbraw/zinc/28/20/76/385282076.db2.gz NOZCQDCYRYNLRI-GFCCVEGCSA-N 2 0 240.347 0.620 40 0 BCABRP CCCC[N@H+](C)C[C@H](O)C[NH2+]C1CC1 ZINC000036950511 385591375 /nfs/dbraw/zinc/59/13/75/385591375.db2.gz AKPFGQOYJACEGZ-LLVKDONJSA-N 2 0 200.326 0.831 40 0 BCABRP CCCC[N@H+](C)C[C@@H](O)C[NH2+]C1CC1 ZINC000036950512 385592274 /nfs/dbraw/zinc/59/22/74/385592274.db2.gz AKPFGQOYJACEGZ-NSHDSACASA-N 2 0 200.326 0.831 40 0 BCABRP C[C@H]1CCC[N@H+](C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950366 385825569 /nfs/dbraw/zinc/82/55/69/385825569.db2.gz ZZJQCKLQXIFZES-CMPLNLGQSA-N 2 0 212.337 0.831 40 0 BCABRP c1nc2n(c1C[NH+]1CCCC1)CC[NH2+]CC2 ZINC000306140652 385991678 /nfs/dbraw/zinc/99/16/78/385991678.db2.gz UZQXGKNBAIGJAT-UHFFFAOYSA-N 2 0 220.320 0.625 40 0 BCABRP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccncc2)C1 ZINC000242463780 388742452 /nfs/dbraw/zinc/74/24/52/388742452.db2.gz DLDOHIRLUOCARN-NWDGAFQWSA-N 2 0 205.305 0.903 40 0 BCABRP C[NH+]1CCC(N[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000225720419 388843068 /nfs/dbraw/zinc/84/30/68/388843068.db2.gz RCWJXZXIEZZDJZ-RYUDHWBXSA-N 2 0 211.353 0.940 40 0 BCABRP C[NH+]1CCN(c2cc(C[NH3+])ccc2O)CC1 ZINC000089212467 132311320 /nfs/dbraw/zinc/31/13/20/132311320.db2.gz CYPZCHKPNLZHMF-UHFFFAOYSA-N 2 0 221.304 0.603 40 0 BCABRP CC[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000019763631 132326988 /nfs/dbraw/zinc/32/69/88/132326988.db2.gz OAGRNXJDBHSOFO-UHFFFAOYSA-N 2 0 206.293 0.806 40 0 BCABRP [NH3+]CCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000037039540 132343482 /nfs/dbraw/zinc/34/34/82/132343482.db2.gz BXEPDVCFYSDDEQ-UHFFFAOYSA-N 2 0 249.362 0.728 40 0 BCABRP Cn1cc[nH+]c1N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306126901 135368889 /nfs/dbraw/zinc/36/88/89/135368889.db2.gz FIKNSLVFMNFIIH-JTQLQIEISA-N 2 0 236.319 0.743 40 0 BCABRP [NH3+]CCCN1CCC([NH+]2CCCC2)CC1 ZINC000107213598 322862242 /nfs/dbraw/zinc/86/22/42/322862242.db2.gz BISWLDJALXWRQT-UHFFFAOYSA-N 2 0 211.353 0.895 40 0 BCABRP CN(C(=O)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404135 172307751 /nfs/dbraw/zinc/30/77/51/172307751.db2.gz XVLIVSKTCGLTFP-ZDUSSCGKSA-N 2 0 247.342 0.678 40 0 BCABRP C[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCO)CC1 ZINC000100178182 172529456 /nfs/dbraw/zinc/52/94/56/172529456.db2.gz JRXKYDDXBODBBC-PHIMTYICSA-N 2 0 200.326 0.783 40 0 BCABRP C[N@@H+]1CCC[C@H](c2nnc3n2CC[NH+](C)CC3)C1 ZINC000072352745 173173949 /nfs/dbraw/zinc/17/39/49/173173949.db2.gz FJMYXAHEWDAZNE-NSHDSACASA-N 2 0 249.362 0.575 40 0 BCABRP C[NH2+]CCN(CCOC)C1CC[NH+](C)CC1 ZINC000096523942 173354788 /nfs/dbraw/zinc/35/47/88/173354788.db2.gz BHHQXJAWBAJGJH-UHFFFAOYSA-N 2 0 229.368 0.248 40 0 BCABRP COCCN(CCC[NH3+])C1CC[NH+](C)CC1 ZINC000096523782 174290358 /nfs/dbraw/zinc/29/03/58/174290358.db2.gz FLFUDOFFRQJNPN-UHFFFAOYSA-N 3 0 229.368 0.378 40 0 BCABRP C[C@@H]1C[C@@H](NCC[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000102759958 177239614 /nfs/dbraw/zinc/23/96/14/177239614.db2.gz KXVDQAXQVMYJPY-QJPTWQEYSA-N 2 0 213.369 0.866 40 0 BCABRP