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-3.484 40 0 in-vitro HAABRL CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000015721454 558749633 /nfs/dbraw/zinc/74/96/33/558749633.db2.gz UNOPRHLQSPTPBF-RVBZMBCESA-N -2 0 418.403 -2.520 40 0 HAABRL O=C([O-])CN1C(=O)c2cc3c(cc2S1(=O)=O)S(=O)(=O)N(CC(=O)[O-])C3=O ZINC000016383610 558789027 /nfs/dbraw/zinc/78/90/27/558789027.db2.gz NSWHGJVEBFFGAV-UHFFFAOYSA-N -2 0 404.334 -1.855 40 0 HAABRL O=c1cnn([C@@H]2O[C@@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[n-]1 ZINC000017313775 558826860 /nfs/dbraw/zinc/82/68/60/558826860.db2.gz KVJXZDYOBONHQV-UISOVIGQSA-N -4 0 405.149 -3.223 40 0 in-vitro HAABRL O=S(=O)([O-])CN(CCN1CCN(CS(=O)(=O)[O-])CC1)CS(=O)(=O)[O-] ZINC000022581323 558499989 /nfs/dbraw/zinc/49/99/89/558499989.db2.gz GYLJPFNTGVYNNM-UHFFFAOYSA-N -3 0 411.480 -2.558 40 0 HAABRL O=C([O-])CC[C@@H](NC(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-] ZINC000022942269 558527631 /nfs/dbraw/zinc/52/76/31/558527631.db2.gz 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ZINC000095921502 559088974 /nfs/dbraw/zinc/08/89/74/559088974.db2.gz SWLBCCDTGFJBKD-QZABAPFNSA-N -2 0 419.364 -3.774 40 0 HAABRL [NH3+][C@@H]1[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC000095921503 559088988 /nfs/dbraw/zinc/08/89/88/559088988.db2.gz SWLBCCDTGFJBKD-UKFBFLRUSA-N -2 0 419.364 -3.774 40 0 HAABRL Nc1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1 ZINC000096030950 1072788166 /nfs/dbraw/zinc/78/81/66/1072788166.db2.gz RQKDGRDHJHINET-KVTDHHQDSA-N -3 0 404.165 -2.934 40 0 HAABRL O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H]1O ZINC000100015956 559128589 /nfs/dbraw/zinc/12/85/89/559128589.db2.gz RURWIJNHQMXJDV-GNIYUCBRSA-N -6 0 420.093 -3.484 40 0 in-vitro HAABRL O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H]1O ZINC000100015959 559128617 /nfs/dbraw/zinc/12/86/17/559128617.db2.gz RURWIJNHQMXJDV-ITGDANNXSA-N -6 0 420.093 -3.484 40 0 in-vitro HAABRL O=P([O-])([O-])O[C@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@@H]1O ZINC000100590871 559239244 /nfs/dbraw/zinc/23/92/44/559239244.db2.gz RURWIJNHQMXJDV-GBKPYZKPSA-N -6 0 420.093 -3.484 40 0 in-vitro HAABRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575425759 569026960 /nfs/dbraw/zinc/02/69/60/569026960.db2.gz INPLCRMFTLXDOQ-GHMZBOCLSA-N -2 0 407.422 -1.074 40 0 HAABRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575425760 569026987 /nfs/dbraw/zinc/02/69/87/569026987.db2.gz INPLCRMFTLXDOQ-MNOVXSKESA-N -2 0 407.422 -1.074 40 0 HAABRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575425761 569026990 /nfs/dbraw/zinc/02/69/90/569026990.db2.gz INPLCRMFTLXDOQ-QWRGUYRKSA-N -2 0 407.422 -1.074 40 0 HAABRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575425762 569026999 /nfs/dbraw/zinc/02/69/99/569026999.db2.gz INPLCRMFTLXDOQ-WDEREUQCSA-N -2 0 407.422 -1.074 40 0 HAABRL Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)n1 ZINC000584577031 569048635 /nfs/dbraw/zinc/04/86/35/569048635.db2.gz ZWIADYZPOWUWEW-YDLFOAGRSA-N -3 0 403.177 -2.086 40 0 HAABRL C[C@@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O2)C(=O)NC1=O ZINC000584578739 569048706 /nfs/dbraw/zinc/04/87/06/569048706.db2.gz SIKVLMWAORJMQJ-NGJRWZKOSA-N -3 0 404.205 -1.124 40 0 HAABRL C[C@H]1CN([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O2)C(=O)NC1=O ZINC000584578740 569048692 /nfs/dbraw/zinc/04/86/92/569048692.db2.gz SIKVLMWAORJMQJ-YWIQKCBGSA-N -3 0 404.205 -1.124 40 0 HAABRL