smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892598 921743307 /nfs/dbraw/zinc/74/33/07/921743307.db2.gz UDXOMQPYKXMHKY-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892598 921743321 /nfs/dbraw/zinc/74/33/21/921743321.db2.gz UDXOMQPYKXMHKY-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376937297 921748413 /nfs/dbraw/zinc/74/84/13/921748413.db2.gz HASZIAOXBJWZJH-NSHDSACASA-N 2 2 322.369 -1.094 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090623757 916110816 /nfs/dbraw/zinc/11/08/16/916110816.db2.gz JRGNPLFOBJGSJV-QWHCGFSZSA-N 2 2 312.414 -1.245 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090623757 916110824 /nfs/dbraw/zinc/11/08/24/916110824.db2.gz JRGNPLFOBJGSJV-QWHCGFSZSA-N 2 2 312.414 -1.245 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090623761 916111367 /nfs/dbraw/zinc/11/13/67/916111367.db2.gz JRGNPLFOBJGSJV-STQMWFEESA-N 2 2 312.414 -1.245 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090623761 916111381 /nfs/dbraw/zinc/11/13/81/916111381.db2.gz JRGNPLFOBJGSJV-STQMWFEESA-N 2 2 312.414 -1.245 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCN1C(=O)CNC1=O ZINC001317284782 916281912 /nfs/dbraw/zinc/28/19/12/916281912.db2.gz XSDBXCYDBNQUPD-JTQLQIEISA-N 2 2 322.369 -1.391 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCN1C(=O)CNC1=O ZINC001317284784 916283102 /nfs/dbraw/zinc/28/31/02/916283102.db2.gz XSDBXCYDBNQUPD-SNVBAGLBSA-N 2 2 322.369 -1.391 20 0 DAADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319439994 916437196 /nfs/dbraw/zinc/43/71/96/916437196.db2.gz QYSOQOXABLHFSC-NWDGAFQWSA-N 2 2 321.443 -1.202 20 0 DAADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319439994 916437207 /nfs/dbraw/zinc/43/72/07/916437207.db2.gz QYSOQOXABLHFSC-NWDGAFQWSA-N 2 2 321.443 -1.202 20 0 DAADLP NC(=O)[C@H]1C[NH+](CCCC[N@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC001319829674 916453190 /nfs/dbraw/zinc/45/31/90/916453190.db2.gz BLISOVFVKJFYPZ-TXEJJXNPSA-N 2 2 314.386 -1.861 20 0 DAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001325388527 916843801 /nfs/dbraw/zinc/84/38/01/916843801.db2.gz VJFMCAKOTNTCKT-GFCCVEGCSA-N 2 2 308.386 -1.639 20 0 DAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001325388527 916843815 /nfs/dbraw/zinc/84/38/15/916843815.db2.gz VJFMCAKOTNTCKT-GFCCVEGCSA-N 2 2 308.386 -1.639 20 0 DAADLP COCCOCC[NH+]1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001327324347 917004228 /nfs/dbraw/zinc/00/42/28/917004228.db2.gz WGCHXVBITBFSAO-UHFFFAOYSA-N 2 2 314.430 -1.301 20 0 DAADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001328400604 917085832 /nfs/dbraw/zinc/08/58/32/917085832.db2.gz IXUXKZIJYMMRLM-HUUCEWRRSA-N 3 2 300.447 -1.359 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001328983558 917127707 /nfs/dbraw/zinc/12/77/07/917127707.db2.gz ZCSKVWBAJKXPGB-NSHDSACASA-N 2 2 309.370 -1.334 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCNS(C)(=O)=O ZINC001331566533 917301334 /nfs/dbraw/zinc/30/13/34/917301334.db2.gz VNIKZSBDEXDEGL-SNVBAGLBSA-N 2 2 317.415 -1.062 20 0 DAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331752967 917330920 /nfs/dbraw/zinc/33/09/20/917330920.db2.gz IFAJSFBDGBLTLT-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)Cn1cc[nH+]c1 ZINC001332615347 917393400 /nfs/dbraw/zinc/39/34/00/917393400.db2.gz AFYVYNCJDRAISW-GHMZBOCLSA-N 2 2 323.353 -1.903 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC001333429085 917441056 /nfs/dbraw/zinc/44/10/56/917441056.db2.gz NQJZGTHUHFCSEX-OBMMGQTPSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC001333429085 917441078 /nfs/dbraw/zinc/44/10/78/917441078.db2.gz NQJZGTHUHFCSEX-OBMMGQTPSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C)C[C@@H]2CO)[C@H](CO)C1 ZINC001333429087 917441706 /nfs/dbraw/zinc/44/17/06/917441706.db2.gz NQJZGTHUHFCSEX-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@H+](C)C[C@@H]2CO)[C@H](CO)C1 ZINC001333429087 917441715 /nfs/dbraw/zinc/44/17/15/917441715.db2.gz NQJZGTHUHFCSEX-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@H+](C)C[C@H]2CO)[C@@H](CO)C1 ZINC001333429087 917441723 /nfs/dbraw/zinc/44/17/23/917441723.db2.gz NQJZGTHUHFCSEX-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C)C[C@H]2CO)[C@@H](CO)C1 ZINC001333429087 917441732 /nfs/dbraw/zinc/44/17/32/917441732.db2.gz NQJZGTHUHFCSEX-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001333429582 917441875 /nfs/dbraw/zinc/44/18/75/917441875.db2.gz BQGNBTZOESHAQC-CYBMUJFWSA-N 2 2 323.441 -1.297 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001338886841 917708833 /nfs/dbraw/zinc/70/88/33/917708833.db2.gz ITXHJGOKPVBCOE-ZIAGYGMSSA-N 2 2 312.462 -1.223 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001338886841 917708841 /nfs/dbraw/zinc/70/88/41/917708841.db2.gz ITXHJGOKPVBCOE-ZIAGYGMSSA-N 2 2 312.462 -1.223 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001341321164 917754928 /nfs/dbraw/zinc/75/49/28/917754928.db2.gz STEQZVZRYWFVFE-CQSZACIVSA-N 2 2 314.430 -1.303 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001346422255 917888005 /nfs/dbraw/zinc/88/80/05/917888005.db2.gz BYSHQUUOSNCWPC-LLVKDONJSA-N 2 2 314.386 -1.401 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001346422255 917888014 /nfs/dbraw/zinc/88/80/14/917888014.db2.gz BYSHQUUOSNCWPC-LLVKDONJSA-N 2 2 314.386 -1.401 20 0 DAADLP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793465 918407527 /nfs/dbraw/zinc/40/75/27/918407527.db2.gz JBZAIHHVCUERMU-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793465 918407539 /nfs/dbraw/zinc/40/75/39/918407539.db2.gz JBZAIHHVCUERMU-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793465 918407544 /nfs/dbraw/zinc/40/75/44/918407544.db2.gz JBZAIHHVCUERMU-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793465 918407551 /nfs/dbraw/zinc/40/75/51/918407551.db2.gz JBZAIHHVCUERMU-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001365988894 919264897 /nfs/dbraw/zinc/26/48/97/919264897.db2.gz TWFSVQHKUHLUEL-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001365988894 919264915 /nfs/dbraw/zinc/26/49/15/919264915.db2.gz TWFSVQHKUHLUEL-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366000556 919269041 /nfs/dbraw/zinc/26/90/41/919269041.db2.gz TXWLDOFOIRPQKH-PWSUYJOCSA-N 2 2 313.402 -1.042 20 0 DAADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366000556 919269051 /nfs/dbraw/zinc/26/90/51/919269051.db2.gz TXWLDOFOIRPQKH-PWSUYJOCSA-N 2 2 313.402 -1.042 20 0 DAADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366000558 919269434 /nfs/dbraw/zinc/26/94/34/919269434.db2.gz TXWLDOFOIRPQKH-ZYHUDNBSSA-N 2 2 313.402 -1.042 20 0 DAADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366000558 919269451 /nfs/dbraw/zinc/26/94/51/919269451.db2.gz TXWLDOFOIRPQKH-ZYHUDNBSSA-N 2 2 313.402 -1.042 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001366346112 919311579 /nfs/dbraw/zinc/31/15/79/919311579.db2.gz OHNAMJLOLBYXLM-NXEZZACHSA-N 2 2 324.385 -1.099 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001366346113 919314901 /nfs/dbraw/zinc/31/49/01/919314901.db2.gz OHNAMJLOLBYXLM-UWVGGRQHSA-N 2 2 324.385 -1.099 20 0 DAADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001366384970 919319394 /nfs/dbraw/zinc/31/93/94/919319394.db2.gz IOVDOPWPCFJXTH-BDAKNGLRSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001366495055 919334323 /nfs/dbraw/zinc/33/43/23/919334323.db2.gz GUAGFJUBIJBPKN-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)nc1=O ZINC001366530475 919337856 /nfs/dbraw/zinc/33/78/56/919337856.db2.gz TWFASJUSJJJSPW-LBPRGKRZSA-N 2 2 322.413 -1.002 20 0 DAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)nc1=O ZINC001366530475 919337870 /nfs/dbraw/zinc/33/78/70/919337870.db2.gz TWFASJUSJJJSPW-LBPRGKRZSA-N 2 2 322.413 -1.002 20 0 DAADLP COC[C@H](O)C[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366937536 919403558 /nfs/dbraw/zinc/40/35/58/919403558.db2.gz BYQFHUSOKMHQET-CYBMUJFWSA-N 2 2 315.414 -1.095 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001366959614 919411462 /nfs/dbraw/zinc/41/14/62/919411462.db2.gz FCUFQSHRUJEHFD-CQSZACIVSA-N 2 2 324.425 -1.109 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001366959614 919411466 /nfs/dbraw/zinc/41/14/66/919411466.db2.gz FCUFQSHRUJEHFD-CQSZACIVSA-N 2 2 324.425 -1.109 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001367307788 919453986 /nfs/dbraw/zinc/45/39/86/919453986.db2.gz JRBGHTDABDVXRD-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001367307788 919453991 /nfs/dbraw/zinc/45/39/91/919453991.db2.gz JRBGHTDABDVXRD-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001367624425 919535487 /nfs/dbraw/zinc/53/54/87/919535487.db2.gz AMSPEOYPXAVKFJ-GFCCVEGCSA-N 2 2 309.370 -1.429 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001367629607 919544555 /nfs/dbraw/zinc/54/45/55/919544555.db2.gz NYUZYINCHBEMAP-CMPLNLGQSA-N 2 2 309.370 -1.383 20 0 DAADLP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)cc1=O ZINC001367631345 919547394 /nfs/dbraw/zinc/54/73/94/919547394.db2.gz XEOWTRRDVPNSQW-CYBMUJFWSA-N 2 2 319.365 -1.151 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)C1 ZINC001368043718 919609671 /nfs/dbraw/zinc/60/96/71/919609671.db2.gz BRAAEFZWTKWMIE-LLVKDONJSA-N 2 2 323.401 -1.331 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)C1 ZINC001368043718 919609686 /nfs/dbraw/zinc/60/96/86/919609686.db2.gz BRAAEFZWTKWMIE-LLVKDONJSA-N 2 2 323.401 -1.331 20 0 DAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001368266330 919650861 /nfs/dbraw/zinc/65/08/61/919650861.db2.gz IDEDLZWRMMUSQJ-ZIAGYGMSSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001368266330 919650868 /nfs/dbraw/zinc/65/08/68/919650868.db2.gz IDEDLZWRMMUSQJ-ZIAGYGMSSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001368266330 919650876 /nfs/dbraw/zinc/65/08/76/919650876.db2.gz IDEDLZWRMMUSQJ-ZIAGYGMSSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001368266330 919650883 /nfs/dbraw/zinc/65/08/83/919650883.db2.gz IDEDLZWRMMUSQJ-ZIAGYGMSSA-N 2 2 313.446 -1.060 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001368392974 919714896 /nfs/dbraw/zinc/71/48/96/919714896.db2.gz CGCBFRIKKOYXMQ-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001368392974 919714908 /nfs/dbraw/zinc/71/49/08/919714908.db2.gz CGCBFRIKKOYXMQ-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001368392608 919714956 /nfs/dbraw/zinc/71/49/56/919714956.db2.gz AUHAYBDCWGMKKT-NEPJUHHUSA-N 2 2 323.397 -1.270 20 0 DAADLP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001368505562 919732232 /nfs/dbraw/zinc/73/22/32/919732232.db2.gz AXFLWZGZDVIDEX-VXGBXAGGSA-N 2 2 309.370 -1.036 20 0 DAADLP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001368505551 919733377 /nfs/dbraw/zinc/73/33/77/919733377.db2.gz AXFLWZGZDVIDEX-NEPJUHHUSA-N 2 2 309.370 -1.036 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001368537849 919739819 /nfs/dbraw/zinc/73/98/19/919739819.db2.gz BJVUCGJMHKEKLC-PHIMTYICSA-N 2 2 319.369 -1.011 20 0 DAADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368648976 919753891 /nfs/dbraw/zinc/75/38/91/919753891.db2.gz FSMGPAWTUYDLJJ-MNOVXSKESA-N 2 2 322.369 -1.095 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368632763 919753975 /nfs/dbraw/zinc/75/39/75/919753975.db2.gz QLOZMGISSYWABO-HNNXBMFYSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368632769 919755218 /nfs/dbraw/zinc/75/52/18/919755218.db2.gz QLOZMGISSYWABO-OAHLLOKOSA-N 2 2 323.397 -1.017 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001368768574 919771846 /nfs/dbraw/zinc/77/18/46/919771846.db2.gz VZOYSLGFIGXLMY-LBPRGKRZSA-N 2 2 312.414 -1.243 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001368768574 919771854 /nfs/dbraw/zinc/77/18/54/919771854.db2.gz VZOYSLGFIGXLMY-LBPRGKRZSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+](C)CC1(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CC1 ZINC001368770385 919773700 /nfs/dbraw/zinc/77/37/00/919773700.db2.gz SFYBBPXGHWJMKC-UHFFFAOYSA-N 2 2 312.414 -1.243 20 0 DAADLP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001369145005 919819875 /nfs/dbraw/zinc/81/98/75/919819875.db2.gz FXSQQENJHBUZIV-MWLCHTKSSA-N 2 2 313.402 -1.042 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314955 919850840 /nfs/dbraw/zinc/85/08/40/919850840.db2.gz SVABLIPKAGBDQK-NWDGAFQWSA-N 2 2 314.386 -2.384 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314955 919850848 /nfs/dbraw/zinc/85/08/48/919850848.db2.gz SVABLIPKAGBDQK-NWDGAFQWSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369323069 919857644 /nfs/dbraw/zinc/85/76/44/919857644.db2.gz TWTJMEPJVZQNHQ-UWVGGRQHSA-N 2 2 315.374 -2.397 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369323069 919857658 /nfs/dbraw/zinc/85/76/58/919857658.db2.gz TWTJMEPJVZQNHQ-UWVGGRQHSA-N 2 2 315.374 -2.397 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001369332552 919869160 /nfs/dbraw/zinc/86/91/60/919869160.db2.gz FWOHYIXGJZABDJ-STQMWFEESA-N 2 2 312.418 -1.032 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC001369345984 919882269 /nfs/dbraw/zinc/88/22/69/919882269.db2.gz VCKLABRLRRAERN-NSHDSACASA-N 2 2 318.399 -1.697 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001369358402 919895050 /nfs/dbraw/zinc/89/50/50/919895050.db2.gz IPEMODBHIDOBPP-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001369365703 919902250 /nfs/dbraw/zinc/90/22/50/919902250.db2.gz RSMVYVVIMAHEPM-LLVKDONJSA-N 2 2 302.375 -2.479 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001369368833 919903147 /nfs/dbraw/zinc/90/31/47/919903147.db2.gz YSVQYTNVGGGIKT-NEPJUHHUSA-N 2 2 323.397 -1.433 20 0 DAADLP Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001369372138 919906641 /nfs/dbraw/zinc/90/66/41/919906641.db2.gz HYPZFIIPAFGRRL-CYBMUJFWSA-N 2 2 306.370 -1.074 20 0 DAADLP CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001369371038 919907014 /nfs/dbraw/zinc/90/70/14/919907014.db2.gz FODQWSOYDMLLRV-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001369380935 919914956 /nfs/dbraw/zinc/91/49/56/919914956.db2.gz WTNZSVZHGRDOGC-NEPJUHHUSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001369384241 919917469 /nfs/dbraw/zinc/91/74/69/919917469.db2.gz OXKUHLSRENXZRQ-LLVKDONJSA-N 2 2 307.358 -1.413 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001369475712 919949900 /nfs/dbraw/zinc/94/99/00/919949900.db2.gz XOYSLNULPONXBK-CMPLNLGQSA-N 2 2 311.386 -1.162 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001369475716 919951652 /nfs/dbraw/zinc/95/16/52/919951652.db2.gz XOYSLNULPONXBK-JQWIXIFHSA-N 2 2 311.386 -1.162 20 0 DAADLP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369475848 919951878 /nfs/dbraw/zinc/95/18/78/919951878.db2.gz YCCJMUAGNLPFRY-LBPRGKRZSA-N 2 2 307.358 -1.310 20 0 DAADLP CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369475847 919952091 /nfs/dbraw/zinc/95/20/91/919952091.db2.gz YCCJMUAGNLPFRY-GFCCVEGCSA-N 2 2 307.358 -1.310 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001369486319 919962054 /nfs/dbraw/zinc/96/20/54/919962054.db2.gz SLWSPMNVWUSGAN-GHMZBOCLSA-N 2 2 311.386 -1.162 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001369491167 919964576 /nfs/dbraw/zinc/96/45/76/919964576.db2.gz OQUURIOXKQWWAE-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001369935288 920017978 /nfs/dbraw/zinc/01/79/78/920017978.db2.gz DPSFYOOCGABLCZ-ZDUSSCGKSA-N 2 2 313.446 -1.066 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001369935288 920017991 /nfs/dbraw/zinc/01/79/91/920017991.db2.gz DPSFYOOCGABLCZ-ZDUSSCGKSA-N 2 2 313.446 -1.066 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370673818 920103781 /nfs/dbraw/zinc/10/37/81/920103781.db2.gz WGBBVABTCXXWKH-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370673818 920103796 /nfs/dbraw/zinc/10/37/96/920103796.db2.gz WGBBVABTCXXWKH-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001370716288 920138840 /nfs/dbraw/zinc/13/88/40/920138840.db2.gz ADVHMZGBHIMNNA-GARJFASQSA-N 2 2 322.369 -1.036 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001370745652 920153647 /nfs/dbraw/zinc/15/36/47/920153647.db2.gz PKJQBIJQGYITLS-LBPRGKRZSA-N 2 2 323.397 -1.348 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001370742980 920153969 /nfs/dbraw/zinc/15/39/69/920153969.db2.gz HUOQCAUDNOOONE-DGCLKSJQSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370742980 920153981 /nfs/dbraw/zinc/15/39/81/920153981.db2.gz HUOQCAUDNOOONE-DGCLKSJQSA-N 2 2 323.397 -1.350 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001370797685 920179060 /nfs/dbraw/zinc/17/90/60/920179060.db2.gz WTMALNQEYWZBOP-NSHDSACASA-N 2 2 322.369 -1.094 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001370797685 920179069 /nfs/dbraw/zinc/17/90/69/920179069.db2.gz WTMALNQEYWZBOP-NSHDSACASA-N 2 2 322.369 -1.094 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001370797682 920179173 /nfs/dbraw/zinc/17/91/73/920179173.db2.gz WTMALNQEYWZBOP-LLVKDONJSA-N 2 2 322.369 -1.094 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001370797682 920179185 /nfs/dbraw/zinc/17/91/85/920179185.db2.gz WTMALNQEYWZBOP-LLVKDONJSA-N 2 2 322.369 -1.094 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001370986476 920206759 /nfs/dbraw/zinc/20/67/59/920206759.db2.gz PFGLVFVPAIFKFV-RYUDHWBXSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001370986476 920206779 /nfs/dbraw/zinc/20/67/79/920206779.db2.gz PFGLVFVPAIFKFV-RYUDHWBXSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001370986471 920207126 /nfs/dbraw/zinc/20/71/26/920207126.db2.gz PFGLVFVPAIFKFV-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001370986471 920207140 /nfs/dbraw/zinc/20/71/40/920207140.db2.gz PFGLVFVPAIFKFV-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)CC[NH+](C)C ZINC001371034984 920224534 /nfs/dbraw/zinc/22/45/34/920224534.db2.gz WOFGDYGWFXTLSA-LBPRGKRZSA-N 2 2 311.386 -1.161 20 0 DAADLP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001371469274 920263881 /nfs/dbraw/zinc/26/38/81/920263881.db2.gz AACPOODLXDSRFQ-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001371469274 920263898 /nfs/dbraw/zinc/26/38/98/920263898.db2.gz AACPOODLXDSRFQ-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372565879 920385583 /nfs/dbraw/zinc/38/55/83/920385583.db2.gz KNJRIQQMRCNRDB-LLVKDONJSA-N 2 2 311.386 -1.142 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372565879 920385602 /nfs/dbraw/zinc/38/56/02/920385602.db2.gz KNJRIQQMRCNRDB-LLVKDONJSA-N 2 2 311.386 -1.142 20 0 DAADLP CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)NC ZINC001372686263 920397671 /nfs/dbraw/zinc/39/76/71/920397671.db2.gz AKPPVXHGQVWPPN-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)NC ZINC001372686263 920397683 /nfs/dbraw/zinc/39/76/83/920397683.db2.gz AKPPVXHGQVWPPN-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)NC ZINC001372686263 920397700 /nfs/dbraw/zinc/39/77/00/920397700.db2.gz AKPPVXHGQVWPPN-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)NC ZINC001372686263 920397715 /nfs/dbraw/zinc/39/77/15/920397715.db2.gz AKPPVXHGQVWPPN-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373255330 920468411 /nfs/dbraw/zinc/46/84/11/920468411.db2.gz VLWJKIIEEKKMJM-NSHDSACASA-N 2 2 322.369 -1.094 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373255330 920468421 /nfs/dbraw/zinc/46/84/21/920468421.db2.gz VLWJKIIEEKKMJM-NSHDSACASA-N 2 2 322.369 -1.094 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373549107 920519888 /nfs/dbraw/zinc/51/98/88/920519888.db2.gz FIAVSRHJUOZCOC-SNVBAGLBSA-N 2 2 311.386 -1.429 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373549107 920519896 /nfs/dbraw/zinc/51/98/96/920519896.db2.gz FIAVSRHJUOZCOC-SNVBAGLBSA-N 2 2 311.386 -1.429 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373592361 920531262 /nfs/dbraw/zinc/53/12/62/920531262.db2.gz RCPYJEDAXALXRR-RYUDHWBXSA-N 2 2 323.397 -1.286 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373592361 920531271 /nfs/dbraw/zinc/53/12/71/920531271.db2.gz RCPYJEDAXALXRR-RYUDHWBXSA-N 2 2 323.397 -1.286 20 0 DAADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373638591 920539868 /nfs/dbraw/zinc/53/98/68/920539868.db2.gz FVKCMANMTUDBTE-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373638591 920539881 /nfs/dbraw/zinc/53/98/81/920539881.db2.gz FVKCMANMTUDBTE-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373628468 920540930 /nfs/dbraw/zinc/54/09/30/920540930.db2.gz RCPYJEDAXALXRR-NEPJUHHUSA-N 2 2 323.397 -1.286 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373628468 920540940 /nfs/dbraw/zinc/54/09/40/920540940.db2.gz RCPYJEDAXALXRR-NEPJUHHUSA-N 2 2 323.397 -1.286 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995693 920574124 /nfs/dbraw/zinc/57/41/24/920574124.db2.gz FYCRPKYKYZWSKX-WDEREUQCSA-N 2 2 311.390 -1.617 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995693 920574136 /nfs/dbraw/zinc/57/41/36/920574136.db2.gz FYCRPKYKYZWSKX-WDEREUQCSA-N 2 2 311.390 -1.617 20 0 DAADLP O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC1 ZINC001374615332 920646923 /nfs/dbraw/zinc/64/69/23/920646923.db2.gz JTULWSJHNJZLKM-QJPTWQEYSA-N 2 2 321.381 -1.188 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001374616341 920651344 /nfs/dbraw/zinc/65/13/44/920651344.db2.gz GIRSTBDZRMPVCY-PWSUYJOCSA-N 2 2 309.370 -1.742 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001374618788 920653490 /nfs/dbraw/zinc/65/34/90/920653490.db2.gz YSHNMQXDUAFZEP-GHMZBOCLSA-N 2 2 311.386 -1.133 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001374618855 920653887 /nfs/dbraw/zinc/65/38/87/920653887.db2.gz YSHNMQXDUAFZEP-MNOVXSKESA-N 2 2 311.386 -1.133 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001374631819 920660386 /nfs/dbraw/zinc/66/03/86/920660386.db2.gz GYDPERSNIVDISD-QWRGUYRKSA-N 2 2 309.370 -1.692 20 0 DAADLP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001374647591 920671945 /nfs/dbraw/zinc/67/19/45/920671945.db2.gz BUTJAJYLGLHAPX-LBPRGKRZSA-N 2 2 307.358 -1.170 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001374669220 920685771 /nfs/dbraw/zinc/68/57/71/920685771.db2.gz JBQRCBOXKYNSAO-GFCCVEGCSA-N 2 2 307.358 -1.642 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374674279 920687469 /nfs/dbraw/zinc/68/74/69/920687469.db2.gz DJLZXXDJJATSQR-OLZOCXBDSA-N 2 2 323.397 -1.302 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374674232 920687997 /nfs/dbraw/zinc/68/79/97/920687997.db2.gz DJLZXXDJJATSQR-CHWSQXEVSA-N 2 2 323.397 -1.302 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001374682656 920690567 /nfs/dbraw/zinc/69/05/67/920690567.db2.gz XXLLYFYZEPBMRD-LLVKDONJSA-N 2 2 309.370 -1.440 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001375223666 920756204 /nfs/dbraw/zinc/75/62/04/920756204.db2.gz WHCLEQXRUDFDIO-OLZOCXBDSA-N 2 2 312.414 -1.110 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001375223666 920756214 /nfs/dbraw/zinc/75/62/14/920756214.db2.gz WHCLEQXRUDFDIO-OLZOCXBDSA-N 2 2 312.414 -1.110 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001376045428 920832083 /nfs/dbraw/zinc/83/20/83/920832083.db2.gz DDHUIIPQCDQFSE-CJNGLKHVSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001376045428 920832102 /nfs/dbraw/zinc/83/21/02/920832102.db2.gz DDHUIIPQCDQFSE-CJNGLKHVSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376045428 920832120 /nfs/dbraw/zinc/83/21/20/920832120.db2.gz DDHUIIPQCDQFSE-CJNGLKHVSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376045428 920832134 /nfs/dbraw/zinc/83/21/34/920832134.db2.gz DDHUIIPQCDQFSE-CJNGLKHVSA-N 2 2 324.425 -1.088 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)nn1 ZINC001376046345 920834728 /nfs/dbraw/zinc/83/47/28/920834728.db2.gz DNTQHUDLWFSKRQ-UKRRQHHQSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)nn1 ZINC001376046345 920834742 /nfs/dbraw/zinc/83/47/42/920834742.db2.gz DNTQHUDLWFSKRQ-UKRRQHHQSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001376046345 920834759 /nfs/dbraw/zinc/83/47/59/920834759.db2.gz DNTQHUDLWFSKRQ-UKRRQHHQSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001376046345 920834771 /nfs/dbraw/zinc/83/47/71/920834771.db2.gz DNTQHUDLWFSKRQ-UKRRQHHQSA-N 2 2 322.413 -1.038 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001376071207 920843428 /nfs/dbraw/zinc/84/34/28/920843428.db2.gz KRDNFXCXHZRXHM-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001376071207 920843441 /nfs/dbraw/zinc/84/34/41/920843441.db2.gz KRDNFXCXHZRXHM-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001376071207 920843450 /nfs/dbraw/zinc/84/34/50/920843450.db2.gz KRDNFXCXHZRXHM-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001376071207 920843458 /nfs/dbraw/zinc/84/34/58/920843458.db2.gz KRDNFXCXHZRXHM-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376092045 920850918 /nfs/dbraw/zinc/85/09/18/920850918.db2.gz IDRXUTDJSKZXHF-OAHLLOKOSA-N 2 2 323.397 -1.167 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376092045 920850932 /nfs/dbraw/zinc/85/09/32/920850932.db2.gz IDRXUTDJSKZXHF-OAHLLOKOSA-N 2 2 323.397 -1.167 20 0 DAADLP C[NH+](C)CCC(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001376093618 920853894 /nfs/dbraw/zinc/85/38/94/920853894.db2.gz BILCQMSCCJBKLJ-CYBMUJFWSA-N 2 2 311.430 -1.440 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001376093766 920854190 /nfs/dbraw/zinc/85/41/90/920854190.db2.gz CERJHJAGKKDDDY-CYBMUJFWSA-N 2 2 313.446 -1.194 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001376257102 920906119 /nfs/dbraw/zinc/90/61/19/920906119.db2.gz XESCNORKPUSJSA-JTQLQIEISA-N 2 2 322.369 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001376275997 920907849 /nfs/dbraw/zinc/90/78/49/920907849.db2.gz VWRLPMMALQZIBK-NSHDSACASA-N 2 2 322.369 -1.177 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376279186 920911526 /nfs/dbraw/zinc/91/15/26/920911526.db2.gz UEQMWHSRRXPNKT-OLZOCXBDSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376279186 920911551 /nfs/dbraw/zinc/91/15/51/920911551.db2.gz UEQMWHSRRXPNKT-OLZOCXBDSA-N 2 2 315.414 -1.502 20 0 DAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001376293550 920915085 /nfs/dbraw/zinc/91/50/85/920915085.db2.gz DPJOKMCZVGQDPP-CHWSQXEVSA-N 2 2 315.414 -1.502 20 0 DAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001376294592 920916163 /nfs/dbraw/zinc/91/61/63/920916163.db2.gz DPJOKMCZVGQDPP-STQMWFEESA-N 2 2 315.414 -1.502 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376333725 920922951 /nfs/dbraw/zinc/92/29/51/920922951.db2.gz RUPLAIOQQSMRCW-UWVGGRQHSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376333725 920922964 /nfs/dbraw/zinc/92/29/64/920922964.db2.gz RUPLAIOQQSMRCW-UWVGGRQHSA-N 2 2 322.369 -1.026 20 0 DAADLP CC[C@@H](C(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001376478024 920948288 /nfs/dbraw/zinc/94/82/88/920948288.db2.gz FWMLYIUDUFTSPH-FZMZJTMJSA-N 2 2 300.403 -1.245 20 0 DAADLP CC[C@@H](C(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001376478024 920948301 /nfs/dbraw/zinc/94/83/01/920948301.db2.gz FWMLYIUDUFTSPH-FZMZJTMJSA-N 2 2 300.403 -1.245 20 0 DAADLP CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)Cn2cc[nH+]c2)C1=O ZINC001376549641 920979983 /nfs/dbraw/zinc/97/99/83/920979983.db2.gz OXKQPTGYTMEEED-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001376661854 921008238 /nfs/dbraw/zinc/00/82/38/921008238.db2.gz NCTKECVZGCQZAO-LLVKDONJSA-N 2 2 311.386 -1.194 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001376661857 921008742 /nfs/dbraw/zinc/00/87/42/921008742.db2.gz NCTKECVZGCQZAO-NSHDSACASA-N 2 2 311.386 -1.194 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(=O)NC(N)=O ZINC001376757090 921028698 /nfs/dbraw/zinc/02/86/98/921028698.db2.gz HSWBVLIMFPBMEU-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001376858442 921043438 /nfs/dbraw/zinc/04/34/38/921043438.db2.gz XETZMGVGBJCANP-QWRGUYRKSA-N 2 2 300.359 -2.381 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001376858442 921043450 /nfs/dbraw/zinc/04/34/50/921043450.db2.gz XETZMGVGBJCANP-QWRGUYRKSA-N 2 2 300.359 -2.381 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001376858432 921044235 /nfs/dbraw/zinc/04/42/35/921044235.db2.gz XETZMGVGBJCANP-MNOVXSKESA-N 2 2 300.359 -2.381 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001376858432 921044239 /nfs/dbraw/zinc/04/42/39/921044239.db2.gz XETZMGVGBJCANP-MNOVXSKESA-N 2 2 300.359 -2.381 20 0 DAADLP CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001378009157 921895905 /nfs/dbraw/zinc/89/59/05/921895905.db2.gz IBXANVAOGPYZEW-KOLCDFICSA-N 2 2 313.402 -1.042 20 0 DAADLP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001378009162 921898240 /nfs/dbraw/zinc/89/82/40/921898240.db2.gz IBXANVAOGPYZEW-ONGXEEELSA-N 2 2 313.402 -1.042 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378223092 921933574 /nfs/dbraw/zinc/93/35/74/921933574.db2.gz AEAZLXDYOZEWIH-ZJUUUORDSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378223092 921933588 /nfs/dbraw/zinc/93/35/88/921933588.db2.gz AEAZLXDYOZEWIH-ZJUUUORDSA-N 2 2 310.358 -1.097 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001378840725 922013712 /nfs/dbraw/zinc/01/37/12/922013712.db2.gz IGUHFHWIDUQJRE-SNVBAGLBSA-N 2 2 324.385 -1.145 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173912 922049264 /nfs/dbraw/zinc/04/92/64/922049264.db2.gz ARTKEBILWHKZGU-MWLCHTKSSA-N 2 2 315.399 -1.565 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173912 922049278 /nfs/dbraw/zinc/04/92/78/922049278.db2.gz ARTKEBILWHKZGU-MWLCHTKSSA-N 2 2 315.399 -1.565 20 0 DAADLP CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001379222450 922082167 /nfs/dbraw/zinc/08/21/67/922082167.db2.gz OYCDAOZSIHKIOH-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379234715 922091227 /nfs/dbraw/zinc/09/12/27/922091227.db2.gz VEUJMMSNGZTRMB-WCQYABFASA-N 2 2 323.397 -1.400 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379240011 922094626 /nfs/dbraw/zinc/09/46/26/922094626.db2.gz XMKHXZSYQXZKNJ-RYUDHWBXSA-N 2 2 323.397 -1.302 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255987 922101939 /nfs/dbraw/zinc/10/19/39/922101939.db2.gz SVLQTUDMCWVMMB-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255987 922101948 /nfs/dbraw/zinc/10/19/48/922101948.db2.gz SVLQTUDMCWVMMB-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001379275982 922113465 /nfs/dbraw/zinc/11/34/65/922113465.db2.gz KSACOGDKPVRWMB-ZJUUUORDSA-N 2 2 324.385 -1.018 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001379282229 922115972 /nfs/dbraw/zinc/11/59/72/922115972.db2.gz RPYDXWNFJXBIAX-WDEREUQCSA-N 2 2 309.370 -1.442 20 0 DAADLP CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001379293011 922120830 /nfs/dbraw/zinc/12/08/30/922120830.db2.gz OZBVNXDLWOWVMN-GFCCVEGCSA-N 2 2 307.358 -1.239 20 0 DAADLP Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379375945 922142988 /nfs/dbraw/zinc/14/29/88/922142988.db2.gz RZGZQQWJXGSJIA-JSGCOSHPSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379375945 922142998 /nfs/dbraw/zinc/14/29/98/922142998.db2.gz RZGZQQWJXGSJIA-JSGCOSHPSA-N 2 2 323.397 -1.318 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379381290 922147423 /nfs/dbraw/zinc/14/74/23/922147423.db2.gz PIKBLTFETZDRBQ-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001379470005 922186810 /nfs/dbraw/zinc/18/68/10/922186810.db2.gz QUADOYYZCAFXCZ-LBPRGKRZSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001379509538 922211308 /nfs/dbraw/zinc/21/13/08/922211308.db2.gz QLVOZMMQCIZVNJ-SNVBAGLBSA-N 2 2 307.358 -1.642 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCN(C)C1=O ZINC001379517653 922212709 /nfs/dbraw/zinc/21/27/09/922212709.db2.gz XGIXIFULKZDJPN-RYUDHWBXSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001379516521 922213319 /nfs/dbraw/zinc/21/33/19/922213319.db2.gz TZGRUQGPMRRCIS-NSHDSACASA-N 2 2 307.358 -1.381 20 0 DAADLP CCn1cc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001379525009 922215976 /nfs/dbraw/zinc/21/59/76/922215976.db2.gz HBEZGWJPRRVQKJ-ZDUSSCGKSA-N 2 2 310.402 -1.040 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001379861517 922285364 /nfs/dbraw/zinc/28/53/64/922285364.db2.gz ZWNPIQYGEILZGZ-NSHDSACASA-N 2 2 311.386 -1.114 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379887456 922285910 /nfs/dbraw/zinc/28/59/10/922285910.db2.gz ZMXZAIYDLOEMHH-QWRGUYRKSA-N 2 2 309.370 -1.442 20 0 DAADLP C[C@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001380442599 922360292 /nfs/dbraw/zinc/36/02/92/922360292.db2.gz OIJPZVOOHIUNDQ-CQSZACIVSA-N 2 2 322.369 -1.094 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001380565016 922391406 /nfs/dbraw/zinc/39/14/06/922391406.db2.gz FPMSNWBDIBFWHI-FZMZJTMJSA-N 2 2 309.370 -1.429 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001380565016 922391425 /nfs/dbraw/zinc/39/14/25/922391425.db2.gz FPMSNWBDIBFWHI-FZMZJTMJSA-N 2 2 309.370 -1.429 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001380632490 922427906 /nfs/dbraw/zinc/42/79/06/922427906.db2.gz BVOFZDOYYHGNHH-STQMWFEESA-N 2 2 317.430 -1.257 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380640751 922431133 /nfs/dbraw/zinc/43/11/33/922431133.db2.gz DWOZIDROYJEBAG-NEPJUHHUSA-N 2 2 301.387 -1.892 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380640751 922431144 /nfs/dbraw/zinc/43/11/44/922431144.db2.gz DWOZIDROYJEBAG-NEPJUHHUSA-N 2 2 301.387 -1.892 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001380733759 922445744 /nfs/dbraw/zinc/44/57/44/922445744.db2.gz ISWSMASNJKYFPM-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001380733759 922445756 /nfs/dbraw/zinc/44/57/56/922445756.db2.gz ISWSMASNJKYFPM-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001380773855 922458438 /nfs/dbraw/zinc/45/84/38/922458438.db2.gz MRAXZLUVPXZCPF-GFCCVEGCSA-N 2 2 323.397 -1.098 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001380914985 922474050 /nfs/dbraw/zinc/47/40/50/922474050.db2.gz LHYMQFKSWYQOFT-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001380912483 922474651 /nfs/dbraw/zinc/47/46/51/922474651.db2.gz GDAIHSMNAOWBIS-NEPJUHHUSA-N 2 2 309.370 -1.165 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001381247551 922516653 /nfs/dbraw/zinc/51/66/53/922516653.db2.gz UICQUZFCNSKIMX-RYUDHWBXSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001381247551 922516661 /nfs/dbraw/zinc/51/66/61/922516661.db2.gz UICQUZFCNSKIMX-RYUDHWBXSA-N 2 2 312.414 -1.103 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001382238865 922638576 /nfs/dbraw/zinc/63/85/76/922638576.db2.gz UWCZJVUPCODDMG-NSHDSACASA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001382268008 922650670 /nfs/dbraw/zinc/65/06/70/922650670.db2.gz RKLXCQIZWFSXPI-WDEREUQCSA-N 2 2 323.401 -1.566 20 0 DAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001382268007 922650753 /nfs/dbraw/zinc/65/07/53/922650753.db2.gz RKLXCQIZWFSXPI-QWRGUYRKSA-N 2 2 323.401 -1.566 20 0 DAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001382268005 922652886 /nfs/dbraw/zinc/65/28/86/922652886.db2.gz RKLXCQIZWFSXPI-GHMZBOCLSA-N 2 2 323.401 -1.566 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001382267892 922653461 /nfs/dbraw/zinc/65/34/61/922653461.db2.gz RFKHINRQGSOBES-ZDUSSCGKSA-N 2 2 322.413 -1.040 20 0 DAADLP CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001382274913 922659024 /nfs/dbraw/zinc/65/90/24/922659024.db2.gz QHULOYBRSKEAHO-DGCLKSJQSA-N 2 2 310.402 -1.184 20 0 DAADLP CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001382274913 922659031 /nfs/dbraw/zinc/65/90/31/922659031.db2.gz QHULOYBRSKEAHO-DGCLKSJQSA-N 2 2 310.402 -1.184 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)C ZINC001382274211 922659309 /nfs/dbraw/zinc/65/93/09/922659309.db2.gz OAUAXUWQHIBSNT-GFCCVEGCSA-N 2 2 311.386 -1.217 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001382286660 922668256 /nfs/dbraw/zinc/66/82/56/922668256.db2.gz MKDYMDDXQYSYEV-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382292273 922671141 /nfs/dbraw/zinc/67/11/41/922671141.db2.gz SRMOBQJBFKHKAR-LBPRGKRZSA-N 2 2 311.386 -1.183 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001382399784 922722127 /nfs/dbraw/zinc/72/21/27/922722127.db2.gz IIGIUZBLDXHXHR-VXGBXAGGSA-N 2 2 323.397 -1.400 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001382440616 922755226 /nfs/dbraw/zinc/75/52/26/922755226.db2.gz IHCVOPQYWLZKCH-NSHDSACASA-N 2 2 322.373 -1.676 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC001382464504 922771613 /nfs/dbraw/zinc/77/16/13/922771613.db2.gz RXAQUILABBRIGH-JHJVBQTASA-N 2 2 323.397 -1.183 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC001382464504 922771625 /nfs/dbraw/zinc/77/16/25/922771625.db2.gz RXAQUILABBRIGH-JHJVBQTASA-N 2 2 323.397 -1.183 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001382480425 922781799 /nfs/dbraw/zinc/78/17/99/922781799.db2.gz LXIOISGZPOLSMW-GFCCVEGCSA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001382480425 922781813 /nfs/dbraw/zinc/78/18/13/922781813.db2.gz LXIOISGZPOLSMW-GFCCVEGCSA-N 2 2 311.386 -1.114 20 0 DAADLP CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001382574965 922811742 /nfs/dbraw/zinc/81/17/42/922811742.db2.gz NCJZERIGBDKFAJ-MNOVXSKESA-N 2 2 311.386 -1.114 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001382952815 922854214 /nfs/dbraw/zinc/85/42/14/922854214.db2.gz LMEPRPNRGJVIRU-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382952815 922854222 /nfs/dbraw/zinc/85/42/22/922854222.db2.gz LMEPRPNRGJVIRU-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001383923125 922977283 /nfs/dbraw/zinc/97/72/83/922977283.db2.gz CXWIFAGFVMGGOT-CYBMUJFWSA-N 2 2 323.397 -1.119 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383951199 922990854 /nfs/dbraw/zinc/99/08/54/922990854.db2.gz IKEUBMGAWIEDPM-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383951199 922990862 /nfs/dbraw/zinc/99/08/62/922990862.db2.gz IKEUBMGAWIEDPM-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001383958033 922994379 /nfs/dbraw/zinc/99/43/79/922994379.db2.gz ZTZVPZUIGJEFFL-LBPRGKRZSA-N 2 2 323.397 -1.113 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001384004672 923021920 /nfs/dbraw/zinc/02/19/20/923021920.db2.gz OYUDCFPGZPIXEK-NSHDSACASA-N 2 2 321.381 -1.359 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058850 923041051 /nfs/dbraw/zinc/04/10/51/923041051.db2.gz ZALTXRWEACJNNI-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058850 923041067 /nfs/dbraw/zinc/04/10/67/923041067.db2.gz ZALTXRWEACJNNI-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001384815290 923127103 /nfs/dbraw/zinc/12/71/03/923127103.db2.gz GHYHGRDXCMDYFT-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001385119426 923146578 /nfs/dbraw/zinc/14/65/78/923146578.db2.gz ZAMRIAHPALVLNX-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001389125999 923565622 /nfs/dbraw/zinc/56/56/22/923565622.db2.gz WTYNWXBOYYZROW-NSHDSACASA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCCN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001389432831 923622640 /nfs/dbraw/zinc/62/26/40/923622640.db2.gz CYZZRAVWWCTEQN-KBPBESRZSA-N 2 2 323.441 -1.440 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCCN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001389432831 923622654 /nfs/dbraw/zinc/62/26/54/923622654.db2.gz CYZZRAVWWCTEQN-KBPBESRZSA-N 2 2 323.441 -1.440 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001389781626 923678681 /nfs/dbraw/zinc/67/86/81/923678681.db2.gz PZQRQMNJHBOHMH-UWVGGRQHSA-N 2 2 313.358 -2.298 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001389781639 923681842 /nfs/dbraw/zinc/68/18/42/923681842.db2.gz PZQRQMNJHBOHMH-VHSXEESVSA-N 2 2 313.358 -2.298 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001389781639 923681848 /nfs/dbraw/zinc/68/18/48/923681848.db2.gz PZQRQMNJHBOHMH-VHSXEESVSA-N 2 2 313.358 -2.298 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001389914891 923696962 /nfs/dbraw/zinc/69/69/62/923696962.db2.gz ADVHMZGBHIMNNA-GMTAPVOTSA-N 2 2 322.369 -1.036 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001390460744 923744002 /nfs/dbraw/zinc/74/40/02/923744002.db2.gz RNHHNUHFMRRSDU-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001390584644 923760575 /nfs/dbraw/zinc/76/05/75/923760575.db2.gz GQZSKVYNKAQRCR-NXEZZACHSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001390584645 923761552 /nfs/dbraw/zinc/76/15/52/923761552.db2.gz GQZSKVYNKAQRCR-UWVGGRQHSA-N 2 2 322.369 -1.026 20 0 DAADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCOCC1 ZINC001390860124 923790258 /nfs/dbraw/zinc/79/02/58/923790258.db2.gz KLIPSNXGJBRPMU-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCOCC1 ZINC001390860124 923790269 /nfs/dbraw/zinc/79/02/69/923790269.db2.gz KLIPSNXGJBRPMU-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)CC(N)=O ZINC001391027189 923797144 /nfs/dbraw/zinc/79/71/44/923797144.db2.gz UADQEBJLXLAGEV-GFCCVEGCSA-N 2 2 300.403 -1.122 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)CC(N)=O ZINC001391027189 923797155 /nfs/dbraw/zinc/79/71/55/923797155.db2.gz UADQEBJLXLAGEV-GFCCVEGCSA-N 2 2 300.403 -1.122 20 0 DAADLP CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001392131659 923940769 /nfs/dbraw/zinc/94/07/69/923940769.db2.gz SBECCYIRNMWWSZ-NWDGAFQWSA-N 2 2 311.386 -1.183 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001392179589 923946848 /nfs/dbraw/zinc/94/68/48/923946848.db2.gz HIDHHVIFCRISIP-KOLCDFICSA-N 2 2 322.369 -1.026 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001392389604 924001613 /nfs/dbraw/zinc/00/16/13/924001613.db2.gz IDTRPGLZGPQXTL-NWDGAFQWSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001392389604 924001627 /nfs/dbraw/zinc/00/16/27/924001627.db2.gz IDTRPGLZGPQXTL-NWDGAFQWSA-N 2 2 323.401 -1.331 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001392388643 924002688 /nfs/dbraw/zinc/00/26/88/924002688.db2.gz KPRLVHICBBAEGM-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001392395799 924009916 /nfs/dbraw/zinc/00/99/16/924009916.db2.gz XPNPOVMHTKUPLA-NSHDSACASA-N 2 2 307.358 -1.115 20 0 DAADLP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392408687 924018007 /nfs/dbraw/zinc/01/80/07/924018007.db2.gz IGLLKNIFEYJBLI-LLVKDONJSA-N 2 2 311.386 -1.114 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422289 924023832 /nfs/dbraw/zinc/02/38/32/924023832.db2.gz HWBPQYAMDUTEDN-NWDGAFQWSA-N 2 2 313.358 -1.643 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422289 924023840 /nfs/dbraw/zinc/02/38/40/924023840.db2.gz HWBPQYAMDUTEDN-NWDGAFQWSA-N 2 2 313.358 -1.643 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001392425377 924026513 /nfs/dbraw/zinc/02/65/13/924026513.db2.gz IMVYVNCMSQZCNI-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001392425373 924026663 /nfs/dbraw/zinc/02/66/63/924026663.db2.gz IMVYVNCMSQZCNI-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001392425364 924028297 /nfs/dbraw/zinc/02/82/97/924028297.db2.gz IMVYVNCMSQZCNI-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001392423176 924028645 /nfs/dbraw/zinc/02/86/45/924028645.db2.gz PRWRFJBGHFNQKY-CYBMUJFWSA-N 2 2 321.385 -1.252 20 0 DAADLP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001392507384 924040517 /nfs/dbraw/zinc/04/05/17/924040517.db2.gz ZFXDLQUWCKMDFS-NXEZZACHSA-N 2 2 310.358 -1.049 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392802962 924080791 /nfs/dbraw/zinc/08/07/91/924080791.db2.gz SHWAXMYHEVJKOP-NSHDSACASA-N 2 2 322.369 -1.358 20 0 DAADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001393249318 924132414 /nfs/dbraw/zinc/13/24/14/924132414.db2.gz QOAQPMNOKKJCGP-IUODEOHRSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001393249318 924132422 /nfs/dbraw/zinc/13/24/22/924132422.db2.gz QOAQPMNOKKJCGP-IUODEOHRSA-N 2 2 308.382 -1.009 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@H](C)OC)C2)C1 ZINC001393360944 924192090 /nfs/dbraw/zinc/19/20/90/924192090.db2.gz OITQGDNAIVWTNQ-QWHCGFSZSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@H](C)OC)C2)C1 ZINC001393360944 924192097 /nfs/dbraw/zinc/19/20/97/924192097.db2.gz OITQGDNAIVWTNQ-QWHCGFSZSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)OC)C2)C1 ZINC001393360943 924192143 /nfs/dbraw/zinc/19/21/43/924192143.db2.gz OITQGDNAIVWTNQ-OLZOCXBDSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)OC)C2)C1 ZINC001393360943 924192150 /nfs/dbraw/zinc/19/21/50/924192150.db2.gz OITQGDNAIVWTNQ-OLZOCXBDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393361264 924192453 /nfs/dbraw/zinc/19/24/53/924192453.db2.gz UJRNSROVMSBQSU-LBPRGKRZSA-N 2 2 303.403 -1.503 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393361264 924192464 /nfs/dbraw/zinc/19/24/64/924192464.db2.gz UJRNSROVMSBQSU-LBPRGKRZSA-N 2 2 303.403 -1.503 20 0 DAADLP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393400146 924194304 /nfs/dbraw/zinc/19/43/04/924194304.db2.gz VZKPFRWFPTXTFT-QWRGUYRKSA-N 2 2 322.369 -1.095 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001393443767 924201799 /nfs/dbraw/zinc/20/17/99/924201799.db2.gz AKIUVWGYQUFEHB-AWEZNQCLSA-N 2 2 300.403 -1.243 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001393443767 924201812 /nfs/dbraw/zinc/20/18/12/924201812.db2.gz AKIUVWGYQUFEHB-AWEZNQCLSA-N 2 2 300.403 -1.243 20 0 DAADLP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393428813 924202657 /nfs/dbraw/zinc/20/26/57/924202657.db2.gz NMUGOEDLAYMQMP-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393428813 924202669 /nfs/dbraw/zinc/20/26/69/924202669.db2.gz NMUGOEDLAYMQMP-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001393428813 924202678 /nfs/dbraw/zinc/20/26/78/924202678.db2.gz NMUGOEDLAYMQMP-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001393428813 924202691 /nfs/dbraw/zinc/20/26/91/924202691.db2.gz NMUGOEDLAYMQMP-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393452234 924205373 /nfs/dbraw/zinc/20/53/73/924205373.db2.gz OEOWHTPWPHVAHZ-CQSZACIVSA-N 2 2 300.403 -1.373 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393452234 924205384 /nfs/dbraw/zinc/20/53/84/924205384.db2.gz OEOWHTPWPHVAHZ-CQSZACIVSA-N 2 2 300.403 -1.373 20 0 DAADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001393486059 924217762 /nfs/dbraw/zinc/21/77/62/924217762.db2.gz XEHSQKMOXLRFPV-GFCCVEGCSA-N 2 2 309.370 -1.428 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393584740 924230871 /nfs/dbraw/zinc/23/08/71/924230871.db2.gz LZEYBYCGFKWPFG-NSHDSACASA-N 2 2 309.370 -1.095 20 0 DAADLP C[C@H]([NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(N)=O ZINC001393772043 924253836 /nfs/dbraw/zinc/25/38/36/924253836.db2.gz KPBJNAUNPUPIJM-JTQLQIEISA-N 2 2 309.370 -1.231 20 0 DAADLP CC[C@H](C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001393851748 924262798 /nfs/dbraw/zinc/26/27/98/924262798.db2.gz DIGHAVAWWAYAGD-LLVKDONJSA-N 2 2 300.403 -1.245 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139995 924282843 /nfs/dbraw/zinc/28/28/43/924282843.db2.gz JYCLAFGWNLRUOU-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139995 924282847 /nfs/dbraw/zinc/28/28/47/924282847.db2.gz JYCLAFGWNLRUOU-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)C1 ZINC001394139995 924282855 /nfs/dbraw/zinc/28/28/55/924282855.db2.gz JYCLAFGWNLRUOU-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)C1 ZINC001394139995 924282863 /nfs/dbraw/zinc/28/28/63/924282863.db2.gz JYCLAFGWNLRUOU-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001394167448 924289982 /nfs/dbraw/zinc/28/99/82/924289982.db2.gz WOVRVJIARDACJO-QWHCGFSZSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001394167448 924289992 /nfs/dbraw/zinc/28/99/92/924289992.db2.gz WOVRVJIARDACJO-QWHCGFSZSA-N 2 2 315.414 -1.502 20 0 DAADLP CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001394321113 924297034 /nfs/dbraw/zinc/29/70/34/924297034.db2.gz BBJYSWIITYJWAB-GHMZBOCLSA-N 2 2 309.370 -1.096 20 0 DAADLP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394572136 924311327 /nfs/dbraw/zinc/31/13/27/924311327.db2.gz OHSNNZHUSDUPQR-YPMHNXCESA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394572136 924311335 /nfs/dbraw/zinc/31/13/35/924311335.db2.gz OHSNNZHUSDUPQR-YPMHNXCESA-N 2 2 311.386 -1.683 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575634 924313268 /nfs/dbraw/zinc/31/32/68/924313268.db2.gz YYTAWELYNWPCGF-NWDGAFQWSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575634 924313276 /nfs/dbraw/zinc/31/32/76/924313276.db2.gz YYTAWELYNWPCGF-NWDGAFQWSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573725 924314090 /nfs/dbraw/zinc/31/40/90/924314090.db2.gz UGYCFUWJKDOYNJ-KGLIPLIRSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573725 924314096 /nfs/dbraw/zinc/31/40/96/924314096.db2.gz UGYCFUWJKDOYNJ-KGLIPLIRSA-N 2 2 308.382 -1.021 20 0 DAADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001394584161 924321825 /nfs/dbraw/zinc/32/18/25/924321825.db2.gz PZXKDIFTCXPVBZ-JTQLQIEISA-N 2 2 314.411 -1.025 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001394587228 924324834 /nfs/dbraw/zinc/32/48/34/924324834.db2.gz OKAYMIGXQDRXRX-OLZOCXBDSA-N 2 2 322.413 -1.276 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001394611159 924337938 /nfs/dbraw/zinc/33/79/38/924337938.db2.gz SMGYUIFQLCJBIC-LLVKDONJSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001394611159 924337947 /nfs/dbraw/zinc/33/79/47/924337947.db2.gz SMGYUIFQLCJBIC-LLVKDONJSA-N 2 2 310.402 -1.134 20 0 DAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C2 ZINC001394637569 924349163 /nfs/dbraw/zinc/34/91/63/924349163.db2.gz QJMVUSYQBASSFH-QWRGUYRKSA-N 2 2 309.370 -1.694 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001394649134 924353227 /nfs/dbraw/zinc/35/32/27/924353227.db2.gz UURKKWONULJHKW-MNOVXSKESA-N 2 2 319.369 -1.202 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001394649709 924355704 /nfs/dbraw/zinc/35/57/04/924355704.db2.gz SOMAWRNMXQMRDT-JQWIXIFHSA-N 2 2 323.397 -1.006 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001394700414 924360688 /nfs/dbraw/zinc/36/06/88/924360688.db2.gz JNUIDSNSGNHSNV-QWRGUYRKSA-N 2 2 322.369 -1.048 20 0 DAADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001394710388 924363896 /nfs/dbraw/zinc/36/38/96/924363896.db2.gz LARRCRAOJVYLMF-VIFPVBQESA-N 2 2 322.369 -1.026 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001394789695 924391700 /nfs/dbraw/zinc/39/17/00/924391700.db2.gz PMLJPAUGWQTOIS-VXGBXAGGSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001394789695 924391708 /nfs/dbraw/zinc/39/17/08/924391708.db2.gz PMLJPAUGWQTOIS-VXGBXAGGSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001394789695 924391718 /nfs/dbraw/zinc/39/17/18/924391718.db2.gz PMLJPAUGWQTOIS-VXGBXAGGSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001394789695 924391729 /nfs/dbraw/zinc/39/17/29/924391729.db2.gz PMLJPAUGWQTOIS-VXGBXAGGSA-N 2 2 300.403 -1.293 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001395732458 924454864 /nfs/dbraw/zinc/45/48/64/924454864.db2.gz HFNACIJSCBRQQU-GFCCVEGCSA-N 2 2 309.370 -1.359 20 0 DAADLP C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001395748567 924461914 /nfs/dbraw/zinc/46/19/14/924461914.db2.gz PFFSIIZWMQLQSS-LBPRGKRZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001395748567 924461922 /nfs/dbraw/zinc/46/19/22/924461922.db2.gz PFFSIIZWMQLQSS-LBPRGKRZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001395756766 924464574 /nfs/dbraw/zinc/46/45/74/924464574.db2.gz VNOZNSJCLCTFTN-LBPRGKRZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817071 924486341 /nfs/dbraw/zinc/48/63/41/924486341.db2.gz JMKFUCWYEMTZSV-CMPLNLGQSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817071 924486344 /nfs/dbraw/zinc/48/63/44/924486344.db2.gz JMKFUCWYEMTZSV-CMPLNLGQSA-N 2 2 309.370 -1.503 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001396389148 924517985 /nfs/dbraw/zinc/51/79/85/924517985.db2.gz NGKZODFANUPEAI-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001396389148 924517995 /nfs/dbraw/zinc/51/79/95/924517995.db2.gz NGKZODFANUPEAI-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)NC(N)=O ZINC001397256057 924567929 /nfs/dbraw/zinc/56/79/29/924567929.db2.gz ODFNRWNLUBHZPH-MNOVXSKESA-N 2 2 323.397 -1.144 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NC(N)=O ZINC001397256057 924567934 /nfs/dbraw/zinc/56/79/34/924567934.db2.gz ODFNRWNLUBHZPH-MNOVXSKESA-N 2 2 323.397 -1.144 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001398332941 924637591 /nfs/dbraw/zinc/63/75/91/924637591.db2.gz TWANAZGHGMNNKQ-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001398332941 924637599 /nfs/dbraw/zinc/63/75/99/924637599.db2.gz TWANAZGHGMNNKQ-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001398332941 924637606 /nfs/dbraw/zinc/63/76/06/924637606.db2.gz TWANAZGHGMNNKQ-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001398332941 924637611 /nfs/dbraw/zinc/63/76/11/924637611.db2.gz TWANAZGHGMNNKQ-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849208 924745256 /nfs/dbraw/zinc/74/52/56/924745256.db2.gz KEMWWHQHSDNJHV-WDEREUQCSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849208 924745265 /nfs/dbraw/zinc/74/52/65/924745265.db2.gz KEMWWHQHSDNJHV-WDEREUQCSA-N 2 2 309.370 -1.503 20 0 DAADLP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)CC(=O)NC(N)=O ZINC001399983973 924763590 /nfs/dbraw/zinc/76/35/90/924763590.db2.gz YCHXVHNNANFWHI-UHFFFAOYSA-N 2 2 324.385 -1.014 20 0 DAADLP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)CC(=O)NC(N)=O ZINC001399983973 924763598 /nfs/dbraw/zinc/76/35/98/924763598.db2.gz YCHXVHNNANFWHI-UHFFFAOYSA-N 2 2 324.385 -1.014 20 0 DAADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001400632903 924817718 /nfs/dbraw/zinc/81/77/18/924817718.db2.gz ZJOJMPWIMXCMLU-LBPRGKRZSA-N 2 2 318.443 -1.178 20 0 DAADLP CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001400632903 924817725 /nfs/dbraw/zinc/81/77/25/924817725.db2.gz ZJOJMPWIMXCMLU-LBPRGKRZSA-N 2 2 318.443 -1.178 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400742030 924827753 /nfs/dbraw/zinc/82/77/53/924827753.db2.gz RVXVLZFNJCHCOW-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400742030 924827761 /nfs/dbraw/zinc/82/77/61/924827761.db2.gz RVXVLZFNJCHCOW-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400739687 924828763 /nfs/dbraw/zinc/82/87/63/924828763.db2.gz OOMWSQIZFMHDQN-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400739687 924828772 /nfs/dbraw/zinc/82/87/72/924828772.db2.gz OOMWSQIZFMHDQN-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400742028 924829160 /nfs/dbraw/zinc/82/91/60/924829160.db2.gz RVXVLZFNJCHCOW-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400742028 924829169 /nfs/dbraw/zinc/82/91/69/924829169.db2.gz RVXVLZFNJCHCOW-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001401169122 924847695 /nfs/dbraw/zinc/84/76/95/924847695.db2.gz NHYUJIKKCAVLRS-CYBMUJFWSA-N 2 2 301.387 -1.482 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001401169122 924847709 /nfs/dbraw/zinc/84/77/09/924847709.db2.gz NHYUJIKKCAVLRS-CYBMUJFWSA-N 2 2 301.387 -1.482 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001401500502 924869419 /nfs/dbraw/zinc/86/94/19/924869419.db2.gz DIANRLLGCLFWBF-DGCLKSJQSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001401500502 924869424 /nfs/dbraw/zinc/86/94/24/924869424.db2.gz DIANRLLGCLFWBF-DGCLKSJQSA-N 2 2 312.370 -1.120 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001401546199 924881364 /nfs/dbraw/zinc/88/13/64/924881364.db2.gz TWFIZLJREPUXGZ-CMPLNLGQSA-N 2 2 309.370 -1.742 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)c[nH+]1 ZINC001401548617 924884742 /nfs/dbraw/zinc/88/47/42/924884742.db2.gz YLMMSINDYGSVIP-RYUDHWBXSA-N 2 2 323.397 -1.118 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401561397 924890977 /nfs/dbraw/zinc/89/09/77/924890977.db2.gz UAWZQOGBDNZYQB-CYBMUJFWSA-N 2 2 323.397 -1.038 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401574080 924896170 /nfs/dbraw/zinc/89/61/70/924896170.db2.gz XMAPFXUYMZEDHQ-LBPRGKRZSA-N 2 2 323.397 -1.050 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401574075 924897565 /nfs/dbraw/zinc/89/75/65/924897565.db2.gz XMAPFXUYMZEDHQ-GFCCVEGCSA-N 2 2 323.397 -1.050 20 0 DAADLP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)cc1=O ZINC001401583621 924901419 /nfs/dbraw/zinc/90/14/19/924901419.db2.gz ZXHQHKUIUPKURT-LBPRGKRZSA-N 2 2 319.365 -1.082 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C(=O)NC1CC1 ZINC001401590739 924903483 /nfs/dbraw/zinc/90/34/83/924903483.db2.gz WLIPMCLCMGJRCE-ZWNOBZJWSA-N 2 2 323.397 -1.304 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001401589096 924904472 /nfs/dbraw/zinc/90/44/72/924904472.db2.gz UBJUKPUDKXHQMA-GFCCVEGCSA-N 2 2 306.370 -1.037 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001401639500 924910538 /nfs/dbraw/zinc/91/05/38/924910538.db2.gz YVSTUGVMJRMTCV-SECBINFHSA-N 2 2 307.358 -1.092 20 0 DAADLP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1c[nH+]cn1C ZINC001401655559 924910641 /nfs/dbraw/zinc/91/06/41/924910641.db2.gz YPEUMZRADDGXIJ-GFCCVEGCSA-N 2 2 323.397 -1.084 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001401957488 924937736 /nfs/dbraw/zinc/93/77/36/924937736.db2.gz LVCGZMSWZQJHKC-UHFFFAOYSA-N 2 2 322.369 -1.033 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402062742 924942665 /nfs/dbraw/zinc/94/26/65/924942665.db2.gz SHPHJARISJQQLL-SNVBAGLBSA-N 2 2 308.342 -1.272 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402234909 924952995 /nfs/dbraw/zinc/95/29/95/924952995.db2.gz VYYSTRBSHSHDSZ-MNOVXSKESA-N 2 2 323.397 -1.144 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402234909 924953001 /nfs/dbraw/zinc/95/30/01/924953001.db2.gz VYYSTRBSHSHDSZ-MNOVXSKESA-N 2 2 323.397 -1.144 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402234921 924953128 /nfs/dbraw/zinc/95/31/28/924953128.db2.gz VYYSTRBSHSHDSZ-WDEREUQCSA-N 2 2 323.397 -1.144 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402234921 924953132 /nfs/dbraw/zinc/95/31/32/924953132.db2.gz VYYSTRBSHSHDSZ-WDEREUQCSA-N 2 2 323.397 -1.144 20 0 DAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001402355542 924985925 /nfs/dbraw/zinc/98/59/25/924985925.db2.gz HVNLQAOOWISZLJ-LBPRGKRZSA-N 2 2 315.414 -1.359 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001402477439 925004202 /nfs/dbraw/zinc/00/42/02/925004202.db2.gz UAVAOBBHAIXKDQ-LBPRGKRZSA-N 2 2 309.370 -1.738 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001402546230 925012101 /nfs/dbraw/zinc/01/21/01/925012101.db2.gz JFYGPHXTIVEEMW-OPRDCNLKSA-N 2 2 308.342 -1.297 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001402589813 925014269 /nfs/dbraw/zinc/01/42/69/925014269.db2.gz MYDFICBUHIXILH-AOOOYVTPSA-N 2 2 308.342 -1.295 20 0 DAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001402611833 925017173 /nfs/dbraw/zinc/01/71/73/925017173.db2.gz YZCQSEDOCVUXEF-YPMHNXCESA-N 2 2 321.381 -1.252 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402611726 925017355 /nfs/dbraw/zinc/01/73/55/925017355.db2.gz XETZBFGLPNQSGR-CMPLNLGQSA-N 2 2 309.370 -1.096 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001402604439 925017712 /nfs/dbraw/zinc/01/77/12/925017712.db2.gz QLRRVYAYJVCLBE-QWRGUYRKSA-N 2 2 309.370 -1.049 20 0 DAADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001402655003 925019183 /nfs/dbraw/zinc/01/91/83/925019183.db2.gz FDSANJHHUHFVLE-UHFFFAOYSA-N 2 2 300.403 -1.026 20 0 DAADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001402655003 925019194 /nfs/dbraw/zinc/01/91/94/925019194.db2.gz FDSANJHHUHFVLE-UHFFFAOYSA-N 2 2 300.403 -1.026 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001402736578 925028169 /nfs/dbraw/zinc/02/81/69/925028169.db2.gz SJVHBGZPAITWJO-AWEZNQCLSA-N 2 2 309.370 -1.609 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(CO)CC[NH+](CCCO)CC2)C1 ZINC001402866103 925035450 /nfs/dbraw/zinc/03/54/50/925035450.db2.gz VEICIFYTFHMJMY-CYBMUJFWSA-N 2 2 315.414 -1.358 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC2(CO)CC[NH+](CCCO)CC2)C1 ZINC001402866103 925035459 /nfs/dbraw/zinc/03/54/59/925035459.db2.gz VEICIFYTFHMJMY-CYBMUJFWSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+](C)CCCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001402885278 925038670 /nfs/dbraw/zinc/03/86/70/925038670.db2.gz UUGQSYFLSQGNEC-UHFFFAOYSA-N 2 2 300.403 -1.243 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001402903372 925040586 /nfs/dbraw/zinc/04/05/86/925040586.db2.gz HFPPREJQLTVNJT-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001402903372 925040596 /nfs/dbraw/zinc/04/05/96/925040596.db2.gz HFPPREJQLTVNJT-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001402903378 925041066 /nfs/dbraw/zinc/04/10/66/925041066.db2.gz HFPPREJQLTVNJT-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001402903378 925041076 /nfs/dbraw/zinc/04/10/76/925041076.db2.gz HFPPREJQLTVNJT-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(=O)NC(N)=O ZINC001402936787 925043631 /nfs/dbraw/zinc/04/36/31/925043631.db2.gz KCUQAZIWMMJEBU-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001403064148 925049111 /nfs/dbraw/zinc/04/91/11/925049111.db2.gz YGFGWIXQFWDEHX-DTWKUNHWSA-N 2 2 310.358 -1.109 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N1CCOCC1 ZINC001403090225 925051323 /nfs/dbraw/zinc/05/13/23/925051323.db2.gz WXXXPWOEEPUAFT-LBPRGKRZSA-N 2 2 323.397 -1.084 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403529750 925080851 /nfs/dbraw/zinc/08/08/51/925080851.db2.gz HTLKSSYGARWFIC-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403529750 925080858 /nfs/dbraw/zinc/08/08/58/925080858.db2.gz HTLKSSYGARWFIC-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403529750 925080864 /nfs/dbraw/zinc/08/08/64/925080864.db2.gz HTLKSSYGARWFIC-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403529750 925080873 /nfs/dbraw/zinc/08/08/73/925080873.db2.gz HTLKSSYGARWFIC-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403644371 925094595 /nfs/dbraw/zinc/09/45/95/925094595.db2.gz GFSKBSNPEGVWHS-NWDGAFQWSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403644371 925094603 /nfs/dbraw/zinc/09/46/03/925094603.db2.gz GFSKBSNPEGVWHS-NWDGAFQWSA-N 2 2 310.402 -1.041 20 0 DAADLP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(=O)NC(N)=O ZINC001403724514 925130000 /nfs/dbraw/zinc/13/00/00/925130000.db2.gz ZGSYYSMSSUDOPH-UHFFFAOYSA-N 2 2 315.374 -2.048 20 0 DAADLP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(=O)NC(N)=O ZINC001403724514 925130006 /nfs/dbraw/zinc/13/00/06/925130006.db2.gz ZGSYYSMSSUDOPH-UHFFFAOYSA-N 2 2 315.374 -2.048 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC001403733590 925133360 /nfs/dbraw/zinc/13/33/60/925133360.db2.gz BEDNWRHRYVELTI-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001403758519 925138845 /nfs/dbraw/zinc/13/88/45/925138845.db2.gz XBIFUFBNXANFIO-NWDGAFQWSA-N 2 2 319.369 -1.271 20 0 DAADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001403766300 925140297 /nfs/dbraw/zinc/14/02/97/925140297.db2.gz MUGQGBYWXKLHQL-GFCCVEGCSA-N 2 2 300.403 -1.251 20 0 DAADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001403766300 925140302 /nfs/dbraw/zinc/14/03/02/925140302.db2.gz MUGQGBYWXKLHQL-GFCCVEGCSA-N 2 2 300.403 -1.251 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)N(C)C ZINC001403845965 925151405 /nfs/dbraw/zinc/15/14/05/925151405.db2.gz RDDKTLSCHVBTFN-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)N(C)C ZINC001403845965 925151413 /nfs/dbraw/zinc/15/14/13/925151413.db2.gz RDDKTLSCHVBTFN-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)N(C)C ZINC001403845965 925151420 /nfs/dbraw/zinc/15/14/20/925151420.db2.gz RDDKTLSCHVBTFN-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)N(C)C ZINC001403845965 925151426 /nfs/dbraw/zinc/15/14/26/925151426.db2.gz RDDKTLSCHVBTFN-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001403856955 925155378 /nfs/dbraw/zinc/15/53/78/925155378.db2.gz SOSSAUKCOINDMR-CMPLNLGQSA-N 2 2 309.370 -1.660 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403864988 925158475 /nfs/dbraw/zinc/15/84/75/925158475.db2.gz CHSPURUHTZQFAL-GFCCVEGCSA-N 2 2 311.386 -1.114 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403877022 925159282 /nfs/dbraw/zinc/15/92/82/925159282.db2.gz NLWOENTXORFYKV-NSHDSACASA-N 2 2 311.386 -1.161 20 0 DAADLP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)Cn1cc[nH+]c1 ZINC001403883873 925162454 /nfs/dbraw/zinc/16/24/54/925162454.db2.gz PWNXTOXJENEGBS-LBPRGKRZSA-N 2 2 307.358 -1.379 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001403896672 925167583 /nfs/dbraw/zinc/16/75/83/925167583.db2.gz LFQICLBBFFOCHD-OLZOCXBDSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001403896672 925167588 /nfs/dbraw/zinc/16/75/88/925167588.db2.gz LFQICLBBFFOCHD-OLZOCXBDSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001403897415 925168572 /nfs/dbraw/zinc/16/85/72/925168572.db2.gz DIOWEHQJXLNJDL-YPMHNXCESA-N 2 2 323.397 -1.100 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001403897415 925168579 /nfs/dbraw/zinc/16/85/79/925168579.db2.gz DIOWEHQJXLNJDL-YPMHNXCESA-N 2 2 323.397 -1.100 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403906341 925169648 /nfs/dbraw/zinc/16/96/48/925169648.db2.gz MOEFOBJAJJUGOU-MNOVXSKESA-N 2 2 311.386 -1.114 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403906341 925169653 /nfs/dbraw/zinc/16/96/53/925169653.db2.gz MOEFOBJAJJUGOU-MNOVXSKESA-N 2 2 311.386 -1.114 20 0 DAADLP CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403915520 925173059 /nfs/dbraw/zinc/17/30/59/925173059.db2.gz HSHRTNWLGRTTSV-JQWIXIFHSA-N 2 2 311.386 -1.162 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403915520 925173065 /nfs/dbraw/zinc/17/30/65/925173065.db2.gz HSHRTNWLGRTTSV-JQWIXIFHSA-N 2 2 311.386 -1.162 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404105307 925182473 /nfs/dbraw/zinc/18/24/73/925182473.db2.gz RBMJHLJZAKQYTG-LLVKDONJSA-N 2 2 322.369 -1.223 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404105307 925182474 /nfs/dbraw/zinc/18/24/74/925182474.db2.gz RBMJHLJZAKQYTG-LLVKDONJSA-N 2 2 322.369 -1.223 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001404713685 925211432 /nfs/dbraw/zinc/21/14/32/925211432.db2.gz UTKXCNZPLHVBLB-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001404713685 925211436 /nfs/dbraw/zinc/21/14/36/925211436.db2.gz UTKXCNZPLHVBLB-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001404875965 925222100 /nfs/dbraw/zinc/22/21/00/925222100.db2.gz NPLDAFVRMJGEFN-KOLCDFICSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001404875965 925222109 /nfs/dbraw/zinc/22/21/09/925222109.db2.gz NPLDAFVRMJGEFN-KOLCDFICSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001404875961 925222319 /nfs/dbraw/zinc/22/23/19/925222319.db2.gz NPLDAFVRMJGEFN-GXSJLCMTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001404875961 925222330 /nfs/dbraw/zinc/22/23/30/925222330.db2.gz NPLDAFVRMJGEFN-GXSJLCMTSA-N 2 2 311.386 -1.288 20 0 DAADLP CC(C)[C@@H](C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001404926506 925224325 /nfs/dbraw/zinc/22/43/25/925224325.db2.gz ZIASAIOEUVHNJW-LBPRGKRZSA-N 2 2 313.402 -1.185 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001405041432 925234945 /nfs/dbraw/zinc/23/49/45/925234945.db2.gz SSJLAFFLDNHBRH-QWRGUYRKSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001405041432 925234955 /nfs/dbraw/zinc/23/49/55/925234955.db2.gz SSJLAFFLDNHBRH-QWRGUYRKSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001405041432 925234961 /nfs/dbraw/zinc/23/49/61/925234961.db2.gz SSJLAFFLDNHBRH-QWRGUYRKSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001405041432 925234967 /nfs/dbraw/zinc/23/49/67/925234967.db2.gz SSJLAFFLDNHBRH-QWRGUYRKSA-N 2 2 311.386 -1.416 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405149300 925243542 /nfs/dbraw/zinc/24/35/42/925243542.db2.gz ZTEDLFBDFXICIB-LLVKDONJSA-N 2 2 311.386 -1.190 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405149300 925243549 /nfs/dbraw/zinc/24/35/49/925243549.db2.gz ZTEDLFBDFXICIB-LLVKDONJSA-N 2 2 311.386 -1.190 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334839 925290572 /nfs/dbraw/zinc/29/05/72/925290572.db2.gz LRFLZORHFCWSLI-NWDGAFQWSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334839 925290581 /nfs/dbraw/zinc/29/05/81/925290581.db2.gz LRFLZORHFCWSLI-NWDGAFQWSA-N 2 2 323.397 -1.113 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001405342296 925292618 /nfs/dbraw/zinc/29/26/18/925292618.db2.gz KOSFKYPLPPCYFK-YPMHNXCESA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001405342296 925292623 /nfs/dbraw/zinc/29/26/23/925292623.db2.gz KOSFKYPLPPCYFK-YPMHNXCESA-N 2 2 323.397 -1.052 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001405399749 925308601 /nfs/dbraw/zinc/30/86/01/925308601.db2.gz POTPHSRPBBOYGP-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001405399749 925308608 /nfs/dbraw/zinc/30/86/08/925308608.db2.gz POTPHSRPBBOYGP-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001405435266 925309115 /nfs/dbraw/zinc/30/91/15/925309115.db2.gz HKQJNGRMYHRDJM-IUODEOHRSA-N 2 2 312.414 -1.063 20 0 DAADLP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001405435266 925309124 /nfs/dbraw/zinc/30/91/24/925309124.db2.gz HKQJNGRMYHRDJM-IUODEOHRSA-N 2 2 312.414 -1.063 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001406083211 925343470 /nfs/dbraw/zinc/34/34/70/925343470.db2.gz JPBMAMGDJIHPTL-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001406083211 925343479 /nfs/dbraw/zinc/34/34/79/925343479.db2.gz JPBMAMGDJIHPTL-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406083211 925343489 /nfs/dbraw/zinc/34/34/89/925343489.db2.gz JPBMAMGDJIHPTL-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406083211 925343501 /nfs/dbraw/zinc/34/35/01/925343501.db2.gz JPBMAMGDJIHPTL-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406223251 925361129 /nfs/dbraw/zinc/36/11/29/925361129.db2.gz YIQXOTUACPNPCU-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406223251 925361140 /nfs/dbraw/zinc/36/11/40/925361140.db2.gz YIQXOTUACPNPCU-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406223261 925361527 /nfs/dbraw/zinc/36/15/27/925361527.db2.gz YIQXOTUACPNPCU-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406223261 925361537 /nfs/dbraw/zinc/36/15/37/925361537.db2.gz YIQXOTUACPNPCU-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001406234325 925367754 /nfs/dbraw/zinc/36/77/54/925367754.db2.gz NTIDGOBMTHCNQO-ZYHUDNBSSA-N 2 2 323.397 -1.298 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001406234307 925367827 /nfs/dbraw/zinc/36/78/27/925367827.db2.gz NTIDGOBMTHCNQO-PWSUYJOCSA-N 2 2 323.397 -1.298 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001406234291 925368462 /nfs/dbraw/zinc/36/84/62/925368462.db2.gz NTIDGOBMTHCNQO-JQWIXIFHSA-N 2 2 323.397 -1.298 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001406247860 925374806 /nfs/dbraw/zinc/37/48/06/925374806.db2.gz QWODOEUTXDFYMQ-HBNTYKKESA-N 2 2 309.370 -1.332 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001406247843 925375997 /nfs/dbraw/zinc/37/59/97/925375997.db2.gz QWODOEUTXDFYMQ-GMTAPVOTSA-N 2 2 309.370 -1.332 20 0 DAADLP O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)c1cccc2[nH+]ccn21 ZINC001406252523 925378143 /nfs/dbraw/zinc/37/81/43/925378143.db2.gz XYOOUPADEWRBDE-MNOVXSKESA-N 2 2 317.349 -1.097 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001406272012 925387135 /nfs/dbraw/zinc/38/71/35/925387135.db2.gz CPDABAOJRVNSAT-NWDGAFQWSA-N 2 2 323.397 -1.052 20 0 DAADLP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001406322086 925401189 /nfs/dbraw/zinc/40/11/89/925401189.db2.gz BHIUNNXMWNVLOV-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001406387838 925409423 /nfs/dbraw/zinc/40/94/23/925409423.db2.gz YVWMYNPMYDHMFL-OLZOCXBDSA-N 2 2 323.397 -1.020 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001406387838 925409430 /nfs/dbraw/zinc/40/94/30/925409430.db2.gz YVWMYNPMYDHMFL-OLZOCXBDSA-N 2 2 323.397 -1.020 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001407382365 925476940 /nfs/dbraw/zinc/47/69/40/925476940.db2.gz GYOUACALUSUEPP-DOMZBBRYSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001407382365 925476947 /nfs/dbraw/zinc/47/69/47/925476947.db2.gz GYOUACALUSUEPP-DOMZBBRYSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001407382365 925476954 /nfs/dbraw/zinc/47/69/54/925476954.db2.gz GYOUACALUSUEPP-DOMZBBRYSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001407382365 925476960 /nfs/dbraw/zinc/47/69/60/925476960.db2.gz GYOUACALUSUEPP-DOMZBBRYSA-N 2 2 322.413 -1.180 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001407389543 925478670 /nfs/dbraw/zinc/47/86/70/925478670.db2.gz VYQSWUNOOIMAPS-WFASDCNBSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001407389543 925478674 /nfs/dbraw/zinc/47/86/74/925478674.db2.gz VYQSWUNOOIMAPS-WFASDCNBSA-N 2 2 308.382 -1.009 20 0 DAADLP C[N@H+](CC(=O)N[C@@]1(CO)CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001407655035 925514078 /nfs/dbraw/zinc/51/40/78/925514078.db2.gz VGSQRNFIKNJMQX-HNNXBMFYSA-N 2 2 312.414 -1.101 20 0 DAADLP C[N@@H+](CC(=O)N[C@@]1(CO)CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001407655035 925514083 /nfs/dbraw/zinc/51/40/83/925514083.db2.gz VGSQRNFIKNJMQX-HNNXBMFYSA-N 2 2 312.414 -1.101 20 0 DAADLP C[NH+](CC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001407655035 925514093 /nfs/dbraw/zinc/51/40/93/925514093.db2.gz VGSQRNFIKNJMQX-HNNXBMFYSA-N 2 2 312.414 -1.101 20 0 DAADLP C[NH+](CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001407655035 925514095 /nfs/dbraw/zinc/51/40/95/925514095.db2.gz VGSQRNFIKNJMQX-HNNXBMFYSA-N 2 2 312.414 -1.101 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001407648840 925514225 /nfs/dbraw/zinc/51/42/25/925514225.db2.gz BPDDCEJEGVSJOZ-NSHDSACASA-N 2 2 311.386 -1.161 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001407659650 925516318 /nfs/dbraw/zinc/51/63/18/925516318.db2.gz NGIHNHHPPLLZKA-CYBMUJFWSA-N 2 2 323.397 -1.348 20 0 DAADLP CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001407669928 925517264 /nfs/dbraw/zinc/51/72/64/925517264.db2.gz XVMAPHVHPGHNLT-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407854361 925531535 /nfs/dbraw/zinc/53/15/35/925531535.db2.gz PYIIFRVFYPKFBX-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001409897282 925655393 /nfs/dbraw/zinc/65/53/93/925655393.db2.gz CMRZWDMESHYREB-JTQLQIEISA-N 2 2 313.402 -1.040 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001410227647 925704898 /nfs/dbraw/zinc/70/48/98/925704898.db2.gz QBURDDHVODQCPO-MGCOHNPYSA-N 2 2 322.369 -1.108 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001410729340 925768809 /nfs/dbraw/zinc/76/88/09/925768809.db2.gz NTAKNKLODZRWHX-DGCLKSJQSA-N 2 2 312.418 -1.032 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001410780994 925780581 /nfs/dbraw/zinc/78/05/81/925780581.db2.gz NDYLRJJAJSSEII-NSHDSACASA-N 2 2 321.385 -1.252 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001410784867 925782433 /nfs/dbraw/zinc/78/24/33/925782433.db2.gz JWYRNSVYJMVSKO-LLVKDONJSA-N 2 2 307.358 -1.413 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001410807471 925784232 /nfs/dbraw/zinc/78/42/32/925784232.db2.gz XWYUTYKOSMVPLE-DGCLKSJQSA-N 2 2 312.418 -1.032 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001410793982 925784921 /nfs/dbraw/zinc/78/49/21/925784921.db2.gz UXFDURQCWZDFEK-VHSXEESVSA-N 2 2 312.374 -2.373 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793982 925784928 /nfs/dbraw/zinc/78/49/28/925784928.db2.gz UXFDURQCWZDFEK-VHSXEESVSA-N 2 2 312.374 -2.373 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001410807475 925786384 /nfs/dbraw/zinc/78/63/84/925786384.db2.gz XWYUTYKOSMVPLE-WCQYABFASA-N 2 2 312.418 -1.032 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCCn1cc[nH+]c1 ZINC001411129713 925815252 /nfs/dbraw/zinc/81/52/52/925815252.db2.gz RIVWRZUFYOFRHY-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001411124117 925815276 /nfs/dbraw/zinc/81/52/76/925815276.db2.gz JGXRZUTTZCZQHV-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001411124076 925815429 /nfs/dbraw/zinc/81/54/29/925815429.db2.gz JCUGCDGORRTBTB-MNOVXSKESA-N 2 2 309.370 -1.408 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001411126093 925816182 /nfs/dbraw/zinc/81/61/82/925816182.db2.gz PRFZAKDNIOSGEP-LBPRGKRZSA-N 2 2 321.385 -1.002 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)C1 ZINC001411192302 925832264 /nfs/dbraw/zinc/83/22/64/925832264.db2.gz YVFLWPDICAVLNB-NEPJUHHUSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)C1 ZINC001411192302 925832271 /nfs/dbraw/zinc/83/22/71/925832271.db2.gz YVFLWPDICAVLNB-NEPJUHHUSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)C1 ZINC001411192302 925832278 /nfs/dbraw/zinc/83/22/78/925832278.db2.gz YVFLWPDICAVLNB-NEPJUHHUSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)C1 ZINC001411192302 925832282 /nfs/dbraw/zinc/83/22/82/925832282.db2.gz YVFLWPDICAVLNB-NEPJUHHUSA-N 2 2 316.402 -2.057 20 0 DAADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411245865 925835757 /nfs/dbraw/zinc/83/57/57/925835757.db2.gz BANMOEKKEMOWIV-UHFFFAOYSA-N 2 2 308.342 -1.274 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001412803587 925952941 /nfs/dbraw/zinc/95/29/41/925952941.db2.gz SDBDSYQLCYUDLM-YPMHNXCESA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001412803587 925952954 /nfs/dbraw/zinc/95/29/54/925952954.db2.gz SDBDSYQLCYUDLM-YPMHNXCESA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001412802613 925953862 /nfs/dbraw/zinc/95/38/62/925953862.db2.gz SDBDSYQLCYUDLM-AAEUAGOBSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001412802613 925953871 /nfs/dbraw/zinc/95/38/71/925953871.db2.gz SDBDSYQLCYUDLM-AAEUAGOBSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001412905055 925980076 /nfs/dbraw/zinc/98/00/76/925980076.db2.gz HUOQCAUDNOOONE-AAEUAGOBSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001412905055 925980082 /nfs/dbraw/zinc/98/00/82/925980082.db2.gz HUOQCAUDNOOONE-AAEUAGOBSA-N 2 2 323.397 -1.350 20 0 DAADLP CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341240 926039034 /nfs/dbraw/zinc/03/90/34/926039034.db2.gz QCNYFNWFNYFQHD-WCQYABFASA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341240 926039042 /nfs/dbraw/zinc/03/90/42/926039042.db2.gz QCNYFNWFNYFQHD-WCQYABFASA-N 2 2 323.397 -1.161 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040683 926099656 /nfs/dbraw/zinc/09/96/56/926099656.db2.gz VPAGAZFPGRXQSI-OLZOCXBDSA-N 2 2 323.459 -1.203 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040683 926099665 /nfs/dbraw/zinc/09/96/65/926099665.db2.gz VPAGAZFPGRXQSI-OLZOCXBDSA-N 2 2 323.459 -1.203 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040683 926099673 /nfs/dbraw/zinc/09/96/73/926099673.db2.gz VPAGAZFPGRXQSI-OLZOCXBDSA-N 2 2 323.459 -1.203 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040683 926099680 /nfs/dbraw/zinc/09/96/80/926099680.db2.gz VPAGAZFPGRXQSI-OLZOCXBDSA-N 2 2 323.459 -1.203 20 0 DAADLP C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001414320807 926117503 /nfs/dbraw/zinc/11/75/03/926117503.db2.gz FYEZGGMNLZHKMM-ZDUSSCGKSA-N 2 2 320.459 -1.133 20 0 DAADLP CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001416766954 926269205 /nfs/dbraw/zinc/26/92/05/926269205.db2.gz BFQOEGLWUYIIRV-VXGBXAGGSA-N 2 2 311.386 -1.114 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001417779889 926337497 /nfs/dbraw/zinc/33/74/97/926337497.db2.gz PPOBRARGBLYOSZ-GARJFASQSA-N 2 2 322.369 -1.049 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](CCO)CC(N)=O)C1 ZINC001417833597 926341210 /nfs/dbraw/zinc/34/12/10/926341210.db2.gz JUEFRSLZHKJRMX-QWHCGFSZSA-N 2 2 312.414 -1.149 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](CCO)CC(N)=O)C1 ZINC001417833597 926341216 /nfs/dbraw/zinc/34/12/16/926341216.db2.gz JUEFRSLZHKJRMX-QWHCGFSZSA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417833597 926341226 /nfs/dbraw/zinc/34/12/26/926341226.db2.gz JUEFRSLZHKJRMX-QWHCGFSZSA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417833597 926341235 /nfs/dbraw/zinc/34/12/35/926341235.db2.gz JUEFRSLZHKJRMX-QWHCGFSZSA-N 2 2 312.414 -1.149 20 0 DAADLP CC[C@@H](C(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001417927844 926348819 /nfs/dbraw/zinc/34/88/19/926348819.db2.gz LHVVTOUOQNDEGE-STQMWFEESA-N 2 2 313.446 -1.066 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001417949404 926353244 /nfs/dbraw/zinc/35/32/44/926353244.db2.gz OVSWAMQYEXXLJT-MWLCHTKSSA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001417949404 926353254 /nfs/dbraw/zinc/35/32/54/926353254.db2.gz OVSWAMQYEXXLJT-MWLCHTKSSA-N 2 2 322.369 -1.035 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)C(=O)NC(N)=O ZINC001418109481 926366000 /nfs/dbraw/zinc/36/60/00/926366000.db2.gz KSGPCEXKDSWNIW-BBBLOLIVSA-N 2 2 322.369 -1.217 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(=O)NC(N)=O ZINC001418254437 926377426 /nfs/dbraw/zinc/37/74/26/926377426.db2.gz UUHDIOYGXHWBPV-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001418302951 926379692 /nfs/dbraw/zinc/37/96/92/926379692.db2.gz QXQXKTNFVDOQMK-RKDXNWHRSA-N 2 2 310.358 -1.360 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418294553 926379990 /nfs/dbraw/zinc/37/99/90/926379990.db2.gz YKCZCJCCXWNUQS-RKDXNWHRSA-N 2 2 310.358 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001418479420 926392498 /nfs/dbraw/zinc/39/24/98/926392498.db2.gz YGRJSOPSJPZABH-UHFFFAOYSA-N 2 2 310.358 -1.305 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001418479420 926392508 /nfs/dbraw/zinc/39/25/08/926392508.db2.gz YGRJSOPSJPZABH-UHFFFAOYSA-N 2 2 310.358 -1.305 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCNS(C)(=O)=O)C1 ZINC001418493960 926395599 /nfs/dbraw/zinc/39/55/99/926395599.db2.gz IWOMUUYSTGMQRD-GFCCVEGCSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCNS(C)(=O)=O)C1 ZINC001418493960 926395607 /nfs/dbraw/zinc/39/56/07/926395607.db2.gz IWOMUUYSTGMQRD-GFCCVEGCSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O)C1 ZINC001418493960 926395616 /nfs/dbraw/zinc/39/56/16/926395616.db2.gz IWOMUUYSTGMQRD-GFCCVEGCSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001418493960 926395620 /nfs/dbraw/zinc/39/56/20/926395620.db2.gz IWOMUUYSTGMQRD-GFCCVEGCSA-N 2 2 320.459 -1.075 20 0 DAADLP CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418915039 926431428 /nfs/dbraw/zinc/43/14/28/926431428.db2.gz HNAXTWBSSCSJEA-CYBMUJFWSA-N 2 2 311.430 -1.501 20 0 DAADLP CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418915039 926431435 /nfs/dbraw/zinc/43/14/35/926431435.db2.gz HNAXTWBSSCSJEA-CYBMUJFWSA-N 2 2 311.430 -1.501 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001418952175 926432202 /nfs/dbraw/zinc/43/22/02/926432202.db2.gz UTKXCNZPLHVBLB-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001418952175 926432206 /nfs/dbraw/zinc/43/22/06/926432206.db2.gz UTKXCNZPLHVBLB-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419039452 926446992 /nfs/dbraw/zinc/44/69/92/926446992.db2.gz YTYBQFUGSNHJNF-GXSJLCMTSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419039452 926446998 /nfs/dbraw/zinc/44/69/98/926446998.db2.gz YTYBQFUGSNHJNF-GXSJLCMTSA-N 2 2 311.386 -1.431 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419037133 926447139 /nfs/dbraw/zinc/44/71/39/926447139.db2.gz FHXVIURMGWRDIY-NSHDSACASA-N 2 2 311.386 -1.558 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419037133 926447147 /nfs/dbraw/zinc/44/71/47/926447147.db2.gz FHXVIURMGWRDIY-NSHDSACASA-N 2 2 311.386 -1.558 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419039456 926447333 /nfs/dbraw/zinc/44/73/33/926447333.db2.gz YTYBQFUGSNHJNF-ONGXEEELSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419039456 926447337 /nfs/dbraw/zinc/44/73/37/926447337.db2.gz YTYBQFUGSNHJNF-ONGXEEELSA-N 2 2 311.386 -1.431 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419038428 926447667 /nfs/dbraw/zinc/44/76/67/926447667.db2.gz UIXFGRPXCIZCLA-LBPRGKRZSA-N 2 2 312.414 -1.109 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001419050539 926449449 /nfs/dbraw/zinc/44/94/49/926449449.db2.gz PTJBNBTWSCSMFT-XDQVBPFNSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001419050539 926449455 /nfs/dbraw/zinc/44/94/55/926449455.db2.gz PTJBNBTWSCSMFT-XDQVBPFNSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419050539 926449459 /nfs/dbraw/zinc/44/94/59/926449459.db2.gz PTJBNBTWSCSMFT-XDQVBPFNSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419050539 926449462 /nfs/dbraw/zinc/44/94/62/926449462.db2.gz PTJBNBTWSCSMFT-XDQVBPFNSA-N 2 2 313.398 -1.391 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001419503931 926481636 /nfs/dbraw/zinc/48/16/36/926481636.db2.gz DMQHDBVLBZXYRI-AOOOYVTPSA-N 2 2 322.369 -1.345 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419564941 926487144 /nfs/dbraw/zinc/48/71/44/926487144.db2.gz GSVFHJAWQPIMEP-SNVBAGLBSA-N 2 2 322.369 -1.025 20 0 DAADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001419825824 926504335 /nfs/dbraw/zinc/50/43/35/926504335.db2.gz QOHLNZVRSSSVTB-QWRGUYRKSA-N 2 2 322.369 -1.095 20 0 DAADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001419825825 926504503 /nfs/dbraw/zinc/50/45/03/926504503.db2.gz QOHLNZVRSSSVTB-WDEREUQCSA-N 2 2 322.369 -1.095 20 0 DAADLP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001420083674 926520542 /nfs/dbraw/zinc/52/05/42/926520542.db2.gz XJMNIMWDNDPKGG-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001420083674 926520551 /nfs/dbraw/zinc/52/05/51/926520551.db2.gz XJMNIMWDNDPKGG-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420142592 926540931 /nfs/dbraw/zinc/54/09/31/926540931.db2.gz FHYRTXHFGBQJDO-VXGBXAGGSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001420142592 926540940 /nfs/dbraw/zinc/54/09/40/926540940.db2.gz FHYRTXHFGBQJDO-VXGBXAGGSA-N 2 2 310.402 -1.134 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001420151891 926543807 /nfs/dbraw/zinc/54/38/07/926543807.db2.gz WKUQIJSQDDPOJB-WCQYABFASA-N 2 2 323.397 -1.352 20 0 DAADLP CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001420179923 926553547 /nfs/dbraw/zinc/55/35/47/926553547.db2.gz QZJHJYFSTCKSCX-GFCCVEGCSA-N 2 2 309.370 -1.360 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001420180708 926553734 /nfs/dbraw/zinc/55/37/34/926553734.db2.gz BUGPQIBDOUFGMI-CYBMUJFWSA-N 2 2 323.397 -1.234 20 0 DAADLP CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001420190919 926558556 /nfs/dbraw/zinc/55/85/56/926558556.db2.gz GBLYCOOGJKNRAS-ZDUSSCGKSA-N 2 2 323.397 -1.350 20 0 DAADLP CN1CCC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001420195795 926560718 /nfs/dbraw/zinc/56/07/18/926560718.db2.gz LEYVVSUWCDHNKJ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001420195795 926560724 /nfs/dbraw/zinc/56/07/24/926560724.db2.gz LEYVVSUWCDHNKJ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001420195795 926560728 /nfs/dbraw/zinc/56/07/28/926560728.db2.gz LEYVVSUWCDHNKJ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001420195795 926560734 /nfs/dbraw/zinc/56/07/34/926560734.db2.gz LEYVVSUWCDHNKJ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001420207785 926565155 /nfs/dbraw/zinc/56/51/55/926565155.db2.gz ACMPJTGSDOUAKW-KOLCDFICSA-N 2 2 322.373 -1.457 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)nc1=O ZINC001420801623 926616936 /nfs/dbraw/zinc/61/69/36/926616936.db2.gz UYEJNQVAKNQVME-NSHDSACASA-N 2 2 319.369 -1.011 20 0 DAADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)C(=O)NC(N)=O ZINC001420991826 926631350 /nfs/dbraw/zinc/63/13/50/926631350.db2.gz BYPKXATXYOUQQE-SECBINFHSA-N 2 2 322.369 -1.216 20 0 DAADLP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)C(=O)NC(N)=O ZINC001420991827 926633053 /nfs/dbraw/zinc/63/30/53/926633053.db2.gz BYPKXATXYOUQQE-VIFPVBQESA-N 2 2 322.369 -1.216 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001421074167 926641642 /nfs/dbraw/zinc/64/16/42/926641642.db2.gz BYQFHUSOKMHQET-ZDUSSCGKSA-N 2 2 315.414 -1.095 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001421145188 926649841 /nfs/dbraw/zinc/64/98/41/926649841.db2.gz PYLNDNDLYRGGIK-SNVBAGLBSA-N 2 2 322.369 -1.177 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421184285 926651772 /nfs/dbraw/zinc/65/17/72/926651772.db2.gz BMCPXPGEQUVTRJ-JTQLQIEISA-N 2 2 311.386 -1.286 20 0 DAADLP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001421171511 926651994 /nfs/dbraw/zinc/65/19/94/926651994.db2.gz MXSDMLNPIOCEIO-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001421171511 926651999 /nfs/dbraw/zinc/65/19/99/926651999.db2.gz MXSDMLNPIOCEIO-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001421179644 926653040 /nfs/dbraw/zinc/65/30/40/926653040.db2.gz IOGPFXUEIPYVRO-JTQLQIEISA-N 2 2 323.397 -1.286 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421372854 926679756 /nfs/dbraw/zinc/67/97/56/926679756.db2.gz JSQZZPSLECAGAN-CQSZACIVSA-N 2 2 309.370 -1.509 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421372854 926679765 /nfs/dbraw/zinc/67/97/65/926679765.db2.gz JSQZZPSLECAGAN-CQSZACIVSA-N 2 2 309.370 -1.509 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421388473 926682958 /nfs/dbraw/zinc/68/29/58/926682958.db2.gz IDBGSVRWNBHITI-BXUZGUMPSA-N 2 2 307.354 -1.675 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421388473 926682967 /nfs/dbraw/zinc/68/29/67/926682967.db2.gz IDBGSVRWNBHITI-BXUZGUMPSA-N 2 2 307.354 -1.675 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421415119 926693175 /nfs/dbraw/zinc/69/31/75/926693175.db2.gz SOLOKALRDPEBFJ-SWLSCSKDSA-N 2 2 321.381 -1.596 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421415119 926693181 /nfs/dbraw/zinc/69/31/81/926693181.db2.gz SOLOKALRDPEBFJ-SWLSCSKDSA-N 2 2 321.381 -1.596 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421415116 926693348 /nfs/dbraw/zinc/69/33/48/926693348.db2.gz SOLOKALRDPEBFJ-IUODEOHRSA-N 2 2 321.381 -1.596 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421415116 926693353 /nfs/dbraw/zinc/69/33/53/926693353.db2.gz SOLOKALRDPEBFJ-IUODEOHRSA-N 2 2 321.381 -1.596 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001421490443 926717967 /nfs/dbraw/zinc/71/79/67/926717967.db2.gz IOWYGDSIQAFVOV-GFCCVEGCSA-N 2 2 313.398 -1.748 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001421631920 926737624 /nfs/dbraw/zinc/73/76/24/926737624.db2.gz ACPQKMPQAOTYEV-CYBMUJFWSA-N 2 2 323.397 -1.396 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001421645010 926740212 /nfs/dbraw/zinc/74/02/12/926740212.db2.gz NQMUBNYSBUFOTJ-ZDUSSCGKSA-N 2 2 323.397 -1.348 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674498 926743732 /nfs/dbraw/zinc/74/37/32/926743732.db2.gz ISLWIYAVKYVKGK-RYUDHWBXSA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674498 926743742 /nfs/dbraw/zinc/74/37/42/926743742.db2.gz ISLWIYAVKYVKGK-RYUDHWBXSA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001421813273 926763358 /nfs/dbraw/zinc/76/33/58/926763358.db2.gz CJUMVXKIJKFEMU-CMPLNLGQSA-N 2 2 309.370 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001422193605 926798029 /nfs/dbraw/zinc/79/80/29/926798029.db2.gz MKERLAYMGGGRFX-LBPRGKRZSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001422193605 926798038 /nfs/dbraw/zinc/79/80/38/926798038.db2.gz MKERLAYMGGGRFX-LBPRGKRZSA-N 2 2 312.414 -1.230 20 0 DAADLP C[C@@H]([NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001422288036 926815339 /nfs/dbraw/zinc/81/53/39/926815339.db2.gz JFOCSEWQCGOQDU-KPPDAEKUSA-N 2 2 322.369 -1.049 20 0 DAADLP O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC1CC1 ZINC001422309567 926821754 /nfs/dbraw/zinc/82/17/54/926821754.db2.gz FREVVQNIKFLOIC-IJLUTSLNSA-N 2 2 321.381 -1.142 20 0 DAADLP O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC1CC1 ZINC001422309580 926822607 /nfs/dbraw/zinc/82/26/07/926822607.db2.gz FREVVQNIKFLOIC-QJPTWQEYSA-N 2 2 321.381 -1.142 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001422325299 926830595 /nfs/dbraw/zinc/83/05/95/926830595.db2.gz DUVPNGKQJKNMDC-GFCCVEGCSA-N 2 2 307.358 -1.413 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001422355128 926847766 /nfs/dbraw/zinc/84/77/66/926847766.db2.gz VKTMCIDURYUHSG-SNVBAGLBSA-N 2 2 305.338 -1.011 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373403 926854610 /nfs/dbraw/zinc/85/46/10/926854610.db2.gz BXSKDZMPQZKKDC-ZYHUDNBSSA-N 2 2 311.386 -1.257 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373403 926854626 /nfs/dbraw/zinc/85/46/26/926854626.db2.gz BXSKDZMPQZKKDC-ZYHUDNBSSA-N 2 2 311.386 -1.257 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373399 926855521 /nfs/dbraw/zinc/85/55/21/926855521.db2.gz BXSKDZMPQZKKDC-PWSUYJOCSA-N 2 2 311.386 -1.257 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373399 926855530 /nfs/dbraw/zinc/85/55/30/926855530.db2.gz BXSKDZMPQZKKDC-PWSUYJOCSA-N 2 2 311.386 -1.257 20 0 DAADLP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001422398935 926864210 /nfs/dbraw/zinc/86/42/10/926864210.db2.gz UUKAOISJYPIKAR-NSHDSACASA-N 2 2 307.358 -1.170 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422487001 926876465 /nfs/dbraw/zinc/87/64/65/926876465.db2.gz MCYZQIXTJMEMJV-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422487001 926876475 /nfs/dbraw/zinc/87/64/75/926876475.db2.gz MCYZQIXTJMEMJV-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422487001 926876486 /nfs/dbraw/zinc/87/64/86/926876486.db2.gz MCYZQIXTJMEMJV-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422487001 926876500 /nfs/dbraw/zinc/87/65/00/926876500.db2.gz MCYZQIXTJMEMJV-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001422732892 926910559 /nfs/dbraw/zinc/91/05/59/926910559.db2.gz VOMQFQYSYDDRFE-VIFPVBQESA-N 2 2 310.358 -1.488 20 0 DAADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751351 926914067 /nfs/dbraw/zinc/91/40/67/926914067.db2.gz IMBHPSOZSACEGD-UWVGGRQHSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751351 926914074 /nfs/dbraw/zinc/91/40/74/926914074.db2.gz IMBHPSOZSACEGD-UWVGGRQHSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422760279 926914504 /nfs/dbraw/zinc/91/45/04/926914504.db2.gz LRGRZRIQODQGTB-NEPJUHHUSA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001422955600 926932974 /nfs/dbraw/zinc/93/29/74/926932974.db2.gz UBCJHWDHIKKMQE-UWVGGRQHSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001422955600 926932986 /nfs/dbraw/zinc/93/29/86/926932986.db2.gz UBCJHWDHIKKMQE-UWVGGRQHSA-N 2 2 310.358 -1.097 20 0 DAADLP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001423196176 926963691 /nfs/dbraw/zinc/96/36/91/926963691.db2.gz YQBOLGXEESRMOW-OLZOCXBDSA-N 2 2 314.430 -1.081 20 0 DAADLP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001423196176 926963701 /nfs/dbraw/zinc/96/37/01/926963701.db2.gz YQBOLGXEESRMOW-OLZOCXBDSA-N 2 2 314.430 -1.081 20 0 DAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001423209411 926970065 /nfs/dbraw/zinc/97/00/65/926970065.db2.gz IQHYBWOHBBJWMM-PWSUYJOCSA-N 2 2 323.397 -1.298 20 0 DAADLP O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001423212328 926974340 /nfs/dbraw/zinc/97/43/40/926974340.db2.gz AXTJTPSEMSGPQB-QJPTWQEYSA-N 2 2 319.369 -1.128 20 0 DAADLP O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001423212328 926974347 /nfs/dbraw/zinc/97/43/47/926974347.db2.gz AXTJTPSEMSGPQB-QJPTWQEYSA-N 2 2 319.369 -1.128 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001423225760 926982584 /nfs/dbraw/zinc/98/25/84/926982584.db2.gz KFBDGDQUJMWMKD-NSHDSACASA-N 2 2 311.386 -1.261 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001423230095 926987606 /nfs/dbraw/zinc/98/76/06/926987606.db2.gz MQHPPZNNHWLSSY-NEPJUHHUSA-N 2 2 323.397 -1.400 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001423271915 927008470 /nfs/dbraw/zinc/00/84/70/927008470.db2.gz QNWFEKUUVXKOFZ-ZYHUDNBSSA-N 2 2 313.406 -1.637 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001423291806 927014003 /nfs/dbraw/zinc/01/40/03/927014003.db2.gz VKDNBNDQYVWLKM-LLVKDONJSA-N 2 2 311.386 -1.194 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001423291808 927015886 /nfs/dbraw/zinc/01/58/86/927015886.db2.gz VKDNBNDQYVWLKM-NSHDSACASA-N 2 2 311.386 -1.194 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001423292122 927019935 /nfs/dbraw/zinc/01/99/35/927019935.db2.gz GZYNQMCDIYUBNF-ZYHUDNBSSA-N 2 2 309.370 -1.740 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001423302755 927021762 /nfs/dbraw/zinc/02/17/62/927021762.db2.gz MDPSHZSKPOWZHT-NSHDSACASA-N 2 2 309.370 -1.359 20 0 DAADLP C[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)C(=O)NC(N)=O ZINC001423312678 927029743 /nfs/dbraw/zinc/02/97/43/927029743.db2.gz MTFFDJRSAQENFJ-SECBINFHSA-N 2 2 308.342 -1.295 20 0 DAADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423344907 927031483 /nfs/dbraw/zinc/03/14/83/927031483.db2.gz HKTNRCQXEYZXLN-WCBMZHEXSA-N 2 2 308.342 -1.274 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC001423486256 927072419 /nfs/dbraw/zinc/07/24/19/927072419.db2.gz DUOSFKWGIGJBML-CYBMUJFWSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001423509244 927081405 /nfs/dbraw/zinc/08/14/05/927081405.db2.gz AAQYMAXKHJYGGC-VXGBXAGGSA-N 2 2 311.386 -1.102 20 0 DAADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001423509244 927081420 /nfs/dbraw/zinc/08/14/20/927081420.db2.gz AAQYMAXKHJYGGC-VXGBXAGGSA-N 2 2 311.386 -1.102 20 0 DAADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001423509226 927082752 /nfs/dbraw/zinc/08/27/52/927082752.db2.gz AAQYMAXKHJYGGC-NEPJUHHUSA-N 2 2 311.386 -1.102 20 0 DAADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001423509226 927082771 /nfs/dbraw/zinc/08/27/71/927082771.db2.gz AAQYMAXKHJYGGC-NEPJUHHUSA-N 2 2 311.386 -1.102 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423737117 927108211 /nfs/dbraw/zinc/10/82/11/927108211.db2.gz FFDWFEZNESAQBY-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423737117 927108219 /nfs/dbraw/zinc/10/82/19/927108219.db2.gz FFDWFEZNESAQBY-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423737117 927108236 /nfs/dbraw/zinc/10/82/36/927108236.db2.gz FFDWFEZNESAQBY-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423737117 927108248 /nfs/dbraw/zinc/10/82/48/927108248.db2.gz FFDWFEZNESAQBY-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001423757592 927115670 /nfs/dbraw/zinc/11/56/70/927115670.db2.gz HNUSWZSJGSXBSH-WFASDCNBSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001423757592 927115676 /nfs/dbraw/zinc/11/56/76/927115676.db2.gz HNUSWZSJGSXBSH-WFASDCNBSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001423757592 927115682 /nfs/dbraw/zinc/11/56/82/927115682.db2.gz HNUSWZSJGSXBSH-WFASDCNBSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423757592 927115689 /nfs/dbraw/zinc/11/56/89/927115689.db2.gz HNUSWZSJGSXBSH-WFASDCNBSA-N 2 2 312.414 -1.230 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001423798154 927132325 /nfs/dbraw/zinc/13/23/25/927132325.db2.gz FGYLVCCQYCPVBY-BXUZGUMPSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001423798154 927132326 /nfs/dbraw/zinc/13/23/26/927132326.db2.gz FGYLVCCQYCPVBY-BXUZGUMPSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001423798154 927132337 /nfs/dbraw/zinc/13/23/37/927132337.db2.gz FGYLVCCQYCPVBY-BXUZGUMPSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001423798154 927132351 /nfs/dbraw/zinc/13/23/51/927132351.db2.gz FGYLVCCQYCPVBY-BXUZGUMPSA-N 2 2 314.386 -2.255 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001423830912 927145956 /nfs/dbraw/zinc/14/59/56/927145956.db2.gz DFJKUKNCSRMHQV-CYBMUJFWSA-N 2 2 315.414 -1.359 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001423830912 927145966 /nfs/dbraw/zinc/14/59/66/927145966.db2.gz DFJKUKNCSRMHQV-CYBMUJFWSA-N 2 2 315.414 -1.359 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001423907512 927169335 /nfs/dbraw/zinc/16/93/35/927169335.db2.gz DWOZIDROYJEBAG-NWDGAFQWSA-N 2 2 301.387 -1.892 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001423907512 927169343 /nfs/dbraw/zinc/16/93/43/927169343.db2.gz DWOZIDROYJEBAG-NWDGAFQWSA-N 2 2 301.387 -1.892 20 0 DAADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001423943937 927174278 /nfs/dbraw/zinc/17/42/78/927174278.db2.gz DONOGFCAUWDMMG-WDEREUQCSA-N 2 2 322.369 -1.238 20 0 DAADLP C[C@H]([NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1)C(N)=O ZINC001424549676 927243009 /nfs/dbraw/zinc/24/30/09/927243009.db2.gz LGKHCDKGECNQTN-NSHDSACASA-N 2 2 323.397 -1.221 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001425416975 927352840 /nfs/dbraw/zinc/35/28/40/927352840.db2.gz LXYDRSMQQZZDIZ-MGCOHNPYSA-N 2 2 322.369 -1.108 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001425426451 927356763 /nfs/dbraw/zinc/35/67/63/927356763.db2.gz LLUZDQUZJFXHAS-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001425426451 927356777 /nfs/dbraw/zinc/35/67/77/927356777.db2.gz LLUZDQUZJFXHAS-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001425430972 927358559 /nfs/dbraw/zinc/35/85/59/927358559.db2.gz XQHVLKFDRYXXQT-GFCCVEGCSA-N 2 2 323.397 -1.039 20 0 DAADLP CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001425541721 927392634 /nfs/dbraw/zinc/39/26/34/927392634.db2.gz VEGZGCOBNDZDSL-RYUDHWBXSA-N 2 2 311.386 -1.114 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001425735737 927414055 /nfs/dbraw/zinc/41/40/55/927414055.db2.gz OHORRJPHWOYVNV-QWHCGFSZSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001425735737 927414062 /nfs/dbraw/zinc/41/40/62/927414062.db2.gz OHORRJPHWOYVNV-QWHCGFSZSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001425735740 927414272 /nfs/dbraw/zinc/41/42/72/927414272.db2.gz OHORRJPHWOYVNV-STQMWFEESA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001425735740 927414279 /nfs/dbraw/zinc/41/42/79/927414279.db2.gz OHORRJPHWOYVNV-STQMWFEESA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001425735733 927414307 /nfs/dbraw/zinc/41/43/07/927414307.db2.gz OHORRJPHWOYVNV-OLZOCXBDSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001425735733 927414314 /nfs/dbraw/zinc/41/43/14/927414314.db2.gz OHORRJPHWOYVNV-OLZOCXBDSA-N 2 2 311.386 -1.683 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)CC[N@@H+]1C ZINC001425765145 927433037 /nfs/dbraw/zinc/43/30/37/927433037.db2.gz ZSGWSQYTLCYPCW-IJLUTSLNSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ncnn2C)CC[N@H+]1C ZINC001425765145 927433046 /nfs/dbraw/zinc/43/30/46/927433046.db2.gz ZSGWSQYTLCYPCW-IJLUTSLNSA-N 2 2 310.402 -1.278 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425779221 927443292 /nfs/dbraw/zinc/44/32/92/927443292.db2.gz CAVLRYUTSSTKCX-GHMZBOCLSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425779229 927443658 /nfs/dbraw/zinc/44/36/58/927443658.db2.gz CAVLRYUTSSTKCX-MNOVXSKESA-N 2 2 309.370 -1.692 20 0 DAADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O ZINC001425812335 927457114 /nfs/dbraw/zinc/45/71/14/927457114.db2.gz ABJMMESRPOPVIX-MNOVXSKESA-N 2 2 311.386 -1.053 20 0 DAADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001425812334 927458608 /nfs/dbraw/zinc/45/86/08/927458608.db2.gz ABJMMESRPOPVIX-GHMZBOCLSA-N 2 2 311.386 -1.053 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001425809139 927458836 /nfs/dbraw/zinc/45/88/36/927458836.db2.gz XSYXPLCBHCELEK-GMTAPVOTSA-N 2 2 309.370 -1.664 20 0 DAADLP Cn1cc(CC[NH2+][C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001425825662 927466491 /nfs/dbraw/zinc/46/64/91/927466491.db2.gz PDJSULUPKGMJHH-ZDUSSCGKSA-N 2 2 306.370 -1.005 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001425848387 927476929 /nfs/dbraw/zinc/47/69/29/927476929.db2.gz FLPZFCVDRRBQTI-ZDUSSCGKSA-N 2 2 323.397 -1.119 20 0 DAADLP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001425861109 927481270 /nfs/dbraw/zinc/48/12/70/927481270.db2.gz WSTNKMCTWFTBCY-QWRGUYRKSA-N 2 2 311.386 -1.446 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001425859457 927481402 /nfs/dbraw/zinc/48/14/02/927481402.db2.gz UNRAFUTUDXULRX-NSHDSACASA-N 2 2 311.386 -1.492 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001425861104 927482490 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20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001426038791 927515300 /nfs/dbraw/zinc/51/53/00/927515300.db2.gz CSQSZNOWRVAHQK-NWDGAFQWSA-N 2 2 323.397 -1.100 20 0 DAADLP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426055941 927517800 /nfs/dbraw/zinc/51/78/00/927517800.db2.gz IWEKUQKGOPNBNA-VXGBXAGGSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001426055941 927517812 /nfs/dbraw/zinc/51/78/12/927517812.db2.gz IWEKUQKGOPNBNA-VXGBXAGGSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426055941 927517822 /nfs/dbraw/zinc/51/78/22/927517822.db2.gz IWEKUQKGOPNBNA-VXGBXAGGSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426055941 927517829 /nfs/dbraw/zinc/51/78/29/927517829.db2.gz IWEKUQKGOPNBNA-VXGBXAGGSA-N 2 2 316.402 -2.186 20 0 DAADLP 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322.369 -1.049 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437315830 928446415 /nfs/dbraw/zinc/44/64/15/928446415.db2.gz XQIOXWNAHDHUMQ-SECBINFHSA-N 2 2 308.342 -1.415 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781098 928479520 /nfs/dbraw/zinc/47/95/20/928479520.db2.gz NEKGCNHSDQCFFK-STQMWFEESA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781098 928479524 /nfs/dbraw/zinc/47/95/24/928479524.db2.gz NEKGCNHSDQCFFK-STQMWFEESA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781098 928479529 /nfs/dbraw/zinc/47/95/29/928479529.db2.gz NEKGCNHSDQCFFK-STQMWFEESA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781098 928479533 /nfs/dbraw/zinc/47/95/33/928479533.db2.gz NEKGCNHSDQCFFK-STQMWFEESA-N 2 2 310.398 -1.214 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 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C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001439103436 928598259 /nfs/dbraw/zinc/59/82/59/928598259.db2.gz RXQLIIDSHORLQD-BDAKNGLRSA-N 2 2 301.347 -2.394 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001439103554 928598944 /nfs/dbraw/zinc/59/89/44/928598944.db2.gz RXQLIIDSHORLQD-RKDXNWHRSA-N 2 2 301.347 -2.394 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001439103554 928598946 /nfs/dbraw/zinc/59/89/46/928598946.db2.gz RXQLIIDSHORLQD-RKDXNWHRSA-N 2 2 301.347 -2.394 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439252068 928611302 /nfs/dbraw/zinc/61/13/02/928611302.db2.gz LKBQJNVLCWPNGW-NSHDSACASA-N 2 2 309.370 -1.095 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC)C1 ZINC001439407689 928618218 /nfs/dbraw/zinc/61/82/18/928618218.db2.gz NYHUZEXEMNVUOQ-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC)C1 ZINC001439407689 928618232 /nfs/dbraw/zinc/61/82/32/928618232.db2.gz NYHUZEXEMNVUOQ-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC)C1 ZINC001439407689 928618241 /nfs/dbraw/zinc/61/82/41/928618241.db2.gz NYHUZEXEMNVUOQ-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC)C1 ZINC001439407689 928618250 /nfs/dbraw/zinc/61/82/50/928618250.db2.gz NYHUZEXEMNVUOQ-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439383403 928619624 /nfs/dbraw/zinc/61/96/24/928619624.db2.gz FZVVZYGIELGJPQ-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439383403 928619629 /nfs/dbraw/zinc/61/96/29/928619629.db2.gz FZVVZYGIELGJPQ-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001439784680 928642868 /nfs/dbraw/zinc/64/28/68/928642868.db2.gz QUEONNJTUZOCSE-VIFPVBQESA-N 2 2 308.342 -1.272 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001439976663 928650454 /nfs/dbraw/zinc/65/04/54/928650454.db2.gz DNTQHUDLWFSKRQ-DZGCQCFKSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001439976663 928650460 /nfs/dbraw/zinc/65/04/60/928650460.db2.gz DNTQHUDLWFSKRQ-DZGCQCFKSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001439976663 928650466 /nfs/dbraw/zinc/65/04/66/928650466.db2.gz DNTQHUDLWFSKRQ-DZGCQCFKSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001439976663 928650469 /nfs/dbraw/zinc/65/04/69/928650469.db2.gz DNTQHUDLWFSKRQ-DZGCQCFKSA-N 2 2 322.413 -1.038 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001439997719 928660362 /nfs/dbraw/zinc/66/03/62/928660362.db2.gz FQQYPSMVFFQFEU-OAHLLOKOSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001439997719 928660374 /nfs/dbraw/zinc/66/03/74/928660374.db2.gz FQQYPSMVFFQFEU-OAHLLOKOSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440015768 928666259 /nfs/dbraw/zinc/66/62/59/928666259.db2.gz YPKAUQPWRXBGKJ-OAHLLOKOSA-N 2 2 314.430 -1.031 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440015768 928666266 /nfs/dbraw/zinc/66/62/66/928666266.db2.gz YPKAUQPWRXBGKJ-OAHLLOKOSA-N 2 2 314.430 -1.031 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440019951 928668725 /nfs/dbraw/zinc/66/87/25/928668725.db2.gz CVPYGLOPZJXGMQ-WFASDCNBSA-N 2 2 310.398 -1.476 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440019951 928668733 /nfs/dbraw/zinc/66/87/33/928668733.db2.gz CVPYGLOPZJXGMQ-WFASDCNBSA-N 2 2 310.398 -1.476 20 0 DAADLP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CCn2cc[nH+]c2)C1=O ZINC001440202306 928703902 /nfs/dbraw/zinc/70/39/02/928703902.db2.gz ABARTMPGBDXIKJ-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001440203629 928703946 /nfs/dbraw/zinc/70/39/46/928703946.db2.gz HGRJOTRROZAVPE-NSHDSACASA-N 2 2 309.370 -1.440 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001440197589 928704226 /nfs/dbraw/zinc/70/42/26/928704226.db2.gz CIAKRUCRNOXURR-VXGBXAGGSA-N 2 2 316.402 -2.138 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001440197589 928704229 /nfs/dbraw/zinc/70/42/29/928704229.db2.gz CIAKRUCRNOXURR-VXGBXAGGSA-N 2 2 316.402 -2.138 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001440205288 928707147 /nfs/dbraw/zinc/70/71/47/928707147.db2.gz KVKYVADQIQQEKA-NSHDSACASA-N 2 2 311.386 -1.161 20 0 DAADLP NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440454131 928722564 /nfs/dbraw/zinc/72/25/64/928722564.db2.gz SQWRSPWUMJXXCX-CYBMUJFWSA-N 2 2 312.414 -1.147 20 0 DAADLP NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440454131 928722572 /nfs/dbraw/zinc/72/25/72/928722572.db2.gz SQWRSPWUMJXXCX-CYBMUJFWSA-N 2 2 312.414 -1.147 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001440594874 928732467 /nfs/dbraw/zinc/73/24/67/928732467.db2.gz DWGMTESQNYDELH-KOLCDFICSA-N 2 2 322.369 -1.406 20 0 DAADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001440565594 928733552 /nfs/dbraw/zinc/73/35/52/928733552.db2.gz MFLIELZHLMHQIJ-OLZOCXBDSA-N 2 2 315.414 -1.047 20 0 DAADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001440565594 928733556 /nfs/dbraw/zinc/73/35/56/928733556.db2.gz MFLIELZHLMHQIJ-OLZOCXBDSA-N 2 2 315.414 -1.047 20 0 DAADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001440844444 928745420 /nfs/dbraw/zinc/74/54/20/928745420.db2.gz ASDBNVCZVJCWSZ-UWVGGRQHSA-N 2 2 307.358 -1.012 20 0 DAADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001440844440 928747096 /nfs/dbraw/zinc/74/70/96/928747096.db2.gz ASDBNVCZVJCWSZ-NXEZZACHSA-N 2 2 307.358 -1.012 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)NC(N)=O ZINC001440902992 928749429 /nfs/dbraw/zinc/74/94/29/928749429.db2.gz JIBZAAVLLNTSBX-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)NC(N)=O ZINC001440902992 928749438 /nfs/dbraw/zinc/74/94/38/928749438.db2.gz JIBZAAVLLNTSBX-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440902992 928749445 /nfs/dbraw/zinc/74/94/45/928749445.db2.gz JIBZAAVLLNTSBX-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440902992 928749453 /nfs/dbraw/zinc/74/94/53/928749453.db2.gz JIBZAAVLLNTSBX-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001441048078 928758317 /nfs/dbraw/zinc/75/83/17/928758317.db2.gz INJLTSDYAIHYAF-LLVKDONJSA-N 2 2 322.369 -1.033 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001441048078 928758328 /nfs/dbraw/zinc/75/83/28/928758328.db2.gz INJLTSDYAIHYAF-LLVKDONJSA-N 2 2 322.369 -1.033 20 0 DAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001441692371 928816923 /nfs/dbraw/zinc/81/69/23/928816923.db2.gz CEFUOOFRZYNNBX-LLVKDONJSA-N 2 2 309.370 -1.686 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001441704338 928825440 /nfs/dbraw/zinc/82/54/40/928825440.db2.gz HZNFVRFDKHEWER-GHMZBOCLSA-N 2 2 311.386 -1.133 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001441711395 928830735 /nfs/dbraw/zinc/83/07/35/928830735.db2.gz HUVLOVZKPMQQMM-JTQLQIEISA-N 2 2 305.338 -1.011 20 0 DAADLP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001441712629 928831400 /nfs/dbraw/zinc/83/14/00/928831400.db2.gz AJDLAPZNXJLGAO-MCIONIFRSA-N 2 2 315.414 -1.047 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001441711398 928832017 /nfs/dbraw/zinc/83/20/17/928832017.db2.gz HUVLOVZKPMQQMM-SNVBAGLBSA-N 2 2 305.338 -1.011 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC001441713329 928832294 /nfs/dbraw/zinc/83/22/94/928832294.db2.gz LFKRDHMPNQVPKS-OLZOCXBDSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001441713329 928832306 /nfs/dbraw/zinc/83/23/06/928832306.db2.gz LFKRDHMPNQVPKS-OLZOCXBDSA-N 2 2 310.402 -1.134 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001441714129 928833667 /nfs/dbraw/zinc/83/36/67/928833667.db2.gz FSLLQNQSPHYHLW-VXGBXAGGSA-N 2 2 323.397 -1.352 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC001441713341 928833792 /nfs/dbraw/zinc/83/37/92/928833792.db2.gz LFKRDHMPNQVPKS-STQMWFEESA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001441713341 928833805 /nfs/dbraw/zinc/83/38/05/928833805.db2.gz LFKRDHMPNQVPKS-STQMWFEESA-N 2 2 310.402 -1.134 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001441778059 928864784 /nfs/dbraw/zinc/86/47/84/928864784.db2.gz YDYKGZSICXADEF-GHMZBOCLSA-N 2 2 309.370 -1.442 20 0 DAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001441794430 928865251 /nfs/dbraw/zinc/86/52/51/928865251.db2.gz SZWWTNBIVDTXBE-QWRGUYRKSA-N 2 2 311.386 -1.494 20 0 DAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001441794418 928865781 /nfs/dbraw/zinc/86/57/81/928865781.db2.gz SZWWTNBIVDTXBE-GHMZBOCLSA-N 2 2 311.386 -1.494 20 0 DAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001441801541 928868398 /nfs/dbraw/zinc/86/83/98/928868398.db2.gz SUDNTMURWQPWGQ-GHMZBOCLSA-N 2 2 311.390 -1.566 20 0 DAADLP CS(=O)(=O)CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001441799638 928868969 /nfs/dbraw/zinc/86/89/69/928868969.db2.gz MIMCIQYIZJITHJ-JTQLQIEISA-N 2 2 304.372 -2.006 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001441983267 928897973 /nfs/dbraw/zinc/89/79/73/928897973.db2.gz JWEYJOFZPQTUIV-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001441983267 928897986 /nfs/dbraw/zinc/89/79/86/928897986.db2.gz JWEYJOFZPQTUIV-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001441987498 928901010 /nfs/dbraw/zinc/90/10/10/928901010.db2.gz AVKDWCQOYZUAAS-LBPRGKRZSA-N 2 2 321.385 -1.071 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001442020671 928906981 /nfs/dbraw/zinc/90/69/81/928906981.db2.gz SDVDRFOGRZMEQI-NEPJUHHUSA-N 2 2 311.386 -1.011 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442371397 928943955 /nfs/dbraw/zinc/94/39/55/928943955.db2.gz GBTKKKFHSIWNKU-UWVGGRQHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442371397 928943968 /nfs/dbraw/zinc/94/39/68/928943968.db2.gz GBTKKKFHSIWNKU-UWVGGRQHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442371397 928943986 /nfs/dbraw/zinc/94/39/86/928943986.db2.gz GBTKKKFHSIWNKU-UWVGGRQHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442371397 928943999 /nfs/dbraw/zinc/94/39/99/928943999.db2.gz GBTKKKFHSIWNKU-UWVGGRQHSA-N 2 2 315.374 -2.052 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001442596469 928957574 /nfs/dbraw/zinc/95/75/74/928957574.db2.gz BHYNREQIOQMWKO-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001442596469 928957580 /nfs/dbraw/zinc/95/75/80/928957580.db2.gz BHYNREQIOQMWKO-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001442596469 928957589 /nfs/dbraw/zinc/95/75/89/928957589.db2.gz BHYNREQIOQMWKO-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001442596469 928957595 /nfs/dbraw/zinc/95/75/95/928957595.db2.gz BHYNREQIOQMWKO-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)NC(N)=O ZINC001442758457 928965929 /nfs/dbraw/zinc/96/59/29/928965929.db2.gz LZDKJTZSZURNJP-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)NC(N)=O ZINC001442758457 928965944 /nfs/dbraw/zinc/96/59/44/928965944.db2.gz LZDKJTZSZURNJP-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001442779409 928966586 /nfs/dbraw/zinc/96/65/86/928966586.db2.gz OXKMPVBWGLTFIZ-QWRGUYRKSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001442779409 928966596 /nfs/dbraw/zinc/96/65/96/928966596.db2.gz OXKMPVBWGLTFIZ-QWRGUYRKSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001442779409 928966607 /nfs/dbraw/zinc/96/66/07/928966607.db2.gz OXKMPVBWGLTFIZ-QWRGUYRKSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001442779409 928966615 /nfs/dbraw/zinc/96/66/15/928966615.db2.gz OXKMPVBWGLTFIZ-QWRGUYRKSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001442779402 928966706 /nfs/dbraw/zinc/96/67/06/928966706.db2.gz OXKMPVBWGLTFIZ-MNOVXSKESA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001442779402 928966716 /nfs/dbraw/zinc/96/67/16/928966716.db2.gz OXKMPVBWGLTFIZ-MNOVXSKESA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001442779402 928966724 /nfs/dbraw/zinc/96/67/24/928966724.db2.gz OXKMPVBWGLTFIZ-MNOVXSKESA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001442779402 928966735 /nfs/dbraw/zinc/96/67/35/928966735.db2.gz OXKMPVBWGLTFIZ-MNOVXSKESA-N 2 2 311.386 -1.144 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001442885096 928974569 /nfs/dbraw/zinc/97/45/69/928974569.db2.gz NIKVGCSCQTYRGQ-LLVKDONJSA-N 2 2 322.369 -1.094 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001442885096 928974576 /nfs/dbraw/zinc/97/45/76/928974576.db2.gz NIKVGCSCQTYRGQ-LLVKDONJSA-N 2 2 322.369 -1.094 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001444198804 929084577 /nfs/dbraw/zinc/08/45/77/929084577.db2.gz NXOPLYNCYJTKKA-NSHDSACASA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001444198804 929084585 /nfs/dbraw/zinc/08/45/85/929084585.db2.gz NXOPLYNCYJTKKA-NSHDSACASA-N 2 2 311.386 -1.114 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250690 929094070 /nfs/dbraw/zinc/09/40/70/929094070.db2.gz UNEVVXVHRNGNEX-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250690 929094083 /nfs/dbraw/zinc/09/40/83/929094083.db2.gz UNEVVXVHRNGNEX-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250691 929094193 /nfs/dbraw/zinc/09/41/93/929094193.db2.gz UNEVVXVHRNGNEX-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250691 929094206 /nfs/dbraw/zinc/09/42/06/929094206.db2.gz UNEVVXVHRNGNEX-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250689 929094796 /nfs/dbraw/zinc/09/47/96/929094796.db2.gz UNEVVXVHRNGNEX-OLZOCXBDSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250689 929094806 /nfs/dbraw/zinc/09/48/06/929094806.db2.gz UNEVVXVHRNGNEX-OLZOCXBDSA-N 2 2 323.397 -1.182 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001444419105 929120486 /nfs/dbraw/zinc/12/04/86/929120486.db2.gz HVBHQOQJXKPKEQ-SNVBAGLBSA-N 2 2 310.358 -1.319 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001444463724 929126298 /nfs/dbraw/zinc/12/62/98/929126298.db2.gz FJJQIHJWZCQLIU-AWEZNQCLSA-N 2 2 315.414 -1.092 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001444463724 929126302 /nfs/dbraw/zinc/12/63/02/929126302.db2.gz FJJQIHJWZCQLIU-AWEZNQCLSA-N 2 2 315.414 -1.092 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001445202283 929185524 /nfs/dbraw/zinc/18/55/24/929185524.db2.gz KHBFNDUSMFFHSQ-NEPJUHHUSA-N 2 2 323.397 -1.350 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445219299 929191655 /nfs/dbraw/zinc/19/16/55/929191655.db2.gz ZYCGPLXRSDWUBA-GHMZBOCLSA-N 2 2 309.370 -1.742 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445219323 929192206 /nfs/dbraw/zinc/19/22/06/929192206.db2.gz ZYCGPLXRSDWUBA-QWRGUYRKSA-N 2 2 309.370 -1.742 20 0 DAADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001445261768 929204712 /nfs/dbraw/zinc/20/47/12/929204712.db2.gz VTRGITZMCINFPS-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001445276786 929209148 /nfs/dbraw/zinc/20/91/48/929209148.db2.gz NFCNVCDOFMCQTK-NEPJUHHUSA-N 2 2 309.370 -1.692 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001445495672 929226409 /nfs/dbraw/zinc/22/64/09/929226409.db2.gz GHYHGRDXCMDYFT-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445537466 929237162 /nfs/dbraw/zinc/23/71/62/929237162.db2.gz RXQLIIDSHORLQD-IUCAKERBSA-N 2 2 301.347 -2.394 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445537466 929237174 /nfs/dbraw/zinc/23/71/74/929237174.db2.gz RXQLIIDSHORLQD-IUCAKERBSA-N 2 2 301.347 -2.394 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445649505 929246386 /nfs/dbraw/zinc/24/63/86/929246386.db2.gz NSVOHSROWGIVJS-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001445659562 929247621 /nfs/dbraw/zinc/24/76/21/929247621.db2.gz BNOBFJKJKQSVSD-MNOVXSKESA-N 2 2 309.370 -1.408 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001446216945 929281421 /nfs/dbraw/zinc/28/14/21/929281421.db2.gz KKJKSPSHLBFRGT-RYUDHWBXSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001446217030 929282348 /nfs/dbraw/zinc/28/23/48/929282348.db2.gz XPWALAZOWRHDJQ-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446783443 929319036 /nfs/dbraw/zinc/31/90/36/929319036.db2.gz OTZIJDYEVLGDAM-CQSZACIVSA-N 2 2 314.386 -2.253 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446783443 929319047 /nfs/dbraw/zinc/31/90/47/929319047.db2.gz OTZIJDYEVLGDAM-CQSZACIVSA-N 2 2 314.386 -2.253 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001446827306 929330811 /nfs/dbraw/zinc/33/08/11/929330811.db2.gz ARBNUQVOWUZUMZ-NEPJUHHUSA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446827306 929330822 /nfs/dbraw/zinc/33/08/22/929330822.db2.gz ARBNUQVOWUZUMZ-NEPJUHHUSA-N 2 2 301.387 -1.749 20 0 DAADLP CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)Cn2cc[nH+]c2)C1=O ZINC001447050179 929364893 /nfs/dbraw/zinc/36/48/93/929364893.db2.gz IDYXFHANCORAIA-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001447309305 929384328 /nfs/dbraw/zinc/38/43/28/929384328.db2.gz PWHMIFLEUZMKLZ-YPMHNXCESA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001447309303 929385382 /nfs/dbraw/zinc/38/53/82/929385382.db2.gz PWHMIFLEUZMKLZ-DGCLKSJQSA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001447739968 929409835 /nfs/dbraw/zinc/40/98/35/929409835.db2.gz SYLRWPJOEDZQEE-LBPRGKRZSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447941200 929420713 /nfs/dbraw/zinc/42/07/13/929420713.db2.gz YDKYDDPEGCOSBV-UWVGGRQHSA-N 2 2 324.385 -1.099 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447941202 929421663 /nfs/dbraw/zinc/42/16/63/929421663.db2.gz YDKYDDPEGCOSBV-VHSXEESVSA-N 2 2 324.385 -1.099 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001448730391 929467550 /nfs/dbraw/zinc/46/75/50/929467550.db2.gz JZBMCTCEGHMKID-BDAKNGLRSA-N 2 2 310.358 -1.028 20 0 DAADLP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448829184 929484943 /nfs/dbraw/zinc/48/49/43/929484943.db2.gz JLVXWXFLXCPMRH-AAEUAGOBSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448829184 929484948 /nfs/dbraw/zinc/48/49/48/929484948.db2.gz JLVXWXFLXCPMRH-AAEUAGOBSA-N 2 2 311.386 -1.683 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001448867226 929498932 /nfs/dbraw/zinc/49/89/32/929498932.db2.gz HQLXGYJINGMQDZ-ZDUSSCGKSA-N 2 2 323.397 -1.119 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001448878776 929503532 /nfs/dbraw/zinc/50/35/32/929503532.db2.gz IBEVLBQXHBZDDD-MNOVXSKESA-N 2 2 311.386 -1.446 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001448875210 929505425 /nfs/dbraw/zinc/50/54/25/929505425.db2.gz DBBQIGIWYGHAIG-NWDGAFQWSA-N 2 2 323.397 -1.302 20 0 DAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001448901345 929511116 /nfs/dbraw/zinc/51/11/16/929511116.db2.gz PLLYYSHACLJVHL-SNVBAGLBSA-N 2 2 318.337 -1.567 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001448919431 929515636 /nfs/dbraw/zinc/51/56/36/929515636.db2.gz JQWJMTVFZIQVLB-NWDGAFQWSA-N 2 2 323.397 -1.065 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001448934654 929519945 /nfs/dbraw/zinc/51/99/45/929519945.db2.gz DLZCIGAXTNNQFP-NSHDSACASA-N 2 2 309.370 -1.394 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001448945680 929523305 /nfs/dbraw/zinc/52/33/05/929523305.db2.gz KCPMBHUBAJZCHG-GFCCVEGCSA-N 2 2 306.370 -1.037 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001448947912 929523491 /nfs/dbraw/zinc/52/34/91/929523491.db2.gz ORXNHTZMFCULJH-WCQYABFASA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001448947912 929523495 /nfs/dbraw/zinc/52/34/95/929523495.db2.gz ORXNHTZMFCULJH-WCQYABFASA-N 2 2 310.402 -1.276 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001448952762 929525212 /nfs/dbraw/zinc/52/52/12/929525212.db2.gz OYRLKOBCHHWNHO-MNOVXSKESA-N 2 2 313.406 -1.322 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001448952762 929525217 /nfs/dbraw/zinc/52/52/17/929525217.db2.gz OYRLKOBCHHWNHO-MNOVXSKESA-N 2 2 313.406 -1.322 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001448952765 929526311 /nfs/dbraw/zinc/52/63/11/929526311.db2.gz OYRLKOBCHHWNHO-WDEREUQCSA-N 2 2 313.406 -1.322 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001448952765 929526319 /nfs/dbraw/zinc/52/63/19/929526319.db2.gz OYRLKOBCHHWNHO-WDEREUQCSA-N 2 2 313.406 -1.322 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950565 929526384 /nfs/dbraw/zinc/52/63/84/929526384.db2.gz IAFKEVBIYVFSQT-MNOVXSKESA-N 2 2 323.401 -1.474 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950565 929526392 /nfs/dbraw/zinc/52/63/92/929526392.db2.gz IAFKEVBIYVFSQT-MNOVXSKESA-N 2 2 323.401 -1.474 20 0 DAADLP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001448957800 929528821 /nfs/dbraw/zinc/52/88/21/929528821.db2.gz SHDYRRAMGHRKMG-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001449150234 929554661 /nfs/dbraw/zinc/55/46/61/929554661.db2.gz QLJFHAURNQXMJA-PWSUYJOCSA-N 2 2 311.386 -1.257 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001449150234 929554664 /nfs/dbraw/zinc/55/46/64/929554664.db2.gz QLJFHAURNQXMJA-PWSUYJOCSA-N 2 2 311.386 -1.257 20 0 DAADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001449407439 929584986 /nfs/dbraw/zinc/58/49/86/929584986.db2.gz XCNRBPUXSMHPDL-UHFFFAOYSA-N 2 2 308.342 -1.343 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001450198458 929613049 /nfs/dbraw/zinc/61/30/49/929613049.db2.gz NIKCTILVMBEQSS-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001513553600 929638321 /nfs/dbraw/zinc/63/83/21/929638321.db2.gz SFNSPGAAKURVHQ-OLZOCXBDSA-N 2 2 323.397 -1.089 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001513553600 929638333 /nfs/dbraw/zinc/63/83/33/929638333.db2.gz SFNSPGAAKURVHQ-OLZOCXBDSA-N 2 2 323.397 -1.089 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087565 929665833 /nfs/dbraw/zinc/66/58/33/929665833.db2.gz UFJUMHCRFYSRBI-UKRRQHHQSA-N 2 2 307.442 -1.167 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087565 929665836 /nfs/dbraw/zinc/66/58/36/929665836.db2.gz UFJUMHCRFYSRBI-UKRRQHHQSA-N 2 2 307.442 -1.167 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265352 929937238 /nfs/dbraw/zinc/93/72/38/929937238.db2.gz BWHBZCKXKVEBHX-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265352 929937246 /nfs/dbraw/zinc/93/72/46/929937246.db2.gz BWHBZCKXKVEBHX-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265350 929937330 /nfs/dbraw/zinc/93/73/30/929937330.db2.gz BWHBZCKXKVEBHX-OLZOCXBDSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265350 929937340 /nfs/dbraw/zinc/93/73/40/929937340.db2.gz BWHBZCKXKVEBHX-OLZOCXBDSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620783 930033946 /nfs/dbraw/zinc/03/39/46/930033946.db2.gz LMPFHZCSRKIDMX-WCQYABFASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620783 930033952 /nfs/dbraw/zinc/03/39/52/930033952.db2.gz LMPFHZCSRKIDMX-WCQYABFASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620785 930034934 /nfs/dbraw/zinc/03/49/34/930034934.db2.gz LMPFHZCSRKIDMX-YPMHNXCESA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620785 930034941 /nfs/dbraw/zinc/03/49/41/930034941.db2.gz LMPFHZCSRKIDMX-YPMHNXCESA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735576 930045560 /nfs/dbraw/zinc/04/55/60/930045560.db2.gz LOVFEXCFZZCAQC-UONOGXRCSA-N 2 2 323.441 -1.393 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735576 930045573 /nfs/dbraw/zinc/04/55/73/930045573.db2.gz LOVFEXCFZZCAQC-UONOGXRCSA-N 2 2 323.441 -1.393 20 0 DAADLP C[C@H](C(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1)N1CC[NH2+]CC1=O ZINC001549733004 930058234 /nfs/dbraw/zinc/05/82/34/930058234.db2.gz FSVXMSFVXXZTBL-GRYCIOLGSA-N 2 2 320.397 -1.507 20 0 DAADLP C[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1)N1CC[NH2+]CC1=O ZINC001549733007 930059410 /nfs/dbraw/zinc/05/94/10/930059410.db2.gz FSVXMSFVXXZTBL-WOPDTQHZSA-N 2 2 320.397 -1.507 20 0 DAADLP C[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1)N1CC[NH2+]CC1=O ZINC001550067754 930060445 /nfs/dbraw/zinc/06/04/45/930060445.db2.gz UPHRHAKRNYJNMQ-RTXFEEFZSA-N 2 2 320.397 -1.507 20 0 DAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203225 930070218 /nfs/dbraw/zinc/07/02/18/930070218.db2.gz FEOHGFHWRSOFBP-CJNGLKHVSA-N 2 2 324.425 -1.107 20 0 DAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203225 930070224 /nfs/dbraw/zinc/07/02/24/930070224.db2.gz FEOHGFHWRSOFBP-CJNGLKHVSA-N 2 2 324.425 -1.107 20 0 DAADLP Cn1cc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2=O)cn1 ZINC000653092927 545643803 /nfs/dbraw/zinc/64/38/03/545643803.db2.gz PVJVUBRDUWMZCX-LBPRGKRZSA-N 2 2 308.386 -1.126 20 0 DAADLP CNc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000343807438 545706673 /nfs/dbraw/zinc/70/66/73/545706673.db2.gz OFKKWZXIRFGYSK-PHIMTYICSA-N 3 2 310.450 -1.097 20 0 DAADLP CNc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@H](C)C[NH+](C)C)[nH+]1 ZINC000343807438 545706685 /nfs/dbraw/zinc/70/66/85/545706685.db2.gz OFKKWZXIRFGYSK-PHIMTYICSA-N 3 2 310.450 -1.097 20 0 DAADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827952 545746306 /nfs/dbraw/zinc/74/63/06/545746306.db2.gz BOHFRHOAGQLYFI-LBPRGKRZSA-N 2 2 318.443 -1.178 20 0 DAADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827952 545746311 /nfs/dbraw/zinc/74/63/11/545746311.db2.gz BOHFRHOAGQLYFI-LBPRGKRZSA-N 2 2 318.443 -1.178 20 0 DAADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362832439 545746557 /nfs/dbraw/zinc/74/65/57/545746557.db2.gz ZBSSBFHDNQPVSV-LBPRGKRZSA-N 2 2 318.443 -1.178 20 0 DAADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362832439 545746562 /nfs/dbraw/zinc/74/65/62/545746562.db2.gz ZBSSBFHDNQPVSV-LBPRGKRZSA-N 2 2 318.443 -1.178 20 0 DAADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192013003 781939500 /nfs/dbraw/zinc/93/95/00/781939500.db2.gz JCJYZJLPEDLCFL-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192013003 781939509 /nfs/dbraw/zinc/93/95/09/781939509.db2.gz JCJYZJLPEDLCFL-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001192013003 781939515 /nfs/dbraw/zinc/93/95/15/781939515.db2.gz JCJYZJLPEDLCFL-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001192013003 781939520 /nfs/dbraw/zinc/93/95/20/781939520.db2.gz JCJYZJLPEDLCFL-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000238081081 372790520 /nfs/dbraw/zinc/79/05/20/372790520.db2.gz WIKPUSOQCVICJC-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000643577451 372769235 /nfs/dbraw/zinc/76/92/35/372769235.db2.gz HWCGMCXQTWHVKN-ZDUSSCGKSA-N 2 2 309.414 -1.606 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000584226069 372818898 /nfs/dbraw/zinc/81/88/98/372818898.db2.gz HGLUCPISWIAPJQ-INIZCTEOSA-N 2 2 324.425 -1.011 20 0 DAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)C[C@@H](C)O1 ZINC000584113285 372819004 /nfs/dbraw/zinc/81/90/04/372819004.db2.gz KEHVWQCXGKBFCE-SYQHCUMBSA-N 2 2 313.402 -1.301 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)C[C@H](C)O1 ZINC000584113286 372819764 /nfs/dbraw/zinc/81/97/64/372819764.db2.gz KEHVWQCXGKBFCE-XJFOESAGSA-N 2 2 313.402 -1.301 20 0 DAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)C[C@H](C)O1 ZINC000584113286 372819773 /nfs/dbraw/zinc/81/97/73/372819773.db2.gz KEHVWQCXGKBFCE-XJFOESAGSA-N 2 2 313.402 -1.301 20 0 DAADLP COCC[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632254866 372836814 /nfs/dbraw/zinc/83/68/14/372836814.db2.gz BAONJNMLPPAICM-OLZOCXBDSA-N 2 2 321.443 -1.043 20 0 DAADLP COCC[N@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632254866 372836819 /nfs/dbraw/zinc/83/68/19/372836819.db2.gz BAONJNMLPPAICM-OLZOCXBDSA-N 2 2 321.443 -1.043 20 0 DAADLP COCC[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632254866 372836827 /nfs/dbraw/zinc/83/68/27/372836827.db2.gz BAONJNMLPPAICM-OLZOCXBDSA-N 2 2 321.443 -1.043 20 0 DAADLP COCC[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632254866 372836833 /nfs/dbraw/zinc/83/68/33/372836833.db2.gz BAONJNMLPPAICM-OLZOCXBDSA-N 2 2 321.443 -1.043 20 0 DAADLP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000627355553 372844893 /nfs/dbraw/zinc/84/48/93/372844893.db2.gz JRQATECPFPNNSN-SRVKXCTJSA-N 2 2 314.386 -2.074 20 0 DAADLP C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355553 372844899 /nfs/dbraw/zinc/84/48/99/372844899.db2.gz JRQATECPFPNNSN-SRVKXCTJSA-N 2 2 314.386 -2.074 20 0 DAADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237556788 372865156 /nfs/dbraw/zinc/86/51/56/372865156.db2.gz DGADJHJXFDRTJG-CHWSQXEVSA-N 2 2 312.414 -1.122 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627358629 372869450 /nfs/dbraw/zinc/86/94/50/372869450.db2.gz OGUBOYIEZZTVBT-LBPRGKRZSA-N 2 2 316.402 -1.743 20 0 DAADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(NS(N)(=O)=O)CC2)CC1 ZINC000626033787 372859627 /nfs/dbraw/zinc/85/96/27/372859627.db2.gz BWEGGHOAOBILNX-UHFFFAOYSA-N 2 2 319.431 -1.982 20 0 DAADLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000635579188 372893412 /nfs/dbraw/zinc/89/34/12/372893412.db2.gz YQBLACOJQZLFAB-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH+](C)CC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000635550881 372887180 /nfs/dbraw/zinc/88/71/80/372887180.db2.gz WHZVDWCLGJBXKO-UHFFFAOYSA-N 2 2 312.414 -1.107 20 0 DAADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204223 372887690 /nfs/dbraw/zinc/88/76/90/372887690.db2.gz IGVMRLILNDHRMJ-LLVKDONJSA-N 2 2 304.416 -1.616 20 0 DAADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204223 372887695 /nfs/dbraw/zinc/88/76/95/372887695.db2.gz IGVMRLILNDHRMJ-LLVKDONJSA-N 2 2 304.416 -1.616 20 0 DAADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569710504 372904046 /nfs/dbraw/zinc/90/40/46/372904046.db2.gz SSSGBKWCXNZINS-VHSXEESVSA-N 2 2 311.386 -1.146 20 0 DAADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569710504 372904053 /nfs/dbraw/zinc/90/40/53/372904053.db2.gz SSSGBKWCXNZINS-VHSXEESVSA-N 2 2 311.386 -1.146 20 0 DAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000569864602 372907018 /nfs/dbraw/zinc/90/70/18/372907018.db2.gz YWHMVDCDDIPKRW-GFCCVEGCSA-N 2 2 308.448 -1.183 20 0 DAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000569864602 372907023 /nfs/dbraw/zinc/90/70/23/372907023.db2.gz YWHMVDCDDIPKRW-GFCCVEGCSA-N 2 2 308.448 -1.183 20 0 DAADLP CC(=O)NCCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570333077 372911601 /nfs/dbraw/zinc/91/16/01/372911601.db2.gz MJZCICGBNWFVBW-GFCCVEGCSA-N 2 2 313.402 -1.880 20 0 DAADLP CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570333077 372911612 /nfs/dbraw/zinc/91/16/12/372911612.db2.gz MJZCICGBNWFVBW-GFCCVEGCSA-N 2 2 313.402 -1.880 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)C1 ZINC000595250381 372996428 /nfs/dbraw/zinc/99/64/28/372996428.db2.gz MUGBIZSZOMTGBK-NSHDSACASA-N 2 2 324.385 -1.054 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)C1 ZINC000595250381 372996434 /nfs/dbraw/zinc/99/64/34/372996434.db2.gz MUGBIZSZOMTGBK-NSHDSACASA-N 2 2 324.385 -1.054 20 0 DAADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000595926945 373004152 /nfs/dbraw/zinc/00/41/52/373004152.db2.gz LVVRVHJJFRTTHW-NSHDSACASA-N 2 2 324.385 -1.054 20 0 DAADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000595926944 373004170 /nfs/dbraw/zinc/00/41/70/373004170.db2.gz LVVRVHJJFRTTHW-LLVKDONJSA-N 2 2 324.385 -1.054 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595986050 373009018 /nfs/dbraw/zinc/00/90/18/373009018.db2.gz HSLXXBOZTXQNAJ-NWDGAFQWSA-N 2 2 323.397 -2.079 20 0 DAADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000366498067 373133733 /nfs/dbraw/zinc/13/37/33/373133733.db2.gz QIWAXPIVBYMSNH-CXTNEJHOSA-N 2 2 322.409 -1.499 20 0 DAADLP CC1(C)NC(=O)N(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000563443932 373137172 /nfs/dbraw/zinc/13/71/72/373137172.db2.gz ZDFHEJXJOBMLRP-ZJUUUORDSA-N 2 2 309.370 -1.439 20 0 DAADLP CC1(C)NC(=O)N(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000563443932 373137175 /nfs/dbraw/zinc/13/71/75/373137175.db2.gz ZDFHEJXJOBMLRP-ZJUUUORDSA-N 2 2 309.370 -1.439 20 0 DAADLP C[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1=O ZINC000638229020 373210323 /nfs/dbraw/zinc/21/03/23/373210323.db2.gz JYBTWOAYKWYRJA-STQMWFEESA-N 2 2 309.414 -1.687 20 0 DAADLP CC[NH+]1CCN(CCNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638137359 373212116 /nfs/dbraw/zinc/21/21/16/373212116.db2.gz JECGJPAMXFJJHZ-CYBMUJFWSA-N 2 2 311.430 -1.440 20 0 DAADLP Cn1cc[nH+]c1CN1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638275863 373212531 /nfs/dbraw/zinc/21/25/31/373212531.db2.gz ACXXITBLAAWLNF-UHFFFAOYSA-N 2 2 306.414 -1.031 20 0 DAADLP C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638367311 373213243 /nfs/dbraw/zinc/21/32/43/373213243.db2.gz UPHRHAKRNYJNMQ-KGYLQXTDSA-N 2 2 320.397 -1.507 20 0 DAADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638409523 373216608 /nfs/dbraw/zinc/21/66/08/373216608.db2.gz OVTLXMIBIPERPF-ZDUSSCGKSA-N 3 2 313.446 -1.194 20 0 DAADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638409523 373216617 /nfs/dbraw/zinc/21/66/17/373216617.db2.gz OVTLXMIBIPERPF-ZDUSSCGKSA-N 3 2 313.446 -1.194 20 0 DAADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH2+]CC1=O ZINC000638414615 373217563 /nfs/dbraw/zinc/21/75/63/373217563.db2.gz RZESNQGSOIUZSJ-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638445695 373218658 /nfs/dbraw/zinc/21/86/58/373218658.db2.gz HSCGMAKANJTWKD-OCCSQVGLSA-N 2 2 301.387 -1.484 20 0 DAADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000638446286 373219786 /nfs/dbraw/zinc/21/97/86/373219786.db2.gz MWZRANMGFIIBLL-VNHYZAJKSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000638446285 373219803 /nfs/dbraw/zinc/21/98/03/373219803.db2.gz MWZRANMGFIIBLL-KCQAQPDRSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000638446284 373219831 /nfs/dbraw/zinc/21/98/31/373219831.db2.gz MWZRANMGFIIBLL-IPYPFGDCSA-N 2 2 315.414 -1.095 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638445697 373220153 /nfs/dbraw/zinc/22/01/53/373220153.db2.gz HSCGMAKANJTWKD-TZMCWYRMSA-N 2 2 301.387 -1.484 20 0 DAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000638503006 373224449 /nfs/dbraw/zinc/22/44/49/373224449.db2.gz YOFOWZAAVIKWJG-LBPRGKRZSA-N 2 2 318.443 -1.098 20 0 DAADLP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637811501 373183378 /nfs/dbraw/zinc/18/33/78/373183378.db2.gz UYOAHIJKRCHWJG-NSHDSACASA-N 2 2 311.386 -2.303 20 0 DAADLP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)N1CC[NH2+]CC1=O ZINC000638070284 373203646 /nfs/dbraw/zinc/20/36/46/373203646.db2.gz QEDFRDMRIDECIS-GFCCVEGCSA-N 2 2 312.414 -1.230 20 0 DAADLP Cn1cnn(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000617763304 373277186 /nfs/dbraw/zinc/27/71/86/373277186.db2.gz MHKKMQVDNFELFP-UHFFFAOYSA-N 2 2 312.418 -1.028 20 0 DAADLP Cn1cnn(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000617763304 373277195 /nfs/dbraw/zinc/27/71/95/373277195.db2.gz MHKKMQVDNFELFP-UHFFFAOYSA-N 2 2 312.418 -1.028 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000343082975 373246028 /nfs/dbraw/zinc/24/60/28/373246028.db2.gz GBDLZGCAQJRZNZ-FRRDWIJNSA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000343082975 373246034 /nfs/dbraw/zinc/24/60/34/373246034.db2.gz GBDLZGCAQJRZNZ-FRRDWIJNSA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000343082975 373246045 /nfs/dbraw/zinc/24/60/45/373246045.db2.gz GBDLZGCAQJRZNZ-FRRDWIJNSA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000343082975 373246049 /nfs/dbraw/zinc/24/60/49/373246049.db2.gz GBDLZGCAQJRZNZ-FRRDWIJNSA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488548 373249993 /nfs/dbraw/zinc/24/99/93/373249993.db2.gz BNWMTPYHICGQAD-GFCCVEGCSA-N 2 2 316.402 -1.695 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488548 373250005 /nfs/dbraw/zinc/25/00/05/373250005.db2.gz BNWMTPYHICGQAD-GFCCVEGCSA-N 2 2 316.402 -1.695 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986794 373256101 /nfs/dbraw/zinc/25/61/01/373256101.db2.gz BZHBBEKYFAAPHD-UHFFFAOYSA-N 3 2 318.381 -1.139 20 0 DAADLP C[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717167 373259244 /nfs/dbraw/zinc/25/92/44/373259244.db2.gz VFYMXRVDUJVKGI-OLZOCXBDSA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717167 373259248 /nfs/dbraw/zinc/25/92/48/373259248.db2.gz VFYMXRVDUJVKGI-OLZOCXBDSA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000571821305 373328682 /nfs/dbraw/zinc/32/86/82/373328682.db2.gz MHEKFXYQCJLYPF-QNWHQSFQSA-N 2 2 310.398 -1.134 20 0 DAADLP C[C@@H]1CN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000571821305 373328690 /nfs/dbraw/zinc/32/86/90/373328690.db2.gz MHEKFXYQCJLYPF-QNWHQSFQSA-N 2 2 310.398 -1.134 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572060160 373328916 /nfs/dbraw/zinc/32/89/16/373328916.db2.gz STEANVRRPKANHP-MROQNXINSA-N 2 2 310.398 -1.086 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572060160 373328923 /nfs/dbraw/zinc/32/89/23/373328923.db2.gz STEANVRRPKANHP-MROQNXINSA-N 2 2 310.398 -1.086 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639947992 373305982 /nfs/dbraw/zinc/30/59/82/373305982.db2.gz YWBBZGGKSMPINS-GASCZTMLSA-N 2 2 308.382 -1.255 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639947992 373305989 /nfs/dbraw/zinc/30/59/89/373305989.db2.gz YWBBZGGKSMPINS-GASCZTMLSA-N 2 2 308.382 -1.255 20 0 DAADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639947993 373307197 /nfs/dbraw/zinc/30/71/97/373307197.db2.gz YWBBZGGKSMPINS-GJZGRUSLSA-N 2 2 308.382 -1.255 20 0 DAADLP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[NH+]1CCOCC1 ZINC000419302486 373320891 /nfs/dbraw/zinc/32/08/91/373320891.db2.gz PTAUBBXRVJGXJL-JTQLQIEISA-N 2 2 322.356 -1.219 20 0 DAADLP CC(C)Nc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000420253383 373324095 /nfs/dbraw/zinc/32/40/95/373324095.db2.gz DLRNCFSPSYSABA-VXGBXAGGSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420253383 373324101 /nfs/dbraw/zinc/32/41/01/373324101.db2.gz DLRNCFSPSYSABA-VXGBXAGGSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000420253383 373324103 /nfs/dbraw/zinc/32/41/03/373324103.db2.gz DLRNCFSPSYSABA-VXGBXAGGSA-N 2 2 321.429 -1.014 20 0 DAADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000643483880 373326578 /nfs/dbraw/zinc/32/65/78/373326578.db2.gz MZMOUBHSZJBYRU-DGCLKSJQSA-N 2 2 310.398 -1.132 20 0 DAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000643483879 373326726 /nfs/dbraw/zinc/32/67/26/373326726.db2.gz MZMOUBHSZJBYRU-AAEUAGOBSA-N 2 2 310.398 -1.132 20 0 DAADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H](C)O1 ZINC000571821303 373326863 /nfs/dbraw/zinc/32/68/63/373326863.db2.gz MHEKFXYQCJLYPF-FDYHWXHSSA-N 2 2 310.398 -1.134 20 0 DAADLP C[C@@H]1CN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H](C)O1 ZINC000571821303 373326865 /nfs/dbraw/zinc/32/68/65/373326865.db2.gz MHEKFXYQCJLYPF-FDYHWXHSSA-N 2 2 310.398 -1.134 20 0 DAADLP C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000261938974 373331571 /nfs/dbraw/zinc/33/15/71/373331571.db2.gz ZVRMUOHQLQBGEP-LLVKDONJSA-N 2 2 319.431 -2.030 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCN2CCNC(=O)C2)C[C@H](C)O1 ZINC000572276770 373331634 /nfs/dbraw/zinc/33/16/34/373331634.db2.gz GQQVYBJAXCTEBR-MJBXVCDLSA-N 2 2 314.430 -1.522 20 0 DAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCN2CCNC(=O)C2)C[C@H](C)O1 ZINC000572276770 373331637 /nfs/dbraw/zinc/33/16/37/373331637.db2.gz GQQVYBJAXCTEBR-MJBXVCDLSA-N 2 2 314.430 -1.522 20 0 DAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(CC(C)(C)[NH3+])CC2)CC1 ZINC000262013864 373334884 /nfs/dbraw/zinc/33/48/84/373334884.db2.gz VKBJVHNRRPQONV-UHFFFAOYSA-N 2 2 319.475 -1.167 20 0 DAADLP COC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262217851 373334965 /nfs/dbraw/zinc/33/49/65/373334965.db2.gz FLEUKQZPSZCLSV-LBPRGKRZSA-N 2 2 308.386 -1.312 20 0 DAADLP COC[C@@]1(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)CC[NH2+]C1 ZINC000580428934 373344907 /nfs/dbraw/zinc/34/49/07/373344907.db2.gz GZQHDVUWXCNZPG-OAHLLOKOSA-N 2 2 312.414 -1.107 20 0 DAADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000423430316 373345619 /nfs/dbraw/zinc/34/56/19/373345619.db2.gz TZUVQWXFLDSOLF-UHFFFAOYSA-N 2 2 318.381 -1.135 20 0 DAADLP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000629801056 373406069 /nfs/dbraw/zinc/40/60/69/373406069.db2.gz HLOBRNXDARSYNI-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP C[NH+]1CCN(Cc2cn(CC(=O)N3CC[NH+](C)CC3)nn2)CC1 ZINC000640836901 373418285 /nfs/dbraw/zinc/41/82/85/373418285.db2.gz GRFVKDWLTWOHCT-UHFFFAOYSA-N 2 2 321.429 -1.201 20 0 DAADLP NS(=O)(=O)CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000641798135 373425984 /nfs/dbraw/zinc/42/59/84/373425984.db2.gz LDFZNPBAEMRVAE-LLVKDONJSA-N 2 2 304.416 -1.439 20 0 DAADLP NS(=O)(=O)CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000641798135 373425992 /nfs/dbraw/zinc/42/59/92/373425992.db2.gz LDFZNPBAEMRVAE-LLVKDONJSA-N 2 2 304.416 -1.439 20 0 DAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCCO)CC2)CC1 ZINC000171064505 373393340 /nfs/dbraw/zinc/39/33/40/373393340.db2.gz UPULJJKLNYJPRP-UHFFFAOYSA-N 2 2 320.459 -1.131 20 0 DAADLP COC[C@@]1(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000629606317 373400507 /nfs/dbraw/zinc/40/05/07/373400507.db2.gz FOLQMAPXYAHCQI-DZGCQCFKSA-N 2 2 315.414 -1.236 20 0 DAADLP O=C(NC[C@H]1COCC[NH2+]1)N(CCO)CC[NH+]1CCOCC1 ZINC000627187705 373455688 /nfs/dbraw/zinc/45/56/88/373455688.db2.gz SAIMBIQQLUTEKS-ZDUSSCGKSA-N 2 2 316.402 -1.689 20 0 DAADLP C[NH2+]CCOCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000627175502 373456193 /nfs/dbraw/zinc/45/61/93/373456193.db2.gz TUZCEYNVERXSQT-ZDUSSCGKSA-N 2 2 318.418 -1.443 20 0 DAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237495513 373458422 /nfs/dbraw/zinc/45/84/22/373458422.db2.gz JIIRODUDKBBRBG-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCOCCC[NH3+] ZINC000627216580 373461657 /nfs/dbraw/zinc/46/16/57/373461657.db2.gz WZQHBFDJALOADP-CYBMUJFWSA-N 2 2 318.418 -1.314 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000567801339 373536047 /nfs/dbraw/zinc/53/60/47/373536047.db2.gz WWUZLKMAHRAFLF-NSHDSACASA-N 2 2 309.370 -1.045 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000565032735 373518233 /nfs/dbraw/zinc/51/82/33/373518233.db2.gz GEUBBCYLELHGFI-JTQLQIEISA-N 2 2 300.359 -1.843 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565238091 373521860 /nfs/dbraw/zinc/52/18/60/373521860.db2.gz FMFUVVYNFSHBRI-MJBXVCDLSA-N 3 2 323.441 -1.217 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565238091 373521868 /nfs/dbraw/zinc/52/18/68/373521868.db2.gz FMFUVVYNFSHBRI-MJBXVCDLSA-N 3 2 323.441 -1.217 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2nnnc2C[NH3+])C1 ZINC000567046143 373531394 /nfs/dbraw/zinc/53/13/94/373531394.db2.gz SBITWAOEMQFXJU-NSHDSACASA-N 2 2 311.390 -1.395 20 0 DAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2nnnc2C[NH3+])C1 ZINC000567046143 373531398 /nfs/dbraw/zinc/53/13/98/373531398.db2.gz SBITWAOEMQFXJU-NSHDSACASA-N 2 2 311.390 -1.395 20 0 DAADLP C[NH+]1CCN(C(=O)CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000580716429 373597003 /nfs/dbraw/zinc/59/70/03/373597003.db2.gz GZUJPEQBNATHNO-UHFFFAOYSA-N 2 2 311.386 -2.302 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000580948371 373597385 /nfs/dbraw/zinc/59/73/85/373597385.db2.gz VNRSFHCUQCOGPS-XQQFMLRXSA-N 2 2 323.459 -1.063 20 0 DAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000580948371 373597394 /nfs/dbraw/zinc/59/73/94/373597394.db2.gz VNRSFHCUQCOGPS-XQQFMLRXSA-N 2 2 323.459 -1.063 20 0 DAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](C[NH3+])C1 ZINC000567830107 373537647 /nfs/dbraw/zinc/53/76/47/373537647.db2.gz OOMFORWELGCOSF-IAQYHMDHSA-N 2 2 323.397 -1.192 20 0 DAADLP C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](C[NH3+])C1 ZINC000567830107 373537658 /nfs/dbraw/zinc/53/76/58/373537658.db2.gz OOMFORWELGCOSF-IAQYHMDHSA-N 2 2 323.397 -1.192 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000567908709 373539771 /nfs/dbraw/zinc/53/97/71/373539771.db2.gz HZWVCISZFHHCLM-ZDUSSCGKSA-N 2 2 303.366 -1.014 20 0 DAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568415863 373544821 /nfs/dbraw/zinc/54/48/21/373544821.db2.gz GMIOALMYMJZAQA-NSHDSACASA-N 2 2 306.370 -1.468 20 0 DAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268182 373545925 /nfs/dbraw/zinc/54/59/25/373545925.db2.gz SHGWQTUTGLYHTB-NWDGAFQWSA-N 2 2 323.397 -1.001 20 0 DAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268182 373545933 /nfs/dbraw/zinc/54/59/33/373545933.db2.gz SHGWQTUTGLYHTB-NWDGAFQWSA-N 2 2 323.397 -1.001 20 0 DAADLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ncnc2nc[nH]c21 ZINC000573805492 373555578 /nfs/dbraw/zinc/55/55/78/373555578.db2.gz FDFJJGBTNXLDFM-SNVBAGLBSA-N 2 2 318.385 -1.110 20 0 DAADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ncnc2nc[nH]c21 ZINC000573805492 373555584 /nfs/dbraw/zinc/55/55/84/373555584.db2.gz FDFJJGBTNXLDFM-SNVBAGLBSA-N 2 2 318.385 -1.110 20 0 DAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762899 373563701 /nfs/dbraw/zinc/56/37/01/373563701.db2.gz KBRRDHVPLUPFLU-VXGBXAGGSA-N 2 2 316.365 -1.260 20 0 DAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762899 373563711 /nfs/dbraw/zinc/56/37/11/373563711.db2.gz KBRRDHVPLUPFLU-VXGBXAGGSA-N 2 2 316.365 -1.260 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000575812420 373566690 /nfs/dbraw/zinc/56/66/90/373566690.db2.gz LXMDBYCRSPTYIO-NEPJUHHUSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000575812420 373566697 /nfs/dbraw/zinc/56/66/97/373566697.db2.gz LXMDBYCRSPTYIO-NEPJUHHUSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000575812420 373566703 /nfs/dbraw/zinc/56/67/03/373566703.db2.gz LXMDBYCRSPTYIO-NEPJUHHUSA-N 2 2 309.432 -1.322 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000577277940 373572526 /nfs/dbraw/zinc/57/25/26/373572526.db2.gz GWKZLADDCMBAHO-UHFFFAOYSA-N 2 2 306.370 -1.514 20 0 DAADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000577111864 373572696 /nfs/dbraw/zinc/57/26/96/373572696.db2.gz UNFGCUONVJZICC-MRVPVSSYSA-N 2 2 309.370 -1.292 20 0 DAADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577121634 373573139 /nfs/dbraw/zinc/57/31/39/373573139.db2.gz HCPZHJMLCZEHGL-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577121634 373573145 /nfs/dbraw/zinc/57/31/45/373573145.db2.gz HCPZHJMLCZEHGL-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000577121634 373573164 /nfs/dbraw/zinc/57/31/64/373573164.db2.gz HCPZHJMLCZEHGL-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NCCOC)CC1 ZINC000577046893 373574718 /nfs/dbraw/zinc/57/47/18/373574718.db2.gz SQXVAAJXYKUFDI-AWEZNQCLSA-N 2 2 316.446 -1.321 20 0 DAADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NCCOC)CC1 ZINC000577046893 373574726 /nfs/dbraw/zinc/57/47/26/373574726.db2.gz SQXVAAJXYKUFDI-AWEZNQCLSA-N 2 2 316.446 -1.321 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577292358 373575257 /nfs/dbraw/zinc/57/52/57/373575257.db2.gz IVCKYSFYMDWBAI-AXFHLTTASA-N 2 2 311.386 -1.147 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577292358 373575263 /nfs/dbraw/zinc/57/52/63/373575263.db2.gz IVCKYSFYMDWBAI-AXFHLTTASA-N 2 2 311.386 -1.147 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313797 373646562 /nfs/dbraw/zinc/64/65/62/373646562.db2.gz MVZQYYQAEFHURS-OLZOCXBDSA-N 3 2 323.441 -1.251 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313797 373646575 /nfs/dbraw/zinc/64/65/75/373646575.db2.gz MVZQYYQAEFHURS-OLZOCXBDSA-N 3 2 323.441 -1.251 20 0 DAADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000627351855 373655019 /nfs/dbraw/zinc/65/50/19/373655019.db2.gz FGACKIWJJARJBY-GFCCVEGCSA-N 2 2 321.381 -1.132 20 0 DAADLP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632214056 373709753 /nfs/dbraw/zinc/70/97/53/373709753.db2.gz QMJDWJRYJUTANF-NEPJUHHUSA-N 2 2 307.416 -1.697 20 0 DAADLP C[N@H+]1CC[C@](O)(CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632214056 373709757 /nfs/dbraw/zinc/70/97/57/373709757.db2.gz QMJDWJRYJUTANF-NEPJUHHUSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@](O)(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632214056 373709761 /nfs/dbraw/zinc/70/97/61/373709761.db2.gz QMJDWJRYJUTANF-NEPJUHHUSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@](O)(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632214056 373709766 /nfs/dbraw/zinc/70/97/66/373709766.db2.gz QMJDWJRYJUTANF-NEPJUHHUSA-N 2 2 307.416 -1.697 20 0 DAADLP COCC[N@H+](C)CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632255559 373712010 /nfs/dbraw/zinc/71/20/10/373712010.db2.gz WWOAZTKXTMKAJT-GFCCVEGCSA-N 2 2 309.432 -1.185 20 0 DAADLP COCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632255559 373712024 /nfs/dbraw/zinc/71/20/24/373712024.db2.gz WWOAZTKXTMKAJT-GFCCVEGCSA-N 2 2 309.432 -1.185 20 0 DAADLP COCC[NH+](C)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632255559 373712039 /nfs/dbraw/zinc/71/20/39/373712039.db2.gz WWOAZTKXTMKAJT-GFCCVEGCSA-N 2 2 309.432 -1.185 20 0 DAADLP COCC[NH+](C)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632255559 373712045 /nfs/dbraw/zinc/71/20/45/373712045.db2.gz WWOAZTKXTMKAJT-GFCCVEGCSA-N 2 2 309.432 -1.185 20 0 DAADLP CCOC1CC(CNc2nc(N)[nH+]c(N)n2)([NH+]2CCOCC2)C1 ZINC000624160670 373667631 /nfs/dbraw/zinc/66/76/31/373667631.db2.gz GNKOBKPBJVALKQ-UHFFFAOYSA-N 2 2 323.401 -1.200 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627359058 373670950 /nfs/dbraw/zinc/67/09/50/373670950.db2.gz YPVQJNSUSSZLCH-LBPRGKRZSA-N 2 2 316.402 -1.695 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000627359010 373671937 /nfs/dbraw/zinc/67/19/37/373671937.db2.gz XMQZYHVVMDQRLU-GFCCVEGCSA-N 2 2 316.402 -1.825 20 0 DAADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473159 373680785 /nfs/dbraw/zinc/68/07/85/373680785.db2.gz IFTLOPUHJAARRB-QWHCGFSZSA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473159 373680796 /nfs/dbraw/zinc/68/07/96/373680796.db2.gz IFTLOPUHJAARRB-QWHCGFSZSA-N 2 2 312.414 -1.110 20 0 DAADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627472593 373681112 /nfs/dbraw/zinc/68/11/12/373681112.db2.gz UICCJXYNPDAILU-NSHDSACASA-N 2 2 316.427 -1.744 20 0 DAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000627473173 373682546 /nfs/dbraw/zinc/68/25/46/373682546.db2.gz ILZDRWFGRNSGBW-CYBMUJFWSA-N 2 2 310.398 -1.355 20 0 DAADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473160 373682697 /nfs/dbraw/zinc/68/26/97/373682697.db2.gz IFTLOPUHJAARRB-STQMWFEESA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473160 373682701 /nfs/dbraw/zinc/68/27/01/373682701.db2.gz IFTLOPUHJAARRB-STQMWFEESA-N 2 2 312.414 -1.110 20 0 DAADLP CN(C)c1[nH+]cc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)n1C ZINC000631920420 373700953 /nfs/dbraw/zinc/70/09/53/373700953.db2.gz ZDYXEBZAUQQWTH-NSHDSACASA-N 2 2 317.415 -1.106 20 0 DAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631928177 373701546 /nfs/dbraw/zinc/70/15/46/373701546.db2.gz SJXLKWFTZNJPOT-OLZOCXBDSA-N 2 2 319.427 -1.289 20 0 DAADLP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632135947 373706080 /nfs/dbraw/zinc/70/60/80/373706080.db2.gz HTIRRLNYACKLOU-VXGBXAGGSA-N 2 2 309.432 -1.451 20 0 DAADLP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632135947 373706087 /nfs/dbraw/zinc/70/60/87/373706087.db2.gz HTIRRLNYACKLOU-VXGBXAGGSA-N 2 2 309.432 -1.451 20 0 DAADLP C[NH+]1CCC(O)(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632020701 373707817 /nfs/dbraw/zinc/70/78/17/373707817.db2.gz MYQHIBOBLPGNAP-LBPRGKRZSA-N 2 2 321.443 -1.307 20 0 DAADLP C[NH+]1CCC(O)(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632020701 373707827 /nfs/dbraw/zinc/70/78/27/373707827.db2.gz MYQHIBOBLPGNAP-LBPRGKRZSA-N 2 2 321.443 -1.307 20 0 DAADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000633111778 373730627 /nfs/dbraw/zinc/73/06/27/373730627.db2.gz SWUJTECSCFTNJY-HZSPNIEDSA-N 2 2 322.409 -1.118 20 0 DAADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633109469 373730916 /nfs/dbraw/zinc/73/09/16/373730916.db2.gz CFEMHUDDXUNTIA-AVGNSLFASA-N 2 2 308.382 -1.508 20 0 DAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000633118015 373731278 /nfs/dbraw/zinc/73/12/78/373731278.db2.gz HJDUMMYPNLGPJY-JHJVBQTASA-N 2 2 310.398 -1.132 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343314544 335066371 /nfs/dbraw/zinc/06/63/71/335066371.db2.gz WHAWBQWCOLFSBS-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000343314544 335066373 /nfs/dbraw/zinc/06/63/73/335066373.db2.gz WHAWBQWCOLFSBS-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653148598 409328364 /nfs/dbraw/zinc/32/83/64/409328364.db2.gz FEOHGFHWRSOFBP-BBRMVZONSA-N 2 2 324.425 -1.107 20 0 DAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653148598 409328370 /nfs/dbraw/zinc/32/83/70/409328370.db2.gz FEOHGFHWRSOFBP-BBRMVZONSA-N 2 2 324.425 -1.107 20 0 DAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636746316 409386506 /nfs/dbraw/zinc/38/65/06/409386506.db2.gz GPNRJIZTIWPAGC-UONOGXRCSA-N 2 2 313.446 -1.012 20 0 DAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636746316 409386513 /nfs/dbraw/zinc/38/65/13/409386513.db2.gz GPNRJIZTIWPAGC-UONOGXRCSA-N 2 2 313.446 -1.012 20 0 DAADLP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000644885466 409389503 /nfs/dbraw/zinc/38/95/03/409389503.db2.gz OBOGXEYWXHWHOU-ZIAGYGMSSA-N 2 2 312.414 -1.814 20 0 DAADLP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000644885466 409389506 /nfs/dbraw/zinc/38/95/06/409389506.db2.gz OBOGXEYWXHWHOU-ZIAGYGMSSA-N 2 2 312.414 -1.814 20 0 DAADLP C[NH+]1CCN(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000644885840 409390254 /nfs/dbraw/zinc/39/02/54/409390254.db2.gz LTNVAQFQXIOOGW-CYBMUJFWSA-N 2 2 300.403 -1.957 20 0 DAADLP CCO[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H]1C[NH3+] ZINC000652687682 409391525 /nfs/dbraw/zinc/39/15/25/409391525.db2.gz JQRMRUNBLPNVSD-GHMZBOCLSA-N 2 2 309.370 -1.142 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000518182819 409332924 /nfs/dbraw/zinc/33/29/24/409332924.db2.gz NSRCUDHNJFEATN-GFCCVEGCSA-N 2 2 323.397 -2.159 20 0 DAADLP CS(=O)(=O)NCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408152619 409334359 /nfs/dbraw/zinc/33/43/59/409334359.db2.gz CDCFRFNYMREBLH-UHFFFAOYSA-N 2 2 321.443 -1.305 20 0 DAADLP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000155211139 409342383 /nfs/dbraw/zinc/34/23/83/409342383.db2.gz PULOZHSXGMOQJD-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000237921897 409343250 /nfs/dbraw/zinc/34/32/50/409343250.db2.gz PVUHIYAEMSPWBZ-CHWSQXEVSA-N 2 2 310.398 -1.273 20 0 DAADLP CN(C)S(=O)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647874793 409402281 /nfs/dbraw/zinc/40/22/81/409402281.db2.gz YXWAYTYKCKZTIA-UHFFFAOYSA-N 2 2 305.448 -1.684 20 0 DAADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C[NH+]1CCOCC1 ZINC000638091188 409403067 /nfs/dbraw/zinc/40/30/67/409403067.db2.gz REIPVCFBTVNBPM-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1=O ZINC000638125650 409403861 /nfs/dbraw/zinc/40/38/61/409403861.db2.gz FXTMNHGTQSIPCP-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COCC[NH3+])CC1 ZINC000645287794 409404516 /nfs/dbraw/zinc/40/45/16/409404516.db2.gz CBGBDVIZTCEBDL-UHFFFAOYSA-N 2 2 319.369 -1.013 20 0 DAADLP C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH2+]CC1=O ZINC000638131501 409407066 /nfs/dbraw/zinc/40/70/66/409407066.db2.gz FHEXELQARIYUFI-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330531410 409419570 /nfs/dbraw/zinc/41/95/70/409419570.db2.gz NFRXKZMMKXMVGD-AVGNSLFASA-N 2 2 301.387 -1.485 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330531410 409419575 /nfs/dbraw/zinc/41/95/75/409419575.db2.gz NFRXKZMMKXMVGD-AVGNSLFASA-N 2 2 301.387 -1.485 20 0 DAADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000125420157 409422238 /nfs/dbraw/zinc/42/22/38/409422238.db2.gz AVSURQJHYLDZQM-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647988375 409426977 /nfs/dbraw/zinc/42/69/77/409426977.db2.gz BAYOBVDPELJFAX-LBPRGKRZSA-N 2 2 308.382 -1.111 20 0 DAADLP Cn1c2ncn(CC[N@@H+]3CCC[C@@H]3C[NH3+])c2c(=O)n(C)c1=O ZINC000346593024 409443327 /nfs/dbraw/zinc/44/33/27/409443327.db2.gz MMCVRUGHHDKXKP-SNVBAGLBSA-N 2 2 306.370 -1.143 20 0 DAADLP Cn1c2ncn(CC[N@H+]3CCC[C@@H]3C[NH3+])c2c(=O)n(C)c1=O ZINC000346593024 409443330 /nfs/dbraw/zinc/44/33/30/409443330.db2.gz MMCVRUGHHDKXKP-SNVBAGLBSA-N 2 2 306.370 -1.143 20 0 DAADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000347662288 409444983 /nfs/dbraw/zinc/44/49/83/409444983.db2.gz ZFYOJTDJBKPNRB-UHFFFAOYSA-N 2 2 322.413 -1.244 20 0 DAADLP O=C(CCOC1C[NH2+]C1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000349033485 409454279 /nfs/dbraw/zinc/45/42/79/409454279.db2.gz ZZFOKLNNHIWGJO-UHFFFAOYSA-N 2 2 314.386 -2.071 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332635023 409462245 /nfs/dbraw/zinc/46/22/45/409462245.db2.gz FHECMUDHQVZMJX-KGLIPLIRSA-N 2 2 324.425 -1.155 20 0 DAADLP C[NH+](CC1(C[N@@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799739 409472479 /nfs/dbraw/zinc/47/24/79/409472479.db2.gz GFAROQROOKXRMR-MQYQWHSLSA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799739 409472484 /nfs/dbraw/zinc/47/24/84/409472484.db2.gz GFAROQROOKXRMR-MQYQWHSLSA-N 2 2 316.398 -1.614 20 0 DAADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353204720 409474865 /nfs/dbraw/zinc/47/48/65/409474865.db2.gz NLXXALMEMGXGKI-UWVGGRQHSA-N 2 2 300.359 -1.715 20 0 DAADLP C[NH2+]CCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000357246514 409490694 /nfs/dbraw/zinc/49/06/94/409490694.db2.gz XSJJRFCYVJEXOO-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000429046592 409563122 /nfs/dbraw/zinc/56/31/22/409563122.db2.gz NAVJOFRIQOWMGQ-KBPBESRZSA-N 2 2 324.425 -1.026 20 0 DAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358724281 409500486 /nfs/dbraw/zinc/50/04/86/409500486.db2.gz QRMHSXYDCCBNTD-UKRRQHHQSA-N 2 2 313.446 -1.012 20 0 DAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358724281 409500487 /nfs/dbraw/zinc/50/04/87/409500487.db2.gz QRMHSXYDCCBNTD-UKRRQHHQSA-N 2 2 313.446 -1.012 20 0 DAADLP CC[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000359234407 409500687 /nfs/dbraw/zinc/50/06/87/409500687.db2.gz QHTCARDLCSIQQW-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359316904 409500966 /nfs/dbraw/zinc/50/09/66/409500966.db2.gz YYFXRRXCJDEQTA-OKILXGFUSA-N 2 2 323.441 -1.630 20 0 DAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359316904 409500968 /nfs/dbraw/zinc/50/09/68/409500968.db2.gz YYFXRRXCJDEQTA-OKILXGFUSA-N 2 2 323.441 -1.630 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367372098 409507701 /nfs/dbraw/zinc/50/77/01/409507701.db2.gz PQCYHIUWFAGIRD-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367372098 409507706 /nfs/dbraw/zinc/50/77/06/409507706.db2.gz PQCYHIUWFAGIRD-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP O=C(CNC(=O)CC1CC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000431064457 409568042 /nfs/dbraw/zinc/56/80/42/409568042.db2.gz JMWOCPRVSHDKSS-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000361382299 409509600 /nfs/dbraw/zinc/50/96/00/409509600.db2.gz UPLWNYDRFKPPPE-ZDUSSCGKSA-N 2 2 320.459 -1.040 20 0 DAADLP CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000361382299 409509608 /nfs/dbraw/zinc/50/96/08/409509608.db2.gz UPLWNYDRFKPPPE-ZDUSSCGKSA-N 2 2 320.459 -1.040 20 0 DAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420151372 409539654 /nfs/dbraw/zinc/53/96/54/409539654.db2.gz MXVMPLSIUOKCCT-UHFFFAOYSA-N 2 2 322.356 -1.076 20 0 DAADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420151372 409539661 /nfs/dbraw/zinc/53/96/61/409539661.db2.gz MXVMPLSIUOKCCT-UHFFFAOYSA-N 2 2 322.356 -1.076 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423039680 409546032 /nfs/dbraw/zinc/54/60/32/409546032.db2.gz QXVMOHUJPUCBPK-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423033038 409547253 /nfs/dbraw/zinc/54/72/53/409547253.db2.gz GDQZMFVTQHFXOU-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP Cn1c(N)c(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c(=O)n(C)c1=O ZINC000520814250 409550146 /nfs/dbraw/zinc/55/01/46/409550146.db2.gz HSHVIFJKPHXPKF-AWEZNQCLSA-N 2 2 309.370 -1.434 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000520818496 409550628 /nfs/dbraw/zinc/55/06/28/409550628.db2.gz PNYSSOASOYCBIB-AAEUAGOBSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000520818496 409550637 /nfs/dbraw/zinc/55/06/37/409550637.db2.gz PNYSSOASOYCBIB-AAEUAGOBSA-N 2 2 300.403 -1.077 20 0 DAADLP COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646833170 409632816 /nfs/dbraw/zinc/63/28/16/409632816.db2.gz KAVRSPMKEPMYBO-NSHDSACASA-N 2 2 322.431 -1.956 20 0 DAADLP COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646833170 409632823 /nfs/dbraw/zinc/63/28/23/409632823.db2.gz KAVRSPMKEPMYBO-NSHDSACASA-N 2 2 322.431 -1.956 20 0 DAADLP COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646833169 409634748 /nfs/dbraw/zinc/63/47/48/409634748.db2.gz KAVRSPMKEPMYBO-LLVKDONJSA-N 2 2 322.431 -1.956 20 0 DAADLP COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646833169 409634753 /nfs/dbraw/zinc/63/47/53/409634753.db2.gz KAVRSPMKEPMYBO-LLVKDONJSA-N 2 2 322.431 -1.956 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569735 409639925 /nfs/dbraw/zinc/63/99/25/409639925.db2.gz WXTCEOTYSWXGQG-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569735 409639931 /nfs/dbraw/zinc/63/99/31/409639931.db2.gz WXTCEOTYSWXGQG-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000646003183 409602601 /nfs/dbraw/zinc/60/26/01/409602601.db2.gz VUAYBMLNDKXQSW-AWEZNQCLSA-N 2 2 323.441 -1.343 20 0 DAADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000646003183 409602613 /nfs/dbraw/zinc/60/26/13/409602613.db2.gz VUAYBMLNDKXQSW-AWEZNQCLSA-N 2 2 323.441 -1.343 20 0 DAADLP Cn1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574411 409605873 /nfs/dbraw/zinc/60/58/73/409605873.db2.gz APOLROQZTCYEOT-ITKZLYELSA-N 2 2 321.381 -1.802 20 0 DAADLP Cn1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574411 409605882 /nfs/dbraw/zinc/60/58/82/409605882.db2.gz APOLROQZTCYEOT-ITKZLYELSA-N 2 2 321.381 -1.802 20 0 DAADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659718131 409694177 /nfs/dbraw/zinc/69/41/77/409694177.db2.gz NTJDJWNLCXWBAP-CHWSQXEVSA-N 2 2 310.398 -1.227 20 0 DAADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659722921 409694909 /nfs/dbraw/zinc/69/49/09/409694909.db2.gz NUADAYNCDFPVIR-AWEZNQCLSA-N 2 2 322.409 -1.045 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743295 409698299 /nfs/dbraw/zinc/69/82/99/409698299.db2.gz MAQOHRRLYFWGIO-XIKARTHZSA-N 2 2 310.398 -1.309 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743295 409698303 /nfs/dbraw/zinc/69/83/03/409698303.db2.gz MAQOHRRLYFWGIO-XIKARTHZSA-N 2 2 310.398 -1.309 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000659751274 409698869 /nfs/dbraw/zinc/69/88/69/409698869.db2.gz FXPVXXJYSJSEPF-NSHDSACASA-N 2 2 300.403 -1.063 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000659751274 409698878 /nfs/dbraw/zinc/69/88/78/409698878.db2.gz FXPVXXJYSJSEPF-NSHDSACASA-N 2 2 300.403 -1.063 20 0 DAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659731193 409698981 /nfs/dbraw/zinc/69/89/81/409698981.db2.gz JSLGAZFLRWLGSN-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000662427832 409709111 /nfs/dbraw/zinc/70/91/11/409709111.db2.gz CFCBLTCRQUATAR-WDEREUQCSA-N 2 2 319.431 -1.997 20 0 DAADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000662427832 409709113 /nfs/dbraw/zinc/70/91/13/409709113.db2.gz CFCBLTCRQUATAR-WDEREUQCSA-N 2 2 319.431 -1.997 20 0 DAADLP CS(=O)(=O)N1CCC[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288466 409709576 /nfs/dbraw/zinc/70/95/76/409709576.db2.gz HZQRSKBVVOQGOM-NEPJUHHUSA-N 2 2 309.432 -1.728 20 0 DAADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288466 409709584 /nfs/dbraw/zinc/70/95/84/409709584.db2.gz HZQRSKBVVOQGOM-NEPJUHHUSA-N 2 2 309.432 -1.728 20 0 DAADLP NC(=O)c1ccc(NC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662287911 409710359 /nfs/dbraw/zinc/71/03/59/409710359.db2.gz CMLLYYQRUXPVSP-CYBMUJFWSA-N 2 2 324.381 -1.272 20 0 DAADLP NC(=O)c1ccc(NC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662287911 409710370 /nfs/dbraw/zinc/71/03/70/409710370.db2.gz CMLLYYQRUXPVSP-CYBMUJFWSA-N 2 2 324.381 -1.272 20 0 DAADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466607 409659254 /nfs/dbraw/zinc/65/92/54/409659254.db2.gz UMKSTDRRSJNNTG-BDAKNGLRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466607 409659263 /nfs/dbraw/zinc/65/92/63/409659263.db2.gz UMKSTDRRSJNNTG-BDAKNGLRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000576348630 409660060 /nfs/dbraw/zinc/66/00/60/409660060.db2.gz DSFMAXKRQJPXBJ-OLZOCXBDSA-N 3 2 311.430 -1.502 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000576348630 409660067 /nfs/dbraw/zinc/66/00/67/409660067.db2.gz DSFMAXKRQJPXBJ-OLZOCXBDSA-N 3 2 311.430 -1.502 20 0 DAADLP CN1CC(=O)N(CCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000581429813 409663716 /nfs/dbraw/zinc/66/37/16/409663716.db2.gz IQGAMSHQACGAEM-NSHDSACASA-N 2 2 311.386 -1.238 20 0 DAADLP CN1CC(=O)N(CCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000581429813 409663727 /nfs/dbraw/zinc/66/37/27/409663727.db2.gz IQGAMSHQACGAEM-NSHDSACASA-N 2 2 311.386 -1.238 20 0 DAADLP CN1CC(=O)N(CCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000581429812 409664562 /nfs/dbraw/zinc/66/45/62/409664562.db2.gz IQGAMSHQACGAEM-LLVKDONJSA-N 2 2 311.386 -1.238 20 0 DAADLP CN1CC(=O)N(CCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000581429812 409664567 /nfs/dbraw/zinc/66/45/67/409664567.db2.gz IQGAMSHQACGAEM-LLVKDONJSA-N 2 2 311.386 -1.238 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682655 409688411 /nfs/dbraw/zinc/68/84/11/409688411.db2.gz MVZQYYQAEFHURS-QWHCGFSZSA-N 3 2 323.441 -1.251 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682655 409688423 /nfs/dbraw/zinc/68/84/23/409688423.db2.gz MVZQYYQAEFHURS-QWHCGFSZSA-N 3 2 323.441 -1.251 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659697446 409690252 /nfs/dbraw/zinc/69/02/52/409690252.db2.gz HDXYKOYTIDSZHH-IJLUTSLNSA-N 2 2 316.377 -1.279 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000659703839 409690880 /nfs/dbraw/zinc/69/08/80/409690880.db2.gz HYWIGCIHTKRUNE-SDDRHHMPSA-N 2 2 300.403 -1.064 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000662955966 409721654 /nfs/dbraw/zinc/72/16/54/409721654.db2.gz LFQZNKZILRKWLX-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662953545 409722476 /nfs/dbraw/zinc/72/24/76/409722476.db2.gz KDTHCVVGFPTYRQ-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000662957063 409722562 /nfs/dbraw/zinc/72/25/62/409722562.db2.gz FAWKQBLMJWMHTG-FRRDWIJNSA-N 2 2 310.398 -1.275 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662965245 409723033 /nfs/dbraw/zinc/72/30/33/409723033.db2.gz IQICHVCJWFFVNF-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662990197 409723505 /nfs/dbraw/zinc/72/35/05/409723505.db2.gz PLZZXOPIDMHRNL-QJPTWQEYSA-N 2 2 316.377 -1.591 20 0 DAADLP Cn1nnnc1CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664572317 409732161 /nfs/dbraw/zinc/73/21/61/409732161.db2.gz PSAKIBKLWTYNEQ-UHFFFAOYSA-N 2 2 312.422 -1.065 20 0 DAADLP Cn1nnnc1CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664572317 409732169 /nfs/dbraw/zinc/73/21/69/409732169.db2.gz PSAKIBKLWTYNEQ-UHFFFAOYSA-N 2 2 312.422 -1.065 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662632657 409713377 /nfs/dbraw/zinc/71/33/77/409713377.db2.gz SHAXXBPNMPAEIZ-ZDUSSCGKSA-N 3 2 313.446 -1.146 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662632657 409713380 /nfs/dbraw/zinc/71/33/80/409713380.db2.gz SHAXXBPNMPAEIZ-ZDUSSCGKSA-N 3 2 313.446 -1.146 20 0 DAADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000662696682 409714012 /nfs/dbraw/zinc/71/40/12/409714012.db2.gz QZLYPTHUKPJDGM-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1(O)C[NH2+]C1 ZINC000662696319 409715062 /nfs/dbraw/zinc/71/50/62/409715062.db2.gz WYZXCJHLNSOEBT-LBPRGKRZSA-N 2 2 301.412 -1.355 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc2n(n1)CCCN2 ZINC000662857147 409717455 /nfs/dbraw/zinc/71/74/55/409717455.db2.gz FWZLCBGERXAUOK-UHFFFAOYSA-N 2 2 309.418 -1.036 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc2n(n1)CCCN2 ZINC000662857147 409717460 /nfs/dbraw/zinc/71/74/60/409717460.db2.gz FWZLCBGERXAUOK-UHFFFAOYSA-N 2 2 309.418 -1.036 20 0 DAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(O)C[NH2+]C1 ZINC000662737705 409717710 /nfs/dbraw/zinc/71/77/10/409717710.db2.gz QUKYSRHOCONUDO-LLVKDONJSA-N 2 2 312.370 -2.630 20 0 DAADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(O)C[NH2+]C3)CC2)CC1 ZINC000662722211 409718996 /nfs/dbraw/zinc/71/89/96/409718996.db2.gz KLIPCLSDUVJTPV-UHFFFAOYSA-N 2 2 324.425 -1.277 20 0 DAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(O)C[NH2+]C1 ZINC000662737707 409719442 /nfs/dbraw/zinc/71/94/42/409719442.db2.gz QUKYSRHOCONUDO-NSHDSACASA-N 2 2 312.370 -2.630 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001193774627 782016132 /nfs/dbraw/zinc/01/61/32/782016132.db2.gz RJMDANQGRJWPEB-FRRDWIJNSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001193774627 782016137 /nfs/dbraw/zinc/01/61/37/782016137.db2.gz RJMDANQGRJWPEB-FRRDWIJNSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001193829107 782019581 /nfs/dbraw/zinc/01/95/81/782019581.db2.gz WHJNCDNHDJKAFO-MGPQQGTHSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001193829107 782019585 /nfs/dbraw/zinc/01/95/85/782019585.db2.gz WHJNCDNHDJKAFO-MGPQQGTHSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001193829107 782019586 /nfs/dbraw/zinc/01/95/86/782019586.db2.gz WHJNCDNHDJKAFO-MGPQQGTHSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001193829107 782019573 /nfs/dbraw/zinc/01/95/73/782019573.db2.gz WHJNCDNHDJKAFO-MGPQQGTHSA-N 2 2 324.425 -1.137 20 0 DAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001193953801 782023126 /nfs/dbraw/zinc/02/31/26/782023126.db2.gz OUOPTNPPRLZKRA-BZPMIXESSA-N 2 2 314.430 -1.178 20 0 DAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001193953801 782023122 /nfs/dbraw/zinc/02/31/22/782023122.db2.gz OUOPTNPPRLZKRA-BZPMIXESSA-N 2 2 314.430 -1.178 20 0 DAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CN1CCCC1=O ZINC000678529064 545877490 /nfs/dbraw/zinc/87/74/90/545877490.db2.gz HPBQHNAWUJMKPN-ZDUSSCGKSA-N 2 2 312.414 -1.325 20 0 DAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CN1CCCC1=O ZINC000678529064 545877498 /nfs/dbraw/zinc/87/74/98/545877498.db2.gz HPBQHNAWUJMKPN-ZDUSSCGKSA-N 2 2 312.414 -1.325 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001194118827 782027216 /nfs/dbraw/zinc/02/72/16/782027216.db2.gz JNFYYKVBEWIYOE-HZSPNIEDSA-N 2 2 315.414 -1.359 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001194118827 782027222 /nfs/dbraw/zinc/02/72/22/782027222.db2.gz JNFYYKVBEWIYOE-HZSPNIEDSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194118827 782027226 /nfs/dbraw/zinc/02/72/26/782027226.db2.gz JNFYYKVBEWIYOE-HZSPNIEDSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194118827 782027232 /nfs/dbraw/zinc/02/72/32/782027232.db2.gz JNFYYKVBEWIYOE-HZSPNIEDSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461156 782036771 /nfs/dbraw/zinc/03/67/71/782036771.db2.gz WIFCJWPTDDOQLX-GHMZBOCLSA-N 2 2 322.369 -1.001 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461156 782036779 /nfs/dbraw/zinc/03/67/79/782036779.db2.gz WIFCJWPTDDOQLX-GHMZBOCLSA-N 2 2 322.369 -1.001 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153843 782029248 /nfs/dbraw/zinc/02/92/48/782029248.db2.gz HXIYWSJLERNUIG-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153843 782029254 /nfs/dbraw/zinc/02/92/54/782029254.db2.gz HXIYWSJLERNUIG-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC)C2)C1 ZINC001194153843 782029261 /nfs/dbraw/zinc/02/92/61/782029261.db2.gz HXIYWSJLERNUIG-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC)C2)C1 ZINC001194153843 782029267 /nfs/dbraw/zinc/02/92/67/782029267.db2.gz HXIYWSJLERNUIG-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461157 782037627 /nfs/dbraw/zinc/03/76/27/782037627.db2.gz WIFCJWPTDDOQLX-MNOVXSKESA-N 2 2 322.369 -1.001 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461157 782037634 /nfs/dbraw/zinc/03/76/34/782037634.db2.gz WIFCJWPTDDOQLX-MNOVXSKESA-N 2 2 322.369 -1.001 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000332715227 262520309 /nfs/dbraw/zinc/52/03/09/262520309.db2.gz VUZNSOADRDJPSK-RDBSUJKOSA-N 2 2 324.425 -1.014 20 0 DAADLP [NH3+]CCOCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000357079607 262576040 /nfs/dbraw/zinc/57/60/40/262576040.db2.gz LEMBNCDFMQRJLZ-UHFFFAOYSA-N 2 2 300.403 -1.562 20 0 DAADLP CNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000443447278 262636423 /nfs/dbraw/zinc/63/64/23/262636423.db2.gz RBOWIWCQWQEEKS-PHIMTYICSA-N 3 2 310.450 -1.097 20 0 DAADLP CNc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000443447278 262636425 /nfs/dbraw/zinc/63/64/25/262636425.db2.gz RBOWIWCQWQEEKS-PHIMTYICSA-N 3 2 310.450 -1.097 20 0 DAADLP CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000342456127 263227620 /nfs/dbraw/zinc/22/76/20/263227620.db2.gz RUTHMHCOSUPXNA-GHMZBOCLSA-N 2 2 311.386 -1.321 20 0 DAADLP CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000342456127 263227622 /nfs/dbraw/zinc/22/76/22/263227622.db2.gz RUTHMHCOSUPXNA-GHMZBOCLSA-N 2 2 311.386 -1.321 20 0 DAADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262375624 263230375 /nfs/dbraw/zinc/23/03/75/263230375.db2.gz XCYPLOJUGCKTOV-RYUDHWBXSA-N 2 2 314.386 -1.991 20 0 DAADLP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000419911940 263233033 /nfs/dbraw/zinc/23/30/33/263233033.db2.gz UURVEXMCFRWUQE-LBPRGKRZSA-N 2 2 300.403 -1.061 20 0 DAADLP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000419911940 263233034 /nfs/dbraw/zinc/23/30/34/263233034.db2.gz UURVEXMCFRWUQE-LBPRGKRZSA-N 2 2 300.403 -1.061 20 0 DAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000178803900 263233432 /nfs/dbraw/zinc/23/34/32/263233432.db2.gz AAMTVMMXRSDTPM-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)CCO)C1 ZINC000355507306 263238157 /nfs/dbraw/zinc/23/81/57/263238157.db2.gz NKBCXHYYMWFIPT-AWEZNQCLSA-N 2 2 317.430 -1.254 20 0 DAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)CCO)C1 ZINC000355507306 263238159 /nfs/dbraw/zinc/23/81/59/263238159.db2.gz NKBCXHYYMWFIPT-AWEZNQCLSA-N 2 2 317.430 -1.254 20 0 DAADLP O=C([C@H]1COCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040099 263244694 /nfs/dbraw/zinc/24/46/94/263244694.db2.gz LAQDSHLJOCNHLR-LLVKDONJSA-N 2 2 318.399 -2.579 20 0 DAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000423609691 263247221 /nfs/dbraw/zinc/24/72/21/263247221.db2.gz PUECUTKASHTPAL-LBPRGKRZSA-N 2 2 320.397 -1.126 20 0 DAADLP C[NH+](C)[C@]1(CNC(=O)CN2CC[NH2+]CC2=O)CCSC1 ZINC000430688422 263252151 /nfs/dbraw/zinc/25/21/51/263252151.db2.gz XKWYQCQSUQAKEP-ZDUSSCGKSA-N 2 2 300.428 -1.028 20 0 DAADLP O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000342738990 263253026 /nfs/dbraw/zinc/25/30/26/263253026.db2.gz OVWFNOCEGWBUSG-KBPBESRZSA-N 2 2 324.425 -1.107 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000520818497 263261858 /nfs/dbraw/zinc/26/18/58/263261858.db2.gz PNYSSOASOYCBIB-YPMHNXCESA-N 2 2 300.403 -1.077 20 0 DAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000424494621 263262157 /nfs/dbraw/zinc/26/21/57/263262157.db2.gz NXNWNQOCUYRLOV-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000420120270 263263069 /nfs/dbraw/zinc/26/30/69/263263069.db2.gz OIAFWDDYEKVZNF-FRRDWIJNSA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000420120270 263263071 /nfs/dbraw/zinc/26/30/71/263263071.db2.gz OIAFWDDYEKVZNF-FRRDWIJNSA-N 2 2 312.414 -1.063 20 0 DAADLP C[NH+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000106926632 263264186 /nfs/dbraw/zinc/26/41/86/263264186.db2.gz VZZGQZKPWNAZEO-ZDUSSCGKSA-N 2 2 312.414 -1.155 20 0 DAADLP C[NH+]1CCN(C(=O)CN2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000408089548 263275004 /nfs/dbraw/zinc/27/50/04/263275004.db2.gz OHXJVKZQZVPDGQ-UHFFFAOYSA-N 2 2 311.430 -1.358 20 0 DAADLP C[C@@H]([NH3+])CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000442665961 263283891 /nfs/dbraw/zinc/28/38/91/263283891.db2.gz OVLSVBIMTZOQLQ-GFCCVEGCSA-N 2 2 305.448 -1.557 20 0 DAADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000515487915 263286427 /nfs/dbraw/zinc/28/64/27/263286427.db2.gz LAUCJZGIRSNGOU-UHFFFAOYSA-N 2 2 313.446 -1.240 20 0 DAADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000515487915 263286429 /nfs/dbraw/zinc/28/64/29/263286429.db2.gz LAUCJZGIRSNGOU-UHFFFAOYSA-N 2 2 313.446 -1.240 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000459897018 263287248 /nfs/dbraw/zinc/28/72/48/263287248.db2.gz NFUVMHDEQCRUCG-BETUJISGSA-N 2 2 314.430 -1.080 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000459897018 263287249 /nfs/dbraw/zinc/28/72/49/263287249.db2.gz NFUVMHDEQCRUCG-BETUJISGSA-N 2 2 314.430 -1.080 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000360279634 263287276 /nfs/dbraw/zinc/28/72/76/263287276.db2.gz PNYZLAOOEFKTCH-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000369815449 263290975 /nfs/dbraw/zinc/29/09/75/263290975.db2.gz ZPKQWPXFEUFVGV-LBPRGKRZSA-N 2 2 323.397 -2.207 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000369815449 263290978 /nfs/dbraw/zinc/29/09/78/263290978.db2.gz ZPKQWPXFEUFVGV-LBPRGKRZSA-N 2 2 323.397 -2.207 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332727902 263292201 /nfs/dbraw/zinc/29/22/01/263292201.db2.gz YYSSQZYDIQHQSQ-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000423439618 263295123 /nfs/dbraw/zinc/29/51/23/263295123.db2.gz AGGHWFBJJCZTRN-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000423439618 263295126 /nfs/dbraw/zinc/29/51/26/263295126.db2.gz AGGHWFBJJCZTRN-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361821413 263297103 /nfs/dbraw/zinc/29/71/03/263297103.db2.gz QJFYDMAHRKQWKG-CYBMUJFWSA-N 2 2 323.459 -1.059 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000347702686 263297681 /nfs/dbraw/zinc/29/76/81/263297681.db2.gz UFYLDLSGTMZARB-JTQLQIEISA-N 2 2 311.386 -2.127 20 0 DAADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000419897604 263298334 /nfs/dbraw/zinc/29/83/34/263298334.db2.gz ABTDDVUPHBFJJC-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000351505067 263300995 /nfs/dbraw/zinc/30/09/95/263300995.db2.gz LOENNUDXIHEWJB-KGLIPLIRSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000351505067 263300997 /nfs/dbraw/zinc/30/09/97/263300997.db2.gz LOENNUDXIHEWJB-KGLIPLIRSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000419997025 263301623 /nfs/dbraw/zinc/30/16/23/263301623.db2.gz LHOWNOKCCFYMNM-RYUDHWBXSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000419997025 263301625 /nfs/dbraw/zinc/30/16/25/263301625.db2.gz LHOWNOKCCFYMNM-RYUDHWBXSA-N 2 2 300.403 -1.077 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000333168094 263303504 /nfs/dbraw/zinc/30/35/04/263303504.db2.gz PEHFVUKKUATMIU-CQSZACIVSA-N 2 2 309.370 -1.566 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000333168094 263303505 /nfs/dbraw/zinc/30/35/05/263303505.db2.gz PEHFVUKKUATMIU-CQSZACIVSA-N 2 2 309.370 -1.566 20 0 DAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000431013441 263306624 /nfs/dbraw/zinc/30/66/24/263306624.db2.gz FMPQQAWKCLWSIJ-CHWSQXEVSA-N 2 2 310.398 -1.403 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C[C@H](C)O1 ZINC000514931984 263311510 /nfs/dbraw/zinc/31/15/10/263311510.db2.gz MGGUVTOOKKRIIY-TUAOUCFPSA-N 2 2 309.432 -1.405 20 0 DAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C[C@H](C)O1 ZINC000514931984 263311512 /nfs/dbraw/zinc/31/15/12/263311512.db2.gz MGGUVTOOKKRIIY-TUAOUCFPSA-N 2 2 309.432 -1.405 20 0 DAADLP NC(=O)NC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343602307 263314468 /nfs/dbraw/zinc/31/44/68/263314468.db2.gz RCSHDCKLDDMESL-UHFFFAOYSA-N 2 2 311.386 -1.189 20 0 DAADLP COCC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331146372 263317297 /nfs/dbraw/zinc/31/72/97/263317297.db2.gz AJUZNBYKBKLFKI-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H](C)C1 ZINC000423544455 263317720 /nfs/dbraw/zinc/31/77/20/263317720.db2.gz WPHZXXFUTPSOEC-NSHDSACASA-N 2 2 314.386 -1.501 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H](C)C1 ZINC000423544455 263317722 /nfs/dbraw/zinc/31/77/22/263317722.db2.gz WPHZXXFUTPSOEC-NSHDSACASA-N 2 2 314.386 -1.501 20 0 DAADLP C[NH+](C)CC(=O)N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000180431235 263318595 /nfs/dbraw/zinc/31/85/95/263318595.db2.gz RKIDGRFMUSROGW-UHFFFAOYSA-N 2 2 311.430 -1.534 20 0 DAADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353204718 263320727 /nfs/dbraw/zinc/32/07/27/263320727.db2.gz NLXXALMEMGXGKI-NXEZZACHSA-N 2 2 300.359 -1.715 20 0 DAADLP CN(CCCNC(=O)C[NH+]1CCC([NH3+])CC1)S(C)(=O)=O ZINC000429677678 263322237 /nfs/dbraw/zinc/32/22/37/263322237.db2.gz CPQKSNUTWPLXTQ-UHFFFAOYSA-N 2 2 306.432 -1.193 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194719610 782043583 /nfs/dbraw/zinc/04/35/83/782043583.db2.gz APBFLAXBSAFUMY-JHJVBQTASA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194719610 782043594 /nfs/dbraw/zinc/04/35/94/782043594.db2.gz APBFLAXBSAFUMY-JHJVBQTASA-N 2 2 312.370 -1.640 20 0 DAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000339681650 278645641 /nfs/dbraw/zinc/64/56/41/278645641.db2.gz NKUKXBRTRVCTCX-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404776 782067643 /nfs/dbraw/zinc/06/76/43/782067643.db2.gz SERHLWZCASQZTP-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404776 782067652 /nfs/dbraw/zinc/06/76/52/782067652.db2.gz SERHLWZCASQZTP-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001195404776 782067667 /nfs/dbraw/zinc/06/76/67/782067667.db2.gz SERHLWZCASQZTP-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404776 782067673 /nfs/dbraw/zinc/06/76/73/782067673.db2.gz SERHLWZCASQZTP-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195691839 782074571 /nfs/dbraw/zinc/07/45/71/782074571.db2.gz QSQLMGMJUJDFNX-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195691839 782074580 /nfs/dbraw/zinc/07/45/80/782074580.db2.gz QSQLMGMJUJDFNX-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676651 782074733 /nfs/dbraw/zinc/07/47/33/782074733.db2.gz HNZUVAPFLVENIP-IJLUTSLNSA-N 2 2 312.414 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676651 782074741 /nfs/dbraw/zinc/07/47/41/782074741.db2.gz HNZUVAPFLVENIP-IJLUTSLNSA-N 2 2 312.414 -1.247 20 0 DAADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850779 782082658 /nfs/dbraw/zinc/08/26/58/782082658.db2.gz OSWMHGGDAIEWHO-VXGBXAGGSA-N 2 2 300.403 -1.376 20 0 DAADLP CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850779 782082668 /nfs/dbraw/zinc/08/26/68/782082668.db2.gz OSWMHGGDAIEWHO-VXGBXAGGSA-N 2 2 300.403 -1.376 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001195701437 782077271 /nfs/dbraw/zinc/07/72/71/782077271.db2.gz NAVPJQWVZNQNKI-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001195701437 782077280 /nfs/dbraw/zinc/07/72/80/782077280.db2.gz NAVPJQWVZNQNKI-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709125 782077451 /nfs/dbraw/zinc/07/74/51/782077451.db2.gz XELSSFPVUNBDPP-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709125 782077456 /nfs/dbraw/zinc/07/74/56/782077456.db2.gz XELSSFPVUNBDPP-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859967 782084817 /nfs/dbraw/zinc/08/48/17/782084817.db2.gz PYFPTGJRRXEEJC-IJLUTSLNSA-N 2 2 300.403 -1.424 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859967 782084823 /nfs/dbraw/zinc/08/48/23/782084823.db2.gz PYFPTGJRRXEEJC-IJLUTSLNSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859110 782084963 /nfs/dbraw/zinc/08/49/63/782084963.db2.gz FIVMRNQNZWFQSD-CHWSQXEVSA-N 2 2 314.430 -1.034 20 0 DAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859110 782084954 /nfs/dbraw/zinc/08/49/54/782084954.db2.gz FIVMRNQNZWFQSD-CHWSQXEVSA-N 2 2 314.430 -1.034 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871569 782086798 /nfs/dbraw/zinc/08/67/98/782086798.db2.gz PSYNYZOECDLGGC-CYZMBNFOSA-N 2 2 312.414 -1.234 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871569 782086811 /nfs/dbraw/zinc/08/68/11/782086811.db2.gz PSYNYZOECDLGGC-CYZMBNFOSA-N 2 2 312.414 -1.234 20 0 DAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001196169270 782094939 /nfs/dbraw/zinc/09/49/39/782094939.db2.gz PXKKZWCRKWIZEB-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001196169270 782094951 /nfs/dbraw/zinc/09/49/51/782094951.db2.gz PXKKZWCRKWIZEB-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196169270 782094962 /nfs/dbraw/zinc/09/49/62/782094962.db2.gz PXKKZWCRKWIZEB-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196169270 782094971 /nfs/dbraw/zinc/09/49/71/782094971.db2.gz PXKKZWCRKWIZEB-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@@H](C[NH3+])C1 ZINC000564987756 332379833 /nfs/dbraw/zinc/37/98/33/332379833.db2.gz KDIWNGJSGJATDA-NSHDSACASA-N 2 2 304.416 -1.487 20 0 DAADLP C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@@H](C[NH3+])C1 ZINC000564987756 332379834 /nfs/dbraw/zinc/37/98/34/332379834.db2.gz KDIWNGJSGJATDA-NSHDSACASA-N 2 2 304.416 -1.487 20 0 DAADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062813 333195834 /nfs/dbraw/zinc/19/58/34/333195834.db2.gz BFUIUOASYHHGOJ-BDAKNGLRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062813 333195836 /nfs/dbraw/zinc/19/58/36/333195836.db2.gz BFUIUOASYHHGOJ-BDAKNGLRSA-N 2 2 309.370 -1.482 20 0 DAADLP Cn1[nH]c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1=O ZINC000563153306 333398105 /nfs/dbraw/zinc/39/81/05/333398105.db2.gz PGDRBUWEQFJZMO-NSHDSACASA-N 2 2 308.386 -1.248 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000535024297 334356599 /nfs/dbraw/zinc/35/65/99/334356599.db2.gz AYOCITQCIHVGBG-NEPJUHHUSA-N 2 2 308.382 -1.018 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000535024297 334356601 /nfs/dbraw/zinc/35/66/01/334356601.db2.gz AYOCITQCIHVGBG-NEPJUHHUSA-N 2 2 308.382 -1.018 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001196207586 782097265 /nfs/dbraw/zinc/09/72/65/782097265.db2.gz RCTHWDSIFCEBNQ-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001196207586 782097274 /nfs/dbraw/zinc/09/72/74/782097274.db2.gz RCTHWDSIFCEBNQ-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000582779612 337156495 /nfs/dbraw/zinc/15/64/95/337156495.db2.gz FBTSSPRDSMQJSY-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC000582779612 337156496 /nfs/dbraw/zinc/15/64/96/337156496.db2.gz FBTSSPRDSMQJSY-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419432311 337484372 /nfs/dbraw/zinc/48/43/72/337484372.db2.gz YGYAGAHQXJYHGR-JHJVBQTASA-N 2 2 312.414 -1.063 20 0 DAADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000572038315 337587668 /nfs/dbraw/zinc/58/76/68/337587668.db2.gz XSUQFWXSVDHFLJ-AWEZNQCLSA-N 2 2 311.386 -1.188 20 0 DAADLP Cc1nc(N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc[nH+]1 ZINC000580443384 337676182 /nfs/dbraw/zinc/67/61/82/337676182.db2.gz SKRGAXNOKNLABU-UHFFFAOYSA-N 2 2 318.381 -1.135 20 0 DAADLP C[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000577003195 341875111 /nfs/dbraw/zinc/87/51/11/341875111.db2.gz NXBCOTPOQXRLTG-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196939874 782118280 /nfs/dbraw/zinc/11/82/80/782118280.db2.gz MEJXZWMGIRUFJP-ZIAGYGMSSA-N 2 2 315.414 -1.358 20 0 DAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196939874 782118284 /nfs/dbraw/zinc/11/82/84/782118284.db2.gz MEJXZWMGIRUFJP-ZIAGYGMSSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001197058723 782122051 /nfs/dbraw/zinc/12/20/51/782122051.db2.gz YAJDGWHXBVCZHQ-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536027 782134459 /nfs/dbraw/zinc/13/44/59/782134459.db2.gz HQXXHCQUIONIIX-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536027 782134463 /nfs/dbraw/zinc/13/44/63/782134463.db2.gz HQXXHCQUIONIIX-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536027 782134446 /nfs/dbraw/zinc/13/44/46/782134446.db2.gz HQXXHCQUIONIIX-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536027 782134452 /nfs/dbraw/zinc/13/44/52/782134452.db2.gz HQXXHCQUIONIIX-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197536679 782134834 /nfs/dbraw/zinc/13/48/34/782134834.db2.gz ZSMCNGHIRKQYMK-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197536679 782134843 /nfs/dbraw/zinc/13/48/43/782134843.db2.gz ZSMCNGHIRKQYMK-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197536679 782134850 /nfs/dbraw/zinc/13/48/50/782134850.db2.gz ZSMCNGHIRKQYMK-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197536679 782134855 /nfs/dbraw/zinc/13/48/55/782134855.db2.gz ZSMCNGHIRKQYMK-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197774975 782141027 /nfs/dbraw/zinc/14/10/27/782141027.db2.gz CAYLJDGHQPXLJX-JHJVBQTASA-N 2 2 312.370 -1.869 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197774975 782141035 /nfs/dbraw/zinc/14/10/35/782141035.db2.gz CAYLJDGHQPXLJX-JHJVBQTASA-N 2 2 312.370 -1.869 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098550 782148655 /nfs/dbraw/zinc/14/86/55/782148655.db2.gz ZSPDRJAOVRNZKK-NSHDSACASA-N 2 2 311.386 -1.333 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098550 782148662 /nfs/dbraw/zinc/14/86/62/782148662.db2.gz ZSPDRJAOVRNZKK-NSHDSACASA-N 2 2 311.386 -1.333 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098550 782148666 /nfs/dbraw/zinc/14/86/66/782148666.db2.gz ZSPDRJAOVRNZKK-NSHDSACASA-N 2 2 311.386 -1.333 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098550 782148672 /nfs/dbraw/zinc/14/86/72/782148672.db2.gz ZSPDRJAOVRNZKK-NSHDSACASA-N 2 2 311.386 -1.333 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198134682 782148917 /nfs/dbraw/zinc/14/89/17/782148917.db2.gz YYHSIECEFUSVIQ-RAIGVLPGSA-N 2 2 312.370 -1.571 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198134682 782148925 /nfs/dbraw/zinc/14/89/25/782148925.db2.gz YYHSIECEFUSVIQ-RAIGVLPGSA-N 2 2 312.370 -1.571 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cc[nH+]cc2)[C@H]2NCN[C@H]21 ZINC001198561434 782158146 /nfs/dbraw/zinc/15/81/46/782158146.db2.gz OFJQWXRPCQBOEQ-YNEHKIRRSA-N 2 2 314.353 -1.600 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198671098 782160044 /nfs/dbraw/zinc/16/00/44/782160044.db2.gz BYEMEPWGVGQALA-CHWSQXEVSA-N 2 2 312.370 -1.638 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198671098 782160056 /nfs/dbraw/zinc/16/00/56/782160056.db2.gz BYEMEPWGVGQALA-CHWSQXEVSA-N 2 2 312.370 -1.638 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001198673283 782161761 /nfs/dbraw/zinc/16/17/61/782161761.db2.gz ZEXZCIBCFNYHSV-ZIAGYGMSSA-N 2 2 324.425 -1.230 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001198673283 782161766 /nfs/dbraw/zinc/16/17/66/782161766.db2.gz ZEXZCIBCFNYHSV-ZIAGYGMSSA-N 2 2 324.425 -1.230 20 0 DAADLP CNS(=O)(=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000339497942 522173933 /nfs/dbraw/zinc/17/39/33/522173933.db2.gz LRVVQOFNSXOENK-UHFFFAOYSA-N 2 2 318.443 -1.226 20 0 DAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000339266702 523979158 /nfs/dbraw/zinc/97/91/58/523979158.db2.gz YPUALAPVUFDRBP-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000339266702 523979160 /nfs/dbraw/zinc/97/91/60/523979160.db2.gz YPUALAPVUFDRBP-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP CN1CCN(c2cc(N3CC[NH+](CCO)CC3)nc[nH+]2)CC1=O ZINC000274404003 536419834 /nfs/dbraw/zinc/41/98/34/536419834.db2.gz YLFKTNXLTJXBAN-UHFFFAOYSA-N 2 2 320.397 -1.131 20 0 DAADLP CC1(C)NC(=O)N(CCC[N@@H+](CC[NH3+])C[C@@H](O)CO)C1=O ZINC000662289902 545641220 /nfs/dbraw/zinc/64/12/20/545641220.db2.gz YQMVOVBPCPQSJT-SNVBAGLBSA-N 2 2 302.375 -1.679 20 0 DAADLP CC1(C)NC(=O)N(CCC[N@H+](CC[NH3+])C[C@@H](O)CO)C1=O ZINC000662289902 545641215 /nfs/dbraw/zinc/64/12/15/545641215.db2.gz YQMVOVBPCPQSJT-SNVBAGLBSA-N 2 2 302.375 -1.679 20 0 DAADLP C[C@@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000670639829 545654909 /nfs/dbraw/zinc/65/49/09/545654909.db2.gz LXLPQQZHVIZVSF-NEPJUHHUSA-N 2 2 309.370 -1.165 20 0 DAADLP C[C@@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670639829 545654914 /nfs/dbraw/zinc/65/49/14/545654914.db2.gz LXLPQQZHVIZVSF-NEPJUHHUSA-N 2 2 309.370 -1.165 20 0 DAADLP CNS(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000644628867 545676501 /nfs/dbraw/zinc/67/65/01/545676501.db2.gz WQOMTJFVXGCNKM-SRVKXCTJSA-N 2 2 309.432 -1.405 20 0 DAADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2CCOCC2=O)CC1 ZINC000344396435 545713398 /nfs/dbraw/zinc/71/33/98/545713398.db2.gz JQLHCDZWEPHELK-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362835791 545746391 /nfs/dbraw/zinc/74/63/91/545746391.db2.gz AWICXVNZHSRKTA-NSHDSACASA-N 2 2 304.416 -1.568 20 0 DAADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362835791 545746396 /nfs/dbraw/zinc/74/63/96/545746396.db2.gz AWICXVNZHSRKTA-NSHDSACASA-N 2 2 304.416 -1.568 20 0 DAADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827949 545747313 /nfs/dbraw/zinc/74/73/13/545747313.db2.gz BOHFRHOAGQLYFI-GFCCVEGCSA-N 2 2 318.443 -1.178 20 0 DAADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827949 545747319 /nfs/dbraw/zinc/74/73/19/545747319.db2.gz BOHFRHOAGQLYFI-GFCCVEGCSA-N 2 2 318.443 -1.178 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000659755231 545763554 /nfs/dbraw/zinc/76/35/54/545763554.db2.gz KCCZSHMCFADDKC-GFCCVEGCSA-N 2 2 322.413 -1.212 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423632632 545772863 /nfs/dbraw/zinc/77/28/63/545772863.db2.gz OJSHWHYPUDLLRM-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423624788 545773121 /nfs/dbraw/zinc/77/31/21/545773121.db2.gz DPFRINLIJWGIEW-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647029 545777089 /nfs/dbraw/zinc/77/70/89/545777089.db2.gz PUJAFRKTGFZNCA-LLVKDONJSA-N 2 2 313.402 -1.027 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647029 545777102 /nfs/dbraw/zinc/77/71/02/545777102.db2.gz PUJAFRKTGFZNCA-LLVKDONJSA-N 2 2 313.402 -1.027 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321222 545802120 /nfs/dbraw/zinc/80/21/20/545802120.db2.gz OULAEFQWSKBTNB-STQMWFEESA-N 2 2 310.398 -1.524 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321219 545802491 /nfs/dbraw/zinc/80/24/91/545802491.db2.gz OULAEFQWSKBTNB-CHWSQXEVSA-N 2 2 310.398 -1.524 20 0 DAADLP C[NH+](C)CCN1CC[N@H+](CCCN2C(=O)CNC2=O)CC1=O ZINC000649687690 545806271 /nfs/dbraw/zinc/80/62/71/545806271.db2.gz AQLHDTHPJBKQLA-UHFFFAOYSA-N 2 2 311.386 -1.366 20 0 DAADLP C[NH+](C)CCN1CC[N@@H+](CCCN2C(=O)CNC2=O)CC1=O ZINC000649687690 545806274 /nfs/dbraw/zinc/80/62/74/545806274.db2.gz AQLHDTHPJBKQLA-UHFFFAOYSA-N 2 2 311.386 -1.366 20 0 DAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656088473 545814887 /nfs/dbraw/zinc/81/48/87/545814887.db2.gz LFAGOCVPGMDQNH-UONOGXRCSA-N 2 2 324.425 -1.184 20 0 DAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656088473 545814893 /nfs/dbraw/zinc/81/48/93/545814893.db2.gz LFAGOCVPGMDQNH-UONOGXRCSA-N 2 2 324.425 -1.184 20 0 DAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297636 545820356 /nfs/dbraw/zinc/82/03/56/545820356.db2.gz GVAZAJLQEKPKFU-FRRDWIJNSA-N 2 2 321.381 -1.335 20 0 DAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297636 545820362 /nfs/dbraw/zinc/82/03/62/545820362.db2.gz GVAZAJLQEKPKFU-FRRDWIJNSA-N 2 2 321.381 -1.335 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000662907719 545839743 /nfs/dbraw/zinc/83/97/43/545839743.db2.gz VZSGRANPXDBJOE-STQMWFEESA-N 2 2 309.414 -1.639 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000662907719 545839749 /nfs/dbraw/zinc/83/97/49/545839749.db2.gz VZSGRANPXDBJOE-STQMWFEESA-N 2 2 309.414 -1.639 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000662907716 545840127 /nfs/dbraw/zinc/84/01/27/545840127.db2.gz VZSGRANPXDBJOE-CHWSQXEVSA-N 2 2 309.414 -1.639 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000662907716 545840132 /nfs/dbraw/zinc/84/01/32/545840132.db2.gz VZSGRANPXDBJOE-CHWSQXEVSA-N 2 2 309.414 -1.639 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662940356 545842071 /nfs/dbraw/zinc/84/20/71/545842071.db2.gz MJBWDAFRDRIPMA-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929013 545842511 /nfs/dbraw/zinc/84/25/11/545842511.db2.gz WZABPJNSAJIILV-UHFFFAOYSA-N 2 2 310.398 -1.273 20 0 DAADLP C[C@@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[NH2+]CCO1 ZINC000638110760 545849005 /nfs/dbraw/zinc/84/90/05/545849005.db2.gz PMVWEIIWFNCWHE-HNNXBMFYSA-N 2 2 323.397 -0.468 20 0 DAADLP CN(CCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640710 545864292 /nfs/dbraw/zinc/86/42/92/545864292.db2.gz GXEKLVPDOOVUHC-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(CCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640710 545864295 /nfs/dbraw/zinc/86/42/95/545864295.db2.gz GXEKLVPDOOVUHC-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001199104774 782170227 /nfs/dbraw/zinc/17/02/27/782170227.db2.gz SFFMTLIJFPKEBG-FRRDWIJNSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001199104774 782170207 /nfs/dbraw/zinc/17/02/07/782170207.db2.gz SFFMTLIJFPKEBG-FRRDWIJNSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001199104774 782170214 /nfs/dbraw/zinc/17/02/14/782170214.db2.gz SFFMTLIJFPKEBG-FRRDWIJNSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001199104774 782170221 /nfs/dbraw/zinc/17/02/21/782170221.db2.gz SFFMTLIJFPKEBG-FRRDWIJNSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111670 782171735 /nfs/dbraw/zinc/17/17/35/782171735.db2.gz GRDIQOJTGWANTP-JHJVBQTASA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111670 782171739 /nfs/dbraw/zinc/17/17/39/782171739.db2.gz GRDIQOJTGWANTP-JHJVBQTASA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111670 782171742 /nfs/dbraw/zinc/17/17/42/782171742.db2.gz GRDIQOJTGWANTP-JHJVBQTASA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111670 782171746 /nfs/dbraw/zinc/17/17/46/782171746.db2.gz GRDIQOJTGWANTP-JHJVBQTASA-N 2 2 312.414 -1.281 20 0 DAADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1)[NH+](C)C ZINC000970079904 662340646 /nfs/dbraw/zinc/34/06/46/662340646.db2.gz UHIFTOIJFQHKJE-UTUOFQBUSA-N 2 2 323.397 -1.020 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001021079525 662353568 /nfs/dbraw/zinc/35/35/68/662353568.db2.gz ACHFLJLETSUYEL-IJLUTSLNSA-N 2 2 323.401 -1.332 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001021079525 662353569 /nfs/dbraw/zinc/35/35/69/662353569.db2.gz ACHFLJLETSUYEL-IJLUTSLNSA-N 2 2 323.401 -1.332 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001021128692 662355545 /nfs/dbraw/zinc/35/55/45/662355545.db2.gz PBANPKXOLPZPFI-XYPYZODXSA-N 2 2 320.353 -1.328 20 0 DAADLP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970271049 662356219 /nfs/dbraw/zinc/35/62/19/662356219.db2.gz WZGRNJZJGAPYQY-GFCCVEGCSA-N 2 2 323.401 -1.377 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000970763175 662369572 /nfs/dbraw/zinc/36/95/72/662369572.db2.gz QOMKCDWPZDISNC-NEPJUHHUSA-N 2 2 323.401 -1.379 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000970763175 662369576 /nfs/dbraw/zinc/36/95/76/662369576.db2.gz QOMKCDWPZDISNC-NEPJUHHUSA-N 2 2 323.401 -1.379 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970951545 662375920 /nfs/dbraw/zinc/37/59/20/662375920.db2.gz USXOGBHTJWRORF-UPJWGTAASA-N 2 2 321.381 -1.266 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970951545 662375923 /nfs/dbraw/zinc/37/59/23/662375923.db2.gz USXOGBHTJWRORF-UPJWGTAASA-N 2 2 321.381 -1.266 20 0 DAADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001021928114 662382824 /nfs/dbraw/zinc/38/28/24/662382824.db2.gz MQGSBZQLJQFTIU-NTZNESFSSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001021928114 662382826 /nfs/dbraw/zinc/38/28/26/662382826.db2.gz MQGSBZQLJQFTIU-NTZNESFSSA-N 2 2 308.386 -1.118 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001021927954 662382879 /nfs/dbraw/zinc/38/28/79/662382879.db2.gz KATMWYAJUIOIHP-WYUUTHIRSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001021927954 662382880 /nfs/dbraw/zinc/38/28/80/662382880.db2.gz KATMWYAJUIOIHP-WYUUTHIRSA-N 2 2 323.401 -1.162 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001021926845 662383244 /nfs/dbraw/zinc/38/32/44/662383244.db2.gz WQWCUENYUNDREH-AXFHLTTASA-N 2 2 324.385 -1.824 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001021926845 662383246 /nfs/dbraw/zinc/38/32/46/662383246.db2.gz WQWCUENYUNDREH-AXFHLTTASA-N 2 2 324.385 -1.824 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971679806 662388726 /nfs/dbraw/zinc/38/87/26/662388726.db2.gz VJCZLZRDQADRED-QWHCGFSZSA-N 2 2 322.413 -1.169 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971679806 662388727 /nfs/dbraw/zinc/38/87/27/662388727.db2.gz VJCZLZRDQADRED-QWHCGFSZSA-N 2 2 322.413 -1.169 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304454 662508998 /nfs/dbraw/zinc/50/89/98/662508998.db2.gz VMIUFIUYEWDFHS-QJPTWQEYSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304454 662509001 /nfs/dbraw/zinc/50/90/01/662509001.db2.gz VMIUFIUYEWDFHS-QJPTWQEYSA-N 2 2 321.381 -1.408 20 0 DAADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001025301117 662509444 /nfs/dbraw/zinc/50/94/44/662509444.db2.gz UHIFTOIJFQHKJE-IJLUTSLNSA-N 2 2 323.397 -1.020 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719416 662527752 /nfs/dbraw/zinc/52/77/52/662527752.db2.gz UZLFHOUAYTZGGD-LBELIVKGSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719416 662527755 /nfs/dbraw/zinc/52/77/55/662527755.db2.gz UZLFHOUAYTZGGD-LBELIVKGSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719416 662527758 /nfs/dbraw/zinc/52/77/58/662527758.db2.gz UZLFHOUAYTZGGD-LBELIVKGSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719416 662527761 /nfs/dbraw/zinc/52/77/61/662527761.db2.gz UZLFHOUAYTZGGD-LBELIVKGSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719415 662527971 /nfs/dbraw/zinc/52/79/71/662527971.db2.gz UZLFHOUAYTZGGD-KIJLLGNVSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719415 662527972 /nfs/dbraw/zinc/52/79/72/662527972.db2.gz UZLFHOUAYTZGGD-KIJLLGNVSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719415 662527973 /nfs/dbraw/zinc/52/79/73/662527973.db2.gz UZLFHOUAYTZGGD-KIJLLGNVSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719415 662527974 /nfs/dbraw/zinc/52/79/74/662527974.db2.gz UZLFHOUAYTZGGD-KIJLLGNVSA-N 2 2 310.398 -1.502 20 0 DAADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC001025801448 662532463 /nfs/dbraw/zinc/53/24/63/662532463.db2.gz SMAVCLKVRXIVAO-FRRDWIJNSA-N 2 2 323.397 -1.020 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804385 662532659 /nfs/dbraw/zinc/53/26/59/662532659.db2.gz BYDDXPGMWYJGPK-CYZMBNFOSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804385 662532662 /nfs/dbraw/zinc/53/26/62/662532662.db2.gz BYDDXPGMWYJGPK-CYZMBNFOSA-N 2 2 321.381 -1.408 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818485 662534313 /nfs/dbraw/zinc/53/43/13/662534313.db2.gz WEIYVQFIDMCDIH-HKLHZYFVSA-N 2 2 310.398 -1.374 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818485 662534315 /nfs/dbraw/zinc/53/43/15/662534315.db2.gz WEIYVQFIDMCDIH-HKLHZYFVSA-N 2 2 310.398 -1.374 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001025818485 662534316 /nfs/dbraw/zinc/53/43/16/662534316.db2.gz WEIYVQFIDMCDIH-HKLHZYFVSA-N 2 2 310.398 -1.374 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001025818485 662534318 /nfs/dbraw/zinc/53/43/18/662534318.db2.gz WEIYVQFIDMCDIH-HKLHZYFVSA-N 2 2 310.398 -1.374 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001019771588 662535664 /nfs/dbraw/zinc/53/56/64/662535664.db2.gz SZUQUZPVNJPWQA-QWRGUYRKSA-N 2 2 308.386 -1.249 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001019771587 662536048 /nfs/dbraw/zinc/53/60/48/662536048.db2.gz SZUQUZPVNJPWQA-MNOVXSKESA-N 2 2 308.386 -1.249 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805119 662624940 /nfs/dbraw/zinc/62/49/40/662624940.db2.gz NOIQIXOCNBSMNB-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805119 662624941 /nfs/dbraw/zinc/62/49/41/662624941.db2.gz NOIQIXOCNBSMNB-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805119 662624944 /nfs/dbraw/zinc/62/49/44/662624944.db2.gz NOIQIXOCNBSMNB-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805119 662624946 /nfs/dbraw/zinc/62/49/46/662624946.db2.gz NOIQIXOCNBSMNB-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805122 662625013 /nfs/dbraw/zinc/62/50/13/662625013.db2.gz NOIQIXOCNBSMNB-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805122 662625016 /nfs/dbraw/zinc/62/50/16/662625016.db2.gz NOIQIXOCNBSMNB-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805122 662625019 /nfs/dbraw/zinc/62/50/19/662625019.db2.gz NOIQIXOCNBSMNB-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805122 662625022 /nfs/dbraw/zinc/62/50/22/662625022.db2.gz NOIQIXOCNBSMNB-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686585 662646125 /nfs/dbraw/zinc/64/61/25/662646125.db2.gz UKBDBCZQGYUKHP-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686585 662646127 /nfs/dbraw/zinc/64/61/27/662646127.db2.gz UKBDBCZQGYUKHP-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686585 662646128 /nfs/dbraw/zinc/64/61/28/662646128.db2.gz UKBDBCZQGYUKHP-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686585 662646131 /nfs/dbraw/zinc/64/61/31/662646131.db2.gz UKBDBCZQGYUKHP-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995240 662695193 /nfs/dbraw/zinc/69/51/93/662695193.db2.gz JWZUHDAREAHEDI-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995240 662695195 /nfs/dbraw/zinc/69/51/95/662695195.db2.gz JWZUHDAREAHEDI-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NC)C2)C1 ZINC001028995240 662695199 /nfs/dbraw/zinc/69/51/99/662695199.db2.gz JWZUHDAREAHEDI-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995240 662695201 /nfs/dbraw/zinc/69/52/01/662695201.db2.gz JWZUHDAREAHEDI-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000897716737 662745013 /nfs/dbraw/zinc/74/50/13/662745013.db2.gz KFSNCGWXDDPYKN-QWHCGFSZSA-N 2 2 311.430 -1.441 20 0 DAADLP C[NH+](C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC000990620801 662768038 /nfs/dbraw/zinc/76/80/38/662768038.db2.gz BQVZQUVHOJQRDA-KBPBESRZSA-N 2 2 324.425 -1.016 20 0 DAADLP C[NH+](C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC000990620801 662768040 /nfs/dbraw/zinc/76/80/40/662768040.db2.gz BQVZQUVHOJQRDA-KBPBESRZSA-N 2 2 324.425 -1.016 20 0 DAADLP C[NH+](C)[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC000990620806 662768249 /nfs/dbraw/zinc/76/82/49/662768249.db2.gz BQVZQUVHOJQRDA-KGLIPLIRSA-N 2 2 324.425 -1.016 20 0 DAADLP C[NH+](C)[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC000990620806 662768251 /nfs/dbraw/zinc/76/82/51/662768251.db2.gz BQVZQUVHOJQRDA-KGLIPLIRSA-N 2 2 324.425 -1.016 20 0 DAADLP CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC000990618875 662768279 /nfs/dbraw/zinc/76/82/79/662768279.db2.gz UUXUVDORWXDJCR-STQMWFEESA-N 2 2 312.414 -1.016 20 0 DAADLP CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC000990618875 662768280 /nfs/dbraw/zinc/76/82/80/662768280.db2.gz UUXUVDORWXDJCR-STQMWFEESA-N 2 2 312.414 -1.016 20 0 DAADLP CC[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC000990618866 662768289 /nfs/dbraw/zinc/76/82/89/662768289.db2.gz UUXUVDORWXDJCR-CHWSQXEVSA-N 2 2 312.414 -1.016 20 0 DAADLP CC[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC000990618866 662768290 /nfs/dbraw/zinc/76/82/90/662768290.db2.gz UUXUVDORWXDJCR-CHWSQXEVSA-N 2 2 312.414 -1.016 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990630250 662769486 /nfs/dbraw/zinc/76/94/86/662769486.db2.gz LZKBUABYRDNURH-ZDUSSCGKSA-N 2 2 321.381 -1.151 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990630250 662769489 /nfs/dbraw/zinc/76/94/89/662769489.db2.gz LZKBUABYRDNURH-ZDUSSCGKSA-N 2 2 321.381 -1.151 20 0 DAADLP C[NH+]1CCN(C(=O)CCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000900687253 662779285 /nfs/dbraw/zinc/77/92/85/662779285.db2.gz SSDYLGXUHKVYCP-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP [NH3+]CCCOCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905362835 662795244 /nfs/dbraw/zinc/79/52/44/662795244.db2.gz VXAIJNPPBMJOSO-UHFFFAOYSA-N 2 2 309.432 -1.007 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000905012144 662793279 /nfs/dbraw/zinc/79/32/79/662793279.db2.gz ZEWRKOJORMYBGR-HEHGZKQESA-N 2 2 324.425 -1.149 20 0 DAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986631 663135351 /nfs/dbraw/zinc/13/53/51/663135351.db2.gz KTHBCAKIGXURCT-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986630 663135528 /nfs/dbraw/zinc/13/55/28/663135528.db2.gz KTHBCAKIGXURCT-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000911228494 663140450 /nfs/dbraw/zinc/14/04/50/663140450.db2.gz GMXAEXQUGDFNGN-NWDGAFQWSA-N 2 2 309.370 -1.165 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911379216 663143226 /nfs/dbraw/zinc/14/32/26/663143226.db2.gz AILAHVGVTUWWON-OLZOCXBDSA-N 2 2 312.414 -1.251 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911528758 663147660 /nfs/dbraw/zinc/14/76/60/663147660.db2.gz RCRNMEHYGDDGSW-LBPRGKRZSA-N 2 2 312.414 -1.109 20 0 DAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000911506873 663148111 /nfs/dbraw/zinc/14/81/11/663148111.db2.gz SVFCIQMNIMVGCH-GFCCVEGCSA-N 2 2 310.398 -1.083 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)CC1=O ZINC000912743759 663154719 /nfs/dbraw/zinc/15/47/19/663154719.db2.gz FEEQJPCZAZCHQU-STQMWFEESA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1=O ZINC000912743759 663154722 /nfs/dbraw/zinc/15/47/22/663154722.db2.gz FEEQJPCZAZCHQU-STQMWFEESA-N 2 2 312.414 -1.469 20 0 DAADLP O=C(CCCC[NH+]1CCOCC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913184293 663156615 /nfs/dbraw/zinc/15/66/15/663156615.db2.gz CDSJWAHYYLGNQC-OAHLLOKOSA-N 2 2 315.414 -1.044 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001031384904 663289028 /nfs/dbraw/zinc/28/90/28/663289028.db2.gz NXSTWPZJTQFJRZ-NSHDSACASA-N 2 2 323.397 -1.320 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001031384904 663289030 /nfs/dbraw/zinc/28/90/30/663289030.db2.gz NXSTWPZJTQFJRZ-NSHDSACASA-N 2 2 323.397 -1.320 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031584322 663300600 /nfs/dbraw/zinc/30/06/00/663300600.db2.gz BQYFGVIHPNDJJJ-NEPJUHHUSA-N 2 2 308.382 -1.066 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031584322 663300604 /nfs/dbraw/zinc/30/06/04/663300604.db2.gz BQYFGVIHPNDJJJ-NEPJUHHUSA-N 2 2 308.382 -1.066 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001031580928 663300903 /nfs/dbraw/zinc/30/09/03/663300903.db2.gz ZGGJZNSFZUNDCO-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001031580928 663300906 /nfs/dbraw/zinc/30/09/06/663300906.db2.gz ZGGJZNSFZUNDCO-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001031580929 663301188 /nfs/dbraw/zinc/30/11/88/663301188.db2.gz ZGGJZNSFZUNDCO-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001031580929 663301190 /nfs/dbraw/zinc/30/11/90/663301190.db2.gz ZGGJZNSFZUNDCO-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001031597246 663302209 /nfs/dbraw/zinc/30/22/09/663302209.db2.gz XRTYPIYLKVUDFV-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001031597246 663302212 /nfs/dbraw/zinc/30/22/12/663302212.db2.gz XRTYPIYLKVUDFV-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+](C)CCn1ccc(C(=O)NCC2C[NH+](CC(N)=O)C2)n1 ZINC001031677251 663307075 /nfs/dbraw/zinc/30/70/75/663307075.db2.gz DDSGWNFXSRQOSE-UHFFFAOYSA-N 2 2 308.386 -1.408 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)O1 ZINC001031765935 663340924 /nfs/dbraw/zinc/34/09/24/663340924.db2.gz VOCFVXQJTVUDHZ-MRVWCRGKSA-N 2 2 324.425 -1.016 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)O1 ZINC001031765935 663340929 /nfs/dbraw/zinc/34/09/29/663340929.db2.gz VOCFVXQJTVUDHZ-MRVWCRGKSA-N 2 2 324.425 -1.016 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000994917024 663346742 /nfs/dbraw/zinc/34/67/42/663346742.db2.gz YGTPZGNFNCRJQP-ZDUSSCGKSA-N 2 2 321.381 -1.069 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000994917024 663346744 /nfs/dbraw/zinc/34/67/44/663346744.db2.gz YGTPZGNFNCRJQP-ZDUSSCGKSA-N 2 2 321.381 -1.069 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856570 663365396 /nfs/dbraw/zinc/36/53/96/663365396.db2.gz CHMSXRIFVMTKLP-ULKWEWGCSA-N 2 2 322.409 -1.356 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856570 663365398 /nfs/dbraw/zinc/36/53/98/663365398.db2.gz CHMSXRIFVMTKLP-ULKWEWGCSA-N 2 2 322.409 -1.356 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856991 663366120 /nfs/dbraw/zinc/36/61/20/663366120.db2.gz OIPWCHZSNOIBML-WXPRMRQPSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856991 663366122 /nfs/dbraw/zinc/36/61/22/663366122.db2.gz OIPWCHZSNOIBML-WXPRMRQPSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032042500 663428244 /nfs/dbraw/zinc/42/82/44/663428244.db2.gz CDBSGWFYRVSRRO-LLVKDONJSA-N 2 2 322.413 -1.020 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(=O)NC)C2)C1 ZINC001032196804 663450123 /nfs/dbraw/zinc/45/01/23/663450123.db2.gz CADZETCDVLUCKS-DGCLKSJQSA-N 2 2 312.414 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(=O)NC)C2)C1 ZINC001032196804 663450125 /nfs/dbraw/zinc/45/01/25/663450125.db2.gz CADZETCDVLUCKS-DGCLKSJQSA-N 2 2 312.414 -1.110 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC)C2)C1 ZINC001032196802 663450412 /nfs/dbraw/zinc/45/04/12/663450412.db2.gz CADZETCDVLUCKS-AAEUAGOBSA-N 2 2 312.414 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC)C2)C1 ZINC001032196802 663450417 /nfs/dbraw/zinc/45/04/17/663450417.db2.gz CADZETCDVLUCKS-AAEUAGOBSA-N 2 2 312.414 -1.110 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)C1 ZINC001032197684 663450509 /nfs/dbraw/zinc/45/05/09/663450509.db2.gz TZXWKKYVSNBAOR-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)C1 ZINC001032197684 663450510 /nfs/dbraw/zinc/45/05/10/663450510.db2.gz TZXWKKYVSNBAOR-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032202198 663452248 /nfs/dbraw/zinc/45/22/48/663452248.db2.gz OXDYKUCVGQUQJR-STQMWFEESA-N 2 2 310.398 -1.356 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032202198 663452250 /nfs/dbraw/zinc/45/22/50/663452250.db2.gz OXDYKUCVGQUQJR-STQMWFEESA-N 2 2 310.398 -1.356 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546318 663589121 /nfs/dbraw/zinc/58/91/21/663589121.db2.gz HASBGZVVNCSEKS-AAEUAGOBSA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546318 663589122 /nfs/dbraw/zinc/58/91/22/663589122.db2.gz HASBGZVVNCSEKS-AAEUAGOBSA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000546318 663589123 /nfs/dbraw/zinc/58/91/23/663589123.db2.gz HASBGZVVNCSEKS-AAEUAGOBSA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000546318 663589124 /nfs/dbraw/zinc/58/91/24/663589124.db2.gz HASBGZVVNCSEKS-AAEUAGOBSA-N 2 2 310.398 -1.061 20 0 DAADLP O=C(NC1CC1)C(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923305940 663696615 /nfs/dbraw/zinc/69/66/15/663696615.db2.gz MLRRLPSWKSEQDB-ZDUSSCGKSA-N 2 2 322.409 -1.212 20 0 DAADLP O=S(=O)(C1C[NH+](CC[C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923436467 663696931 /nfs/dbraw/zinc/69/69/31/663696931.db2.gz GTLNFWBBQOYKJV-GFCCVEGCSA-N 3 2 302.444 -1.095 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946926943 663698952 /nfs/dbraw/zinc/69/89/52/663698952.db2.gz BHNGZVAPCRZFTG-LLVKDONJSA-N 2 2 321.381 -1.216 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946932987 663699227 /nfs/dbraw/zinc/69/92/27/663699227.db2.gz QDRMAUCVZFSRIE-LBPRGKRZSA-N 2 2 321.381 -1.285 20 0 DAADLP NS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000740423504 663794099 /nfs/dbraw/zinc/79/40/99/663794099.db2.gz KLQSJTJZPQVGFI-OLZOCXBDSA-N 2 2 320.459 -1.052 20 0 DAADLP NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000740423504 663794106 /nfs/dbraw/zinc/79/41/06/663794106.db2.gz KLQSJTJZPQVGFI-OLZOCXBDSA-N 2 2 320.459 -1.052 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[NH+]1CCOCC1 ZINC000751433148 663802888 /nfs/dbraw/zinc/80/28/88/663802888.db2.gz UBTLHLOKIBWLTB-AWEZNQCLSA-N 2 2 315.414 -1.140 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[NH+]1CCOCC1 ZINC000751433149 663803180 /nfs/dbraw/zinc/80/31/80/663803180.db2.gz UBTLHLOKIBWLTB-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000775098977 663821655 /nfs/dbraw/zinc/82/16/55/663821655.db2.gz IUVQCCLNILJXAU-CHWSQXEVSA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000775098977 663821657 /nfs/dbraw/zinc/82/16/57/663821657.db2.gz IUVQCCLNILJXAU-CHWSQXEVSA-N 2 2 321.381 -1.021 20 0 DAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000817917133 663853963 /nfs/dbraw/zinc/85/39/63/663853963.db2.gz LDKZQKZKCZLMCQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP [NH3+]CCN(CCO)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000842050695 663876368 /nfs/dbraw/zinc/87/63/68/663876368.db2.gz GJITXTXOJFPWIQ-UHFFFAOYSA-N 2 2 320.393 -1.102 20 0 DAADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000852749574 663897631 /nfs/dbraw/zinc/89/76/31/663897631.db2.gz AFFOUPZHLAYYFU-NEPJUHHUSA-N 2 2 316.402 -1.073 20 0 DAADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000852749574 663897632 /nfs/dbraw/zinc/89/76/32/663897632.db2.gz AFFOUPZHLAYYFU-NEPJUHHUSA-N 2 2 316.402 -1.073 20 0 DAADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000852749578 663897912 /nfs/dbraw/zinc/89/79/12/663897912.db2.gz AFFOUPZHLAYYFU-NWDGAFQWSA-N 2 2 316.402 -1.073 20 0 DAADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000852749578 663897914 /nfs/dbraw/zinc/89/79/14/663897914.db2.gz AFFOUPZHLAYYFU-NWDGAFQWSA-N 2 2 316.402 -1.073 20 0 DAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852883020 663898877 /nfs/dbraw/zinc/89/88/77/663898877.db2.gz DIBGDLQTFRZVPZ-LLVKDONJSA-N 2 2 311.386 -1.240 20 0 DAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852883020 663898880 /nfs/dbraw/zinc/89/88/80/663898880.db2.gz DIBGDLQTFRZVPZ-LLVKDONJSA-N 2 2 311.386 -1.240 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852897382 663898991 /nfs/dbraw/zinc/89/89/91/663898991.db2.gz PVKDAWPNPHEIAY-GFCCVEGCSA-N 2 2 314.386 -1.103 20 0 DAADLP Cn1nnnc1CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000866668544 663931961 /nfs/dbraw/zinc/93/19/61/663931961.db2.gz GWLGEKSZCCCZTM-UHFFFAOYSA-N 2 2 308.390 -1.605 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418783 663934231 /nfs/dbraw/zinc/93/42/31/663934231.db2.gz KOEFEXWBDNTWTQ-BFHYXJOUSA-N 2 2 324.425 -1.136 20 0 DAADLP COCC[N@@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000923613665 663936147 /nfs/dbraw/zinc/93/61/47/663936147.db2.gz ZYVOBKWZKQWEQW-GFCCVEGCSA-N 2 2 306.432 -1.211 20 0 DAADLP C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000923617794 663936627 /nfs/dbraw/zinc/93/66/27/663936627.db2.gz PAQPIDTXCZIKBY-GFCCVEGCSA-N 2 2 306.432 -1.306 20 0 DAADLP C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000923621345 663937919 /nfs/dbraw/zinc/93/79/19/663937919.db2.gz TYYKKFQKAZYFIR-RYUDHWBXSA-N 2 2 306.432 -1.477 20 0 DAADLP C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000923621345 663937922 /nfs/dbraw/zinc/93/79/22/663937922.db2.gz TYYKKFQKAZYFIR-RYUDHWBXSA-N 2 2 306.432 -1.477 20 0 DAADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000923627822 663938778 /nfs/dbraw/zinc/93/87/78/663938778.db2.gz SOXXMTMZCPMRJQ-UHFFFAOYSA-N 2 2 318.443 -1.067 20 0 DAADLP COCC[NH+]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876715024 663947581 /nfs/dbraw/zinc/94/75/81/663947581.db2.gz FQSNVLYXHIDOJY-AWEZNQCLSA-N 2 2 301.387 -1.218 20 0 DAADLP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745067 663947683 /nfs/dbraw/zinc/94/76/83/663947683.db2.gz YPZKOZZVQAMALP-UPJWGTAASA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745067 663947687 /nfs/dbraw/zinc/94/76/87/663947687.db2.gz YPZKOZZVQAMALP-UPJWGTAASA-N 2 2 310.398 -1.214 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000876986892 663949090 /nfs/dbraw/zinc/94/90/90/663949090.db2.gz NSMZCKXSJGWSQK-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000876966272 663949413 /nfs/dbraw/zinc/94/94/13/663949413.db2.gz OJAOKHWZJZYXFJ-UKRRQHHQSA-N 2 2 313.398 -1.076 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337419 663950345 /nfs/dbraw/zinc/95/03/45/663950345.db2.gz PZEZTEMFAVAGHJ-LBPRGKRZSA-N 2 2 310.398 -1.307 20 0 DAADLP CN1CC[NH+](C2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)CC1 ZINC000923666764 663951167 /nfs/dbraw/zinc/95/11/67/663951167.db2.gz OLVNOOGVUIGFNX-UHFFFAOYSA-N 2 2 302.444 -1.000 20 0 DAADLP COCCN(CCOC)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690770 663979708 /nfs/dbraw/zinc/97/97/08/663979708.db2.gz QFHSGAXSQJBQPQ-UHFFFAOYSA-N 2 2 324.447 -1.679 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926291192 663981555 /nfs/dbraw/zinc/98/15/55/663981555.db2.gz HKBJQCCYXMQBOM-CYBMUJFWSA-N 2 2 312.414 -1.026 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@H]1[NH3+] ZINC000926358753 663983222 /nfs/dbraw/zinc/98/32/22/663983222.db2.gz FLUMDACWSDZXSD-XJFOESAGSA-N 2 2 324.425 -1.029 20 0 DAADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000931879254 663996140 /nfs/dbraw/zinc/99/61/40/663996140.db2.gz WUJGMZVUNSTBMG-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000931879254 663996143 /nfs/dbraw/zinc/99/61/43/663996143.db2.gz WUJGMZVUNSTBMG-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948807 664000179 /nfs/dbraw/zinc/00/01/79/664000179.db2.gz UENMEBGYFPHALW-NEPJUHHUSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948807 664000181 /nfs/dbraw/zinc/00/01/81/664000181.db2.gz UENMEBGYFPHALW-NEPJUHHUSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948807 664000182 /nfs/dbraw/zinc/00/01/82/664000182.db2.gz UENMEBGYFPHALW-NEPJUHHUSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948807 664000184 /nfs/dbraw/zinc/00/01/84/664000184.db2.gz UENMEBGYFPHALW-NEPJUHHUSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700733 664002059 /nfs/dbraw/zinc/00/20/59/664002059.db2.gz SLYQRLCMMNMTOZ-FRRDWIJNSA-N 2 2 323.459 -1.218 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700733 664002062 /nfs/dbraw/zinc/00/20/62/664002062.db2.gz SLYQRLCMMNMTOZ-FRRDWIJNSA-N 2 2 323.459 -1.218 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700733 664002066 /nfs/dbraw/zinc/00/20/66/664002066.db2.gz SLYQRLCMMNMTOZ-FRRDWIJNSA-N 2 2 323.459 -1.218 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700733 664002071 /nfs/dbraw/zinc/00/20/71/664002071.db2.gz SLYQRLCMMNMTOZ-FRRDWIJNSA-N 2 2 323.459 -1.218 20 0 DAADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935980674 664006265 /nfs/dbraw/zinc/00/62/65/664006265.db2.gz LEWVNXFPFCHMEO-MJBXVCDLSA-N 2 2 315.414 -1.095 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)no1 ZINC000958199927 664243856 /nfs/dbraw/zinc/24/38/56/664243856.db2.gz NCRJVJOQSDNDFQ-MFKMUULPSA-N 2 2 312.370 -1.249 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)no1 ZINC000958199927 664243860 /nfs/dbraw/zinc/24/38/60/664243860.db2.gz NCRJVJOQSDNDFQ-MFKMUULPSA-N 2 2 312.370 -1.249 20 0 DAADLP NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958267951 664251670 /nfs/dbraw/zinc/25/16/70/664251670.db2.gz QMOVNFXKYMWNBZ-WCQYABFASA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958267951 664251671 /nfs/dbraw/zinc/25/16/71/664251671.db2.gz QMOVNFXKYMWNBZ-WCQYABFASA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958267948 664251762 /nfs/dbraw/zinc/25/17/62/664251762.db2.gz QMOVNFXKYMWNBZ-AAEUAGOBSA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958267948 664251765 /nfs/dbraw/zinc/25/17/65/664251765.db2.gz QMOVNFXKYMWNBZ-AAEUAGOBSA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958267950 664252077 /nfs/dbraw/zinc/25/20/77/664252077.db2.gz QMOVNFXKYMWNBZ-DGCLKSJQSA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958267950 664252078 /nfs/dbraw/zinc/25/20/78/664252078.db2.gz QMOVNFXKYMWNBZ-DGCLKSJQSA-N 2 2 317.349 -1.158 20 0 DAADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958345726 664259789 /nfs/dbraw/zinc/25/97/89/664259789.db2.gz QYXNZVXNTJEOGF-NWDGAFQWSA-N 2 2 324.381 -1.151 20 0 DAADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958345726 664259793 /nfs/dbraw/zinc/25/97/93/664259793.db2.gz QYXNZVXNTJEOGF-NWDGAFQWSA-N 2 2 324.381 -1.151 20 0 DAADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958345728 664259839 /nfs/dbraw/zinc/25/98/39/664259839.db2.gz QYXNZVXNTJEOGF-VXGBXAGGSA-N 2 2 324.381 -1.151 20 0 DAADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958345728 664259841 /nfs/dbraw/zinc/25/98/41/664259841.db2.gz QYXNZVXNTJEOGF-VXGBXAGGSA-N 2 2 324.381 -1.151 20 0 DAADLP Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)nc1=O ZINC000958379584 664262335 /nfs/dbraw/zinc/26/23/35/664262335.db2.gz WRUFYLROHWPETM-XZUYRWCXSA-N 2 2 320.397 -1.251 20 0 DAADLP Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)nc1=O ZINC000958379584 664262336 /nfs/dbraw/zinc/26/23/36/664262336.db2.gz WRUFYLROHWPETM-XZUYRWCXSA-N 2 2 320.397 -1.251 20 0 DAADLP Cn1[nH]c(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC000958379584 664262338 /nfs/dbraw/zinc/26/23/38/664262338.db2.gz WRUFYLROHWPETM-XZUYRWCXSA-N 2 2 320.397 -1.251 20 0 DAADLP Cn1[nH]c(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC000958379584 664262340 /nfs/dbraw/zinc/26/23/40/664262340.db2.gz WRUFYLROHWPETM-XZUYRWCXSA-N 2 2 320.397 -1.251 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469679 664267893 /nfs/dbraw/zinc/26/78/93/664267893.db2.gz KLPVTIJIZAURFY-SFDCQRBFSA-N 2 2 322.409 -1.404 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469679 664267901 /nfs/dbraw/zinc/26/79/01/664267901.db2.gz KLPVTIJIZAURFY-SFDCQRBFSA-N 2 2 322.409 -1.404 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469679 664267903 /nfs/dbraw/zinc/26/79/03/664267903.db2.gz KLPVTIJIZAURFY-SFDCQRBFSA-N 2 2 322.409 -1.404 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469679 664267906 /nfs/dbraw/zinc/26/79/06/664267906.db2.gz KLPVTIJIZAURFY-SFDCQRBFSA-N 2 2 322.409 -1.404 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000958474156 664268959 /nfs/dbraw/zinc/26/89/59/664268959.db2.gz GWCKPDAUABIFHM-RQJABVFESA-N 2 2 320.397 -1.345 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000958474156 664268962 /nfs/dbraw/zinc/26/89/62/664268962.db2.gz GWCKPDAUABIFHM-RQJABVFESA-N 2 2 320.397 -1.345 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC000958474156 664268965 /nfs/dbraw/zinc/26/89/65/664268965.db2.gz GWCKPDAUABIFHM-RQJABVFESA-N 2 2 320.397 -1.345 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC000958474156 664268968 /nfs/dbraw/zinc/26/89/68/664268968.db2.gz GWCKPDAUABIFHM-RQJABVFESA-N 2 2 320.397 -1.345 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958598033 664280482 /nfs/dbraw/zinc/28/04/82/664280482.db2.gz HHSVVTHDXBEPBU-GXFFZTMASA-N 2 2 321.381 -1.345 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958598033 664280483 /nfs/dbraw/zinc/28/04/83/664280483.db2.gz HHSVVTHDXBEPBU-GXFFZTMASA-N 2 2 321.381 -1.345 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961578849 664346953 /nfs/dbraw/zinc/34/69/53/664346953.db2.gz BIDCHEHFPGUZNP-KZVDOYCCSA-N 2 2 310.398 -1.373 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961578849 664346956 /nfs/dbraw/zinc/34/69/56/664346956.db2.gz BIDCHEHFPGUZNP-KZVDOYCCSA-N 2 2 310.398 -1.373 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000961578849 664346959 /nfs/dbraw/zinc/34/69/59/664346959.db2.gz BIDCHEHFPGUZNP-KZVDOYCCSA-N 2 2 310.398 -1.373 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000961578849 664346962 /nfs/dbraw/zinc/34/69/62/664346962.db2.gz BIDCHEHFPGUZNP-KZVDOYCCSA-N 2 2 310.398 -1.373 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961578848 664347235 /nfs/dbraw/zinc/34/72/35/664347235.db2.gz BIDCHEHFPGUZNP-CZXHOFHRSA-N 2 2 310.398 -1.373 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961578848 664347239 /nfs/dbraw/zinc/34/72/39/664347239.db2.gz BIDCHEHFPGUZNP-CZXHOFHRSA-N 2 2 310.398 -1.373 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000961578848 664347241 /nfs/dbraw/zinc/34/72/41/664347241.db2.gz BIDCHEHFPGUZNP-CZXHOFHRSA-N 2 2 310.398 -1.373 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000961578848 664347245 /nfs/dbraw/zinc/34/72/45/664347245.db2.gz BIDCHEHFPGUZNP-CZXHOFHRSA-N 2 2 310.398 -1.373 20 0 DAADLP Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)nc1=O ZINC000962556355 664379076 /nfs/dbraw/zinc/37/90/76/664379076.db2.gz PKRUGJNMJRITQL-YABSGUDNSA-N 2 2 320.397 -1.249 20 0 DAADLP Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)nc1=O ZINC000962556355 664379079 /nfs/dbraw/zinc/37/90/79/664379079.db2.gz PKRUGJNMJRITQL-YABSGUDNSA-N 2 2 320.397 -1.249 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC000963015390 664387373 /nfs/dbraw/zinc/38/73/73/664387373.db2.gz GSBCGTIZQHZNJB-IMRBUKKESA-N 2 2 318.381 -1.045 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000963015390 664387376 /nfs/dbraw/zinc/38/73/76/664387376.db2.gz GSBCGTIZQHZNJB-IMRBUKKESA-N 2 2 318.381 -1.045 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000963487038 664391611 /nfs/dbraw/zinc/39/16/11/664391611.db2.gz QEUBMTCPTYTLPC-OLZOCXBDSA-N 2 2 321.381 -1.333 20 0 DAADLP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968302991 664474613 /nfs/dbraw/zinc/47/46/13/664474613.db2.gz PSDJQLVREKHTEV-DGCLKSJQSA-N 2 2 308.386 -1.164 20 0 DAADLP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968302991 664474616 /nfs/dbraw/zinc/47/46/16/664474616.db2.gz PSDJQLVREKHTEV-DGCLKSJQSA-N 2 2 308.386 -1.164 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000968304015 664474808 /nfs/dbraw/zinc/47/48/08/664474808.db2.gz URVFJEYVWXSWFE-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000968304015 664474816 /nfs/dbraw/zinc/47/48/16/664474816.db2.gz URVFJEYVWXSWFE-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000968305044 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/nfs/dbraw/zinc/47/83/33/664478333.db2.gz JNONIJJXZZROIM-UPJWGTAASA-N 2 2 321.381 -1.477 20 0 DAADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1)[NH+](C)C ZINC000968456614 664478701 /nfs/dbraw/zinc/47/87/01/664478701.db2.gz SRWZUXQHPRUSTJ-UPJWGTAASA-N 2 2 323.397 -1.089 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014471084 664555082 /nfs/dbraw/zinc/55/50/82/664555082.db2.gz LSMLLHFWVDDCFW-GFCCVEGCSA-N 2 2 322.413 -1.005 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014471084 664555084 /nfs/dbraw/zinc/55/50/84/664555084.db2.gz LSMLLHFWVDDCFW-GFCCVEGCSA-N 2 2 322.413 -1.005 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015821852 664568542 /nfs/dbraw/zinc/56/85/42/664568542.db2.gz BWCRSACREFYLCD-ZDUSSCGKSA-N 2 2 322.413 -1.005 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015821852 664568543 /nfs/dbraw/zinc/56/85/43/664568543.db2.gz BWCRSACREFYLCD-ZDUSSCGKSA-N 2 2 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DAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643576 677690072 /nfs/dbraw/zinc/69/00/72/677690072.db2.gz CZJBBJYYNLEXAZ-MJBXVCDLSA-N 2 2 324.425 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643576 677690073 /nfs/dbraw/zinc/69/00/73/677690073.db2.gz CZJBBJYYNLEXAZ-MJBXVCDLSA-N 2 2 324.425 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643576 677690074 /nfs/dbraw/zinc/69/00/74/677690074.db2.gz CZJBBJYYNLEXAZ-MJBXVCDLSA-N 2 2 324.425 -1.062 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385666 677692901 /nfs/dbraw/zinc/69/29/01/677692901.db2.gz VCQASSVKALMIFV-RDBSUJKOSA-N 2 2 323.397 -1.625 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385666 677692903 /nfs/dbraw/zinc/69/29/03/677692903.db2.gz VCQASSVKALMIFV-RDBSUJKOSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385666 677692904 /nfs/dbraw/zinc/69/29/04/677692904.db2.gz VCQASSVKALMIFV-RDBSUJKOSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385666 677692906 /nfs/dbraw/zinc/69/29/06/677692906.db2.gz VCQASSVKALMIFV-RDBSUJKOSA-N 2 2 323.397 -1.625 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385665 677693032 /nfs/dbraw/zinc/69/30/32/677693032.db2.gz VCQASSVKALMIFV-HZSPNIEDSA-N 2 2 323.397 -1.625 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385665 677693034 /nfs/dbraw/zinc/69/30/34/677693034.db2.gz VCQASSVKALMIFV-HZSPNIEDSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385665 677693036 /nfs/dbraw/zinc/69/30/36/677693036.db2.gz VCQASSVKALMIFV-HZSPNIEDSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385665 677693038 /nfs/dbraw/zinc/69/30/38/677693038.db2.gz VCQASSVKALMIFV-HZSPNIEDSA-N 2 2 323.397 -1.625 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838969 677761479 /nfs/dbraw/zinc/76/14/79/677761479.db2.gz VCQASSVKALMIFV-MCIONIFRSA-N 2 2 323.397 -1.625 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838969 677761481 /nfs/dbraw/zinc/76/14/81/677761481.db2.gz VCQASSVKALMIFV-MCIONIFRSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838969 677761483 /nfs/dbraw/zinc/76/14/83/677761483.db2.gz VCQASSVKALMIFV-MCIONIFRSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838969 677761484 /nfs/dbraw/zinc/76/14/84/677761484.db2.gz VCQASSVKALMIFV-MCIONIFRSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)no1 ZINC001083590623 677806727 /nfs/dbraw/zinc/80/67/27/677806727.db2.gz NQHHBXCVLBWXCP-OLZOCXBDSA-N 2 2 312.370 -1.107 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)no1 ZINC001083590623 677806731 /nfs/dbraw/zinc/80/67/31/677806731.db2.gz NQHHBXCVLBWXCP-OLZOCXBDSA-N 2 2 312.370 -1.107 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083645009 677815482 /nfs/dbraw/zinc/81/54/82/677815482.db2.gz GMTSZDDDGFICOE-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083645009 677815485 /nfs/dbraw/zinc/81/54/85/677815485.db2.gz GMTSZDDDGFICOE-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911139297 677815564 /nfs/dbraw/zinc/81/55/64/677815564.db2.gz ZTCHAQVCWDHLOT-UHFFFAOYSA-N 2 2 308.386 -1.671 20 0 DAADLP C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+]1CCSCC1 ZINC000913182449 677823024 /nfs/dbraw/zinc/82/30/24/677823024.db2.gz HOXUMOAPTAAVQU-DGCLKSJQSA-N 2 2 303.428 -1.109 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083749601 677855634 /nfs/dbraw/zinc/85/56/34/677855634.db2.gz HZUAPJREXSDQJV-UPJWGTAASA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083749601 677855637 /nfs/dbraw/zinc/85/56/37/677855637.db2.gz HZUAPJREXSDQJV-UPJWGTAASA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001083749394 677855745 /nfs/dbraw/zinc/85/57/45/677855745.db2.gz WVHROUKMLVJFHF-KGLIPLIRSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001083749394 677855748 /nfs/dbraw/zinc/85/57/48/677855748.db2.gz WVHROUKMLVJFHF-KGLIPLIRSA-N 2 2 324.425 -1.278 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077566699 677858888 /nfs/dbraw/zinc/85/88/88/677858888.db2.gz LISFNJYFTIOLHJ-MCIONIFRSA-N 2 2 315.414 -1.361 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077566699 677858892 /nfs/dbraw/zinc/85/88/92/677858892.db2.gz LISFNJYFTIOLHJ-MCIONIFRSA-N 2 2 315.414 -1.361 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001077566699 677858896 /nfs/dbraw/zinc/85/88/96/677858896.db2.gz LISFNJYFTIOLHJ-MCIONIFRSA-N 2 2 315.414 -1.361 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077566699 677858898 /nfs/dbraw/zinc/85/88/98/677858898.db2.gz LISFNJYFTIOLHJ-MCIONIFRSA-N 2 2 315.414 -1.361 20 0 DAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083779278 677862799 /nfs/dbraw/zinc/86/27/99/677862799.db2.gz UQEJBXZVAXQPLM-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083779278 677862801 /nfs/dbraw/zinc/86/28/01/677862801.db2.gz UQEJBXZVAXQPLM-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083779278 677862803 /nfs/dbraw/zinc/86/28/03/677862803.db2.gz UQEJBXZVAXQPLM-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083779278 677862806 /nfs/dbraw/zinc/86/28/06/677862806.db2.gz UQEJBXZVAXQPLM-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)CC2 ZINC001077584768 677865017 /nfs/dbraw/zinc/86/50/17/677865017.db2.gz CXJKMSCWMPPNKO-IACUBPJLSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077584768 677865019 /nfs/dbraw/zinc/86/50/19/677865019.db2.gz CXJKMSCWMPPNKO-IACUBPJLSA-N 2 2 308.382 -1.092 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077618425 677869494 /nfs/dbraw/zinc/86/94/94/677869494.db2.gz HZUAPJREXSDQJV-FRRDWIJNSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077618425 677869497 /nfs/dbraw/zinc/86/94/97/677869497.db2.gz HZUAPJREXSDQJV-FRRDWIJNSA-N 2 2 310.398 -1.622 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011714 677904446 /nfs/dbraw/zinc/90/44/46/677904446.db2.gz CXKVCIGVPNSNEH-VXGBXAGGSA-N 2 2 310.398 -1.668 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011714 677904450 /nfs/dbraw/zinc/90/44/50/677904450.db2.gz CXKVCIGVPNSNEH-VXGBXAGGSA-N 2 2 310.398 -1.668 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012241 677904515 /nfs/dbraw/zinc/90/45/15/677904515.db2.gz YPMJHXRPGQVUEF-YNEHKIRRSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012241 677904518 /nfs/dbraw/zinc/90/45/18/677904518.db2.gz YPMJHXRPGQVUEF-YNEHKIRRSA-N 2 2 324.425 -1.280 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001078182144 677918691 /nfs/dbraw/zinc/91/86/91/677918691.db2.gz HQMRWKSQOCTTIY-CHWSQXEVSA-N 2 2 319.369 -1.355 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001078182144 677918694 /nfs/dbraw/zinc/91/86/94/677918694.db2.gz HQMRWKSQOCTTIY-CHWSQXEVSA-N 2 2 319.369 -1.355 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2O)C1 ZINC001078206008 677920103 /nfs/dbraw/zinc/92/01/03/677920103.db2.gz LRAOLIMUHRNOGL-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2O)C1 ZINC001078206008 677920107 /nfs/dbraw/zinc/92/01/07/677920107.db2.gz LRAOLIMUHRNOGL-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)C1 ZINC001078206008 677920111 /nfs/dbraw/zinc/92/01/11/677920111.db2.gz LRAOLIMUHRNOGL-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)C1 ZINC001078206008 677920115 /nfs/dbraw/zinc/92/01/15/677920115.db2.gz LRAOLIMUHRNOGL-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001078272178 677921714 /nfs/dbraw/zinc/92/17/14/677921714.db2.gz KUXNFXKQXYUXIS-CHWSQXEVSA-N 2 2 304.354 -1.059 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001078272178 677921718 /nfs/dbraw/zinc/92/17/18/677921718.db2.gz KUXNFXKQXYUXIS-CHWSQXEVSA-N 2 2 304.354 -1.059 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078514875 677926982 /nfs/dbraw/zinc/92/69/82/677926982.db2.gz ZZQZRHQAWUKUNO-OLZOCXBDSA-N 2 2 321.381 -1.021 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081579466 678085717 /nfs/dbraw/zinc/08/57/17/678085717.db2.gz BDPCHTZTZSVDFX-STQMWFEESA-N 2 2 323.397 -1.230 20 0 DAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368822 678116363 /nfs/dbraw/zinc/11/63/63/678116363.db2.gz OESQUPPAMUTBEJ-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368822 678116364 /nfs/dbraw/zinc/11/63/64/678116364.db2.gz OESQUPPAMUTBEJ-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368822 678116365 /nfs/dbraw/zinc/11/63/65/678116365.db2.gz OESQUPPAMUTBEJ-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368822 678116368 /nfs/dbraw/zinc/11/63/68/678116368.db2.gz OESQUPPAMUTBEJ-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2OC)C1 ZINC001082377340 678116639 /nfs/dbraw/zinc/11/66/39/678116639.db2.gz MMQZOEVAXBJWPV-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2OC)C1 ZINC001082377340 678116642 /nfs/dbraw/zinc/11/66/42/678116642.db2.gz MMQZOEVAXBJWPV-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2OC)C1 ZINC001082377340 678116643 /nfs/dbraw/zinc/11/66/43/678116643.db2.gz MMQZOEVAXBJWPV-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2OC)C1 ZINC001082377340 678116645 /nfs/dbraw/zinc/11/66/45/678116645.db2.gz MMQZOEVAXBJWPV-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2OC)C1 ZINC001082377339 678116800 /nfs/dbraw/zinc/11/68/00/678116800.db2.gz MMQZOEVAXBJWPV-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2OC)C1 ZINC001082377339 678116802 /nfs/dbraw/zinc/11/68/02/678116802.db2.gz MMQZOEVAXBJWPV-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2OC)C1 ZINC001082377339 678116804 /nfs/dbraw/zinc/11/68/04/678116804.db2.gz MMQZOEVAXBJWPV-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2OC)C1 ZINC001082377339 678116805 /nfs/dbraw/zinc/11/68/05/678116805.db2.gz MMQZOEVAXBJWPV-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2OC)C1 ZINC001082377117 678116872 /nfs/dbraw/zinc/11/68/72/678116872.db2.gz DCFOOHAZIWYVQV-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2OC)C1 ZINC001082377117 678116873 /nfs/dbraw/zinc/11/68/73/678116873.db2.gz DCFOOHAZIWYVQV-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)C1 ZINC001082377117 678116876 /nfs/dbraw/zinc/11/68/76/678116876.db2.gz DCFOOHAZIWYVQV-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)C1 ZINC001082377117 678116878 /nfs/dbraw/zinc/11/68/78/678116878.db2.gz DCFOOHAZIWYVQV-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577771 678159046 /nfs/dbraw/zinc/15/90/46/678159046.db2.gz BXOZJOHFRCHDCV-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577771 678159049 /nfs/dbraw/zinc/15/90/49/678159049.db2.gz BXOZJOHFRCHDCV-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072577771 678159053 /nfs/dbraw/zinc/15/90/53/678159053.db2.gz BXOZJOHFRCHDCV-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072577771 678159055 /nfs/dbraw/zinc/15/90/55/678159055.db2.gz BXOZJOHFRCHDCV-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577764 678159172 /nfs/dbraw/zinc/15/91/72/678159172.db2.gz BXOZJOHFRCHDCV-NEPJUHHUSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577764 678159174 /nfs/dbraw/zinc/15/91/74/678159174.db2.gz BXOZJOHFRCHDCV-NEPJUHHUSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072577764 678159177 /nfs/dbraw/zinc/15/91/77/678159177.db2.gz BXOZJOHFRCHDCV-NEPJUHHUSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072577764 678159179 /nfs/dbraw/zinc/15/91/79/678159179.db2.gz BXOZJOHFRCHDCV-NEPJUHHUSA-N 2 2 310.398 -1.275 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578253 678159249 /nfs/dbraw/zinc/15/92/49/678159249.db2.gz IMNQVTXQQUWAOP-CYBMUJFWSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578253 678159252 /nfs/dbraw/zinc/15/92/52/678159252.db2.gz IMNQVTXQQUWAOP-CYBMUJFWSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578253 678159255 /nfs/dbraw/zinc/15/92/55/678159255.db2.gz IMNQVTXQQUWAOP-CYBMUJFWSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578253 678159257 /nfs/dbraw/zinc/15/92/57/678159257.db2.gz IMNQVTXQQUWAOP-CYBMUJFWSA-N 2 2 324.425 -1.061 20 0 DAADLP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578142 678159271 /nfs/dbraw/zinc/15/92/71/678159271.db2.gz HKYKTGBYYORYEF-LBPRGKRZSA-N 2 2 310.398 -1.403 20 0 DAADLP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578142 678159273 /nfs/dbraw/zinc/15/92/73/678159273.db2.gz HKYKTGBYYORYEF-LBPRGKRZSA-N 2 2 310.398 -1.403 20 0 DAADLP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578142 678159274 /nfs/dbraw/zinc/15/92/74/678159274.db2.gz HKYKTGBYYORYEF-LBPRGKRZSA-N 2 2 310.398 -1.403 20 0 DAADLP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578142 678159277 /nfs/dbraw/zinc/15/92/77/678159277.db2.gz HKYKTGBYYORYEF-LBPRGKRZSA-N 2 2 310.398 -1.403 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCNC2=O)C3)C1 ZINC001072577724 678159294 /nfs/dbraw/zinc/15/92/94/678159294.db2.gz AXELRASZJBICGY-STQMWFEESA-N 2 2 322.409 -1.260 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCNC2=O)C3)C1 ZINC001072577724 678159297 /nfs/dbraw/zinc/15/92/97/678159297.db2.gz AXELRASZJBICGY-STQMWFEESA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCNC2=O)C3)C1 ZINC001072577724 678159300 /nfs/dbraw/zinc/15/93/00/678159300.db2.gz AXELRASZJBICGY-STQMWFEESA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)C1 ZINC001072577724 678159302 /nfs/dbraw/zinc/15/93/02/678159302.db2.gz AXELRASZJBICGY-STQMWFEESA-N 2 2 322.409 -1.260 20 0 DAADLP NC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059600 678168188 /nfs/dbraw/zinc/16/81/88/678168188.db2.gz MNVJAUGLKHHBOU-UHFFFAOYSA-N 2 2 310.398 -1.272 20 0 DAADLP NC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059600 678168189 /nfs/dbraw/zinc/16/81/89/678168189.db2.gz MNVJAUGLKHHBOU-UHFFFAOYSA-N 2 2 310.398 -1.272 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001040214426 678234809 /nfs/dbraw/zinc/23/48/09/678234809.db2.gz MWLWHCXLEANQJD-HNNXBMFYSA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167787 678268406 /nfs/dbraw/zinc/26/84/06/678268406.db2.gz RNEVKIYAQYYZEO-BBRMVZONSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167787 678268408 /nfs/dbraw/zinc/26/84/08/678268408.db2.gz RNEVKIYAQYYZEO-BBRMVZONSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167787 678268413 /nfs/dbraw/zinc/26/84/13/678268413.db2.gz RNEVKIYAQYYZEO-BBRMVZONSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167787 678268417 /nfs/dbraw/zinc/26/84/17/678268417.db2.gz RNEVKIYAQYYZEO-BBRMVZONSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168111 678268993 /nfs/dbraw/zinc/26/89/93/678268993.db2.gz UGIMNFYCVBEXHD-DOMZBBRYSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168111 678268997 /nfs/dbraw/zinc/26/89/97/678268997.db2.gz UGIMNFYCVBEXHD-DOMZBBRYSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041168111 678269000 /nfs/dbraw/zinc/26/90/00/678269000.db2.gz UGIMNFYCVBEXHD-DOMZBBRYSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168111 678269004 /nfs/dbraw/zinc/26/90/04/678269004.db2.gz UGIMNFYCVBEXHD-DOMZBBRYSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168112 678269052 /nfs/dbraw/zinc/26/90/52/678269052.db2.gz UGIMNFYCVBEXHD-IUODEOHRSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168112 678269056 /nfs/dbraw/zinc/26/90/56/678269056.db2.gz UGIMNFYCVBEXHD-IUODEOHRSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041168112 678269062 /nfs/dbraw/zinc/26/90/62/678269062.db2.gz UGIMNFYCVBEXHD-IUODEOHRSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168112 678269065 /nfs/dbraw/zinc/26/90/65/678269065.db2.gz UGIMNFYCVBEXHD-IUODEOHRSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001042104303 678315745 /nfs/dbraw/zinc/31/57/45/678315745.db2.gz NJMQWRNORLQVLN-GFCCVEGCSA-N 2 2 321.381 -1.333 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001042104303 678315750 /nfs/dbraw/zinc/31/57/50/678315750.db2.gz NJMQWRNORLQVLN-GFCCVEGCSA-N 2 2 321.381 -1.333 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001042104304 678315788 /nfs/dbraw/zinc/31/57/88/678315788.db2.gz NJMQWRNORLQVLN-LBPRGKRZSA-N 2 2 321.381 -1.333 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001042104304 678315792 /nfs/dbraw/zinc/31/57/92/678315792.db2.gz NJMQWRNORLQVLN-LBPRGKRZSA-N 2 2 321.381 -1.333 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001042105288 678316013 /nfs/dbraw/zinc/31/60/13/678316013.db2.gz YLBFHDSJUNAOAG-LBPRGKRZSA-N 2 2 321.381 -1.264 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001042105288 678316016 /nfs/dbraw/zinc/31/60/16/678316016.db2.gz YLBFHDSJUNAOAG-LBPRGKRZSA-N 2 2 321.381 -1.264 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042826942 678347250 /nfs/dbraw/zinc/34/72/50/678347250.db2.gz OZNDLOTUIGRPNF-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001043117992 678366264 /nfs/dbraw/zinc/36/62/64/678366264.db2.gz DAXADDPEPBKFEF-GFCCVEGCSA-N 2 2 321.381 -1.476 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001043117992 678366270 /nfs/dbraw/zinc/36/62/70/678366270.db2.gz DAXADDPEPBKFEF-GFCCVEGCSA-N 2 2 321.381 -1.476 20 0 DAADLP O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043128103 678368139 /nfs/dbraw/zinc/36/81/39/678368139.db2.gz UGFDRVAVHPGONI-UHFFFAOYSA-N 2 2 321.381 -1.263 20 0 DAADLP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043711741 678390858 /nfs/dbraw/zinc/39/08/58/678390858.db2.gz QTDOKMARDRBHBB-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044011069 678409234 /nfs/dbraw/zinc/40/92/34/678409234.db2.gz IWJWTXDPTAAVKX-UHFFFAOYSA-N 2 2 323.397 -1.396 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001044301991 678419447 /nfs/dbraw/zinc/41/94/47/678419447.db2.gz DFTDIRSCRKAAEO-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001044301991 678419450 /nfs/dbraw/zinc/41/94/50/678419450.db2.gz DFTDIRSCRKAAEO-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281460 678453778 /nfs/dbraw/zinc/45/37/78/678453778.db2.gz JETLKIBKKPLQES-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045287524 678454357 /nfs/dbraw/zinc/45/43/57/678454357.db2.gz VWMGGFGCLRTJGY-UHFFFAOYSA-N 2 2 323.397 -1.018 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045287524 678454361 /nfs/dbraw/zinc/45/43/61/678454361.db2.gz VWMGGFGCLRTJGY-UHFFFAOYSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001045710589 678469581 /nfs/dbraw/zinc/46/95/81/678469581.db2.gz YRSJVDDLQCPECH-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713803 678469938 /nfs/dbraw/zinc/46/99/38/678469938.db2.gz QKLTZPBCBOBLOA-UHFFFAOYSA-N 2 2 323.397 -1.098 20 0 DAADLP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045719917 678470069 /nfs/dbraw/zinc/47/00/69/678470069.db2.gz GBIMDVCYQYYJEK-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045719917 678470074 /nfs/dbraw/zinc/47/00/74/678470074.db2.gz GBIMDVCYQYYJEK-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047171237 678501136 /nfs/dbraw/zinc/50/11/36/678501136.db2.gz GQYBMNYVXIGCJV-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177473 678501594 /nfs/dbraw/zinc/50/15/94/678501594.db2.gz PYLUFZVZZHCDAA-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047458751 678522070 /nfs/dbraw/zinc/52/20/70/678522070.db2.gz DHALSZIITZBKLK-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047458751 678522072 /nfs/dbraw/zinc/52/20/72/678522072.db2.gz DHALSZIITZBKLK-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047486376 678524110 /nfs/dbraw/zinc/52/41/10/678524110.db2.gz KCRBSWGOPQGFDD-RFGFWPKPSA-N 2 2 324.425 -1.185 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047486376 678524113 /nfs/dbraw/zinc/52/41/13/678524113.db2.gz KCRBSWGOPQGFDD-RFGFWPKPSA-N 2 2 324.425 -1.185 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047486376 678524115 /nfs/dbraw/zinc/52/41/15/678524115.db2.gz KCRBSWGOPQGFDD-RFGFWPKPSA-N 2 2 324.425 -1.185 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047486376 678524118 /nfs/dbraw/zinc/52/41/18/678524118.db2.gz KCRBSWGOPQGFDD-RFGFWPKPSA-N 2 2 324.425 -1.185 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047499346 678525397 /nfs/dbraw/zinc/52/53/97/678525397.db2.gz HGVHVRVTMSYZML-IHRRRGAJSA-N 2 2 315.414 -1.409 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047499346 678525399 /nfs/dbraw/zinc/52/53/99/678525399.db2.gz HGVHVRVTMSYZML-IHRRRGAJSA-N 2 2 315.414 -1.409 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001047499346 678525401 /nfs/dbraw/zinc/52/54/01/678525401.db2.gz HGVHVRVTMSYZML-IHRRRGAJSA-N 2 2 315.414 -1.409 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047499346 678525402 /nfs/dbraw/zinc/52/54/02/678525402.db2.gz HGVHVRVTMSYZML-IHRRRGAJSA-N 2 2 315.414 -1.409 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511503 678527621 /nfs/dbraw/zinc/52/76/21/678527621.db2.gz GZQVZUDZMAVEIT-DRZSPHRISA-N 2 2 312.414 -1.295 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511503 678527623 /nfs/dbraw/zinc/52/76/23/678527623.db2.gz GZQVZUDZMAVEIT-DRZSPHRISA-N 2 2 312.414 -1.295 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047598299 678534446 /nfs/dbraw/zinc/53/44/46/678534446.db2.gz FEZAKXOUGMKASX-AGIUHOORSA-N 2 2 322.409 -1.526 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047598299 678534450 /nfs/dbraw/zinc/53/44/50/678534450.db2.gz FEZAKXOUGMKASX-AGIUHOORSA-N 2 2 322.409 -1.526 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598284 678534599 /nfs/dbraw/zinc/53/45/99/678534599.db2.gz DNCWCKLURNGPOA-RYUDHWBXSA-N 2 2 310.398 -1.668 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598284 678534603 /nfs/dbraw/zinc/53/46/03/678534603.db2.gz DNCWCKLURNGPOA-RYUDHWBXSA-N 2 2 310.398 -1.668 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739629 678559112 /nfs/dbraw/zinc/55/91/12/678559112.db2.gz MNBMJAIZMHKRJW-IGQOVBAYSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739629 678559113 /nfs/dbraw/zinc/55/91/13/678559113.db2.gz MNBMJAIZMHKRJW-IGQOVBAYSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739629 678559115 /nfs/dbraw/zinc/55/91/15/678559115.db2.gz MNBMJAIZMHKRJW-IGQOVBAYSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739629 678559116 /nfs/dbraw/zinc/55/91/16/678559116.db2.gz MNBMJAIZMHKRJW-IGQOVBAYSA-N 2 2 324.425 -1.158 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049222482 678578746 /nfs/dbraw/zinc/57/87/46/678578746.db2.gz JIWQXDGXGLTHPP-XQQFMLRXSA-N 2 2 310.398 -1.417 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049222482 678578751 /nfs/dbraw/zinc/57/87/51/678578751.db2.gz JIWQXDGXGLTHPP-XQQFMLRXSA-N 2 2 310.398 -1.417 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049222482 678578754 /nfs/dbraw/zinc/57/87/54/678578754.db2.gz JIWQXDGXGLTHPP-XQQFMLRXSA-N 2 2 310.398 -1.417 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049222482 678578758 /nfs/dbraw/zinc/57/87/58/678578758.db2.gz JIWQXDGXGLTHPP-XQQFMLRXSA-N 2 2 310.398 -1.417 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057212159 678699974 /nfs/dbraw/zinc/69/99/74/678699974.db2.gz JZKCGIRICPYFDX-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057212159 678699979 /nfs/dbraw/zinc/69/99/79/678699979.db2.gz JZKCGIRICPYFDX-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001057635668 678734186 /nfs/dbraw/zinc/73/41/86/678734186.db2.gz GTSLMKORZFCLBN-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001057635668 678734190 /nfs/dbraw/zinc/73/41/90/678734190.db2.gz GTSLMKORZFCLBN-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051745898 678768198 /nfs/dbraw/zinc/76/81/98/678768198.db2.gz XFWJAZUMYVBYJC-QWHCGFSZSA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051848173 678775678 /nfs/dbraw/zinc/77/56/78/678775678.db2.gz MRFNMQDXWMOOBN-RYUDHWBXSA-N 2 2 307.354 -1.342 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051848172 678775915 /nfs/dbraw/zinc/77/59/15/678775915.db2.gz MRFNMQDXWMOOBN-NWDGAFQWSA-N 2 2 307.354 -1.342 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051848171 678775980 /nfs/dbraw/zinc/77/59/80/678775980.db2.gz MRFNMQDXWMOOBN-NEPJUHHUSA-N 2 2 307.354 -1.342 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051848174 678776027 /nfs/dbraw/zinc/77/60/27/678776027.db2.gz MRFNMQDXWMOOBN-VXGBXAGGSA-N 2 2 307.354 -1.342 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)C1=O ZINC001051884895 678777947 /nfs/dbraw/zinc/77/79/47/678777947.db2.gz VJPLNFIRZICCKV-RYUDHWBXSA-N 2 2 321.381 -1.000 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051916963 678778691 /nfs/dbraw/zinc/77/86/91/678778691.db2.gz QBYNWYUCKFFTBX-RYUDHWBXSA-N 2 2 321.381 -1.034 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116969 678786357 /nfs/dbraw/zinc/78/63/57/678786357.db2.gz CHISSVMQWSKQPQ-ZIAGYGMSSA-N 2 2 323.441 -1.358 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116969 678786358 /nfs/dbraw/zinc/78/63/58/678786358.db2.gz CHISSVMQWSKQPQ-ZIAGYGMSSA-N 2 2 323.441 -1.358 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116966 678786977 /nfs/dbraw/zinc/78/69/77/678786977.db2.gz CHISSVMQWSKQPQ-KBPBESRZSA-N 2 2 323.441 -1.358 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116966 678786979 /nfs/dbraw/zinc/78/69/79/678786979.db2.gz CHISSVMQWSKQPQ-KBPBESRZSA-N 2 2 323.441 -1.358 20 0 DAADLP O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057996585 678801017 /nfs/dbraw/zinc/80/10/17/678801017.db2.gz PKAWVUMKZGCKNV-UHFFFAOYSA-N 2 2 323.397 -1.084 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057993964 678801087 /nfs/dbraw/zinc/80/10/87/678801087.db2.gz DYFAITYZRMTPTC-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057993964 678801090 /nfs/dbraw/zinc/80/10/90/678801090.db2.gz DYFAITYZRMTPTC-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)C1 ZINC001057996779 678801491 /nfs/dbraw/zinc/80/14/91/678801491.db2.gz XRQDRTMFHVFJES-CYBMUJFWSA-N 2 2 323.397 -1.228 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)C1 ZINC001057996779 678801494 /nfs/dbraw/zinc/80/14/94/678801494.db2.gz XRQDRTMFHVFJES-CYBMUJFWSA-N 2 2 323.397 -1.228 20 0 DAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109483 678854368 /nfs/dbraw/zinc/85/43/68/678854368.db2.gz YXKORCGDPWPFQF-UPJWGTAASA-N 2 2 319.369 -1.103 20 0 DAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109483 678854369 /nfs/dbraw/zinc/85/43/69/678854369.db2.gz YXKORCGDPWPFQF-UPJWGTAASA-N 2 2 319.369 -1.103 20 0 DAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109484 678854911 /nfs/dbraw/zinc/85/49/11/678854911.db2.gz YXKORCGDPWPFQF-XQQFMLRXSA-N 2 2 319.369 -1.103 20 0 DAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109484 678854916 /nfs/dbraw/zinc/85/49/16/678854916.db2.gz YXKORCGDPWPFQF-XQQFMLRXSA-N 2 2 319.369 -1.103 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742997 678859864 /nfs/dbraw/zinc/85/98/64/678859864.db2.gz SKENVBVSEAXIRW-KBPBESRZSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742997 678859865 /nfs/dbraw/zinc/85/98/65/678859865.db2.gz SKENVBVSEAXIRW-KBPBESRZSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742997 678859867 /nfs/dbraw/zinc/85/98/67/678859867.db2.gz SKENVBVSEAXIRW-KBPBESRZSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742997 678859868 /nfs/dbraw/zinc/85/98/68/678859868.db2.gz SKENVBVSEAXIRW-KBPBESRZSA-N 3 2 316.446 -1.288 20 0 DAADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070336979 678864563 /nfs/dbraw/zinc/86/45/63/678864563.db2.gz GDDUSNRRSLMHOA-MNOVXSKESA-N 2 2 318.341 -1.998 20 0 DAADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070338349 678864566 /nfs/dbraw/zinc/86/45/66/678864566.db2.gz ZAERRAQLMRPRIV-XQQFMLRXSA-N 2 2 319.369 -1.103 20 0 DAADLP CC[C@H](C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1)[NH+](C)C ZINC001070973431 678879451 /nfs/dbraw/zinc/87/94/51/678879451.db2.gz MARFWCHLTMMRFH-CYBMUJFWSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[C@H](C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1)[NH+](C)C ZINC001070973431 678879454 /nfs/dbraw/zinc/87/94/54/678879454.db2.gz MARFWCHLTMMRFH-CYBMUJFWSA-N 2 2 314.430 -1.031 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201943866 782225696 /nfs/dbraw/zinc/22/56/96/782225696.db2.gz BBLDADLZSFTRNL-NSHDSACASA-N 2 2 309.370 -1.047 20 0 DAADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1)C(N)=O ZINC001202218392 782230572 /nfs/dbraw/zinc/23/05/72/782230572.db2.gz YOAVVFKMXWSKIG-VXGBXAGGSA-N 2 2 309.370 -1.036 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115244739 782245024 /nfs/dbraw/zinc/24/50/24/782245024.db2.gz DQDCHINFZWOGJE-NMKXLXIOSA-N 2 2 310.398 -1.514 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115244739 782245029 /nfs/dbraw/zinc/24/50/29/782245029.db2.gz DQDCHINFZWOGJE-NMKXLXIOSA-N 2 2 310.398 -1.514 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114405650 782245375 /nfs/dbraw/zinc/24/53/75/782245375.db2.gz XOYGGFUIJRJYSY-CZXHOFHRSA-N 2 2 320.397 -1.655 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114405650 782245385 /nfs/dbraw/zinc/24/53/85/782245385.db2.gz XOYGGFUIJRJYSY-CZXHOFHRSA-N 2 2 320.397 -1.655 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453707 782251044 /nfs/dbraw/zinc/25/10/44/782251044.db2.gz ORJYPTUJHMYKTQ-VVSAWPALSA-N 2 2 324.425 -1.112 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453707 782251055 /nfs/dbraw/zinc/25/10/55/782251055.db2.gz ORJYPTUJHMYKTQ-VVSAWPALSA-N 2 2 324.425 -1.112 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114453707 782251065 /nfs/dbraw/zinc/25/10/65/782251065.db2.gz ORJYPTUJHMYKTQ-VVSAWPALSA-N 2 2 324.425 -1.112 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114453707 782251068 /nfs/dbraw/zinc/25/10/68/782251068.db2.gz ORJYPTUJHMYKTQ-VVSAWPALSA-N 2 2 324.425 -1.112 20 0 DAADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274569802 782284783 /nfs/dbraw/zinc/28/47/83/782284783.db2.gz NEUKEUBDDPKCQG-ZFWWWQNUSA-N 2 2 324.381 -1.423 20 0 DAADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274569802 782284791 /nfs/dbraw/zinc/28/47/91/782284791.db2.gz NEUKEUBDDPKCQG-ZFWWWQNUSA-N 2 2 324.381 -1.423 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047627175 782406532 /nfs/dbraw/zinc/40/65/32/782406532.db2.gz MWONOCZJNBDALT-KBPBESRZSA-N 2 2 322.413 -1.123 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047627175 782406535 /nfs/dbraw/zinc/40/65/35/782406535.db2.gz MWONOCZJNBDALT-KBPBESRZSA-N 2 2 322.413 -1.123 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047627097 782406973 /nfs/dbraw/zinc/40/69/73/782406973.db2.gz JTVNCNADFZXDJP-IHRRRGAJSA-N 2 2 324.425 -1.184 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047627097 782406977 /nfs/dbraw/zinc/40/69/77/782406977.db2.gz JTVNCNADFZXDJP-IHRRRGAJSA-N 2 2 324.425 -1.184 20 0 DAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905748 782435492 /nfs/dbraw/zinc/43/54/92/782435492.db2.gz NLICHMMYMWLEFW-FRRDWIJNSA-N 2 2 308.386 -1.030 20 0 DAADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905748 782435495 /nfs/dbraw/zinc/43/54/95/782435495.db2.gz NLICHMMYMWLEFW-FRRDWIJNSA-N 2 2 308.386 -1.030 20 0 DAADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905748 782435497 /nfs/dbraw/zinc/43/54/97/782435497.db2.gz NLICHMMYMWLEFW-FRRDWIJNSA-N 2 2 308.386 -1.030 20 0 DAADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905748 782435498 /nfs/dbraw/zinc/43/54/98/782435498.db2.gz NLICHMMYMWLEFW-FRRDWIJNSA-N 2 2 308.386 -1.030 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880139 782502975 /nfs/dbraw/zinc/50/29/75/782502975.db2.gz VXFLSSBNDQFWBL-STQMWFEESA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880139 782502980 /nfs/dbraw/zinc/50/29/80/782502980.db2.gz VXFLSSBNDQFWBL-STQMWFEESA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880139 782502984 /nfs/dbraw/zinc/50/29/84/782502984.db2.gz VXFLSSBNDQFWBL-STQMWFEESA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880139 782502989 /nfs/dbraw/zinc/50/29/89/782502989.db2.gz VXFLSSBNDQFWBL-STQMWFEESA-N 2 2 312.414 -1.232 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985405 782524618 /nfs/dbraw/zinc/52/46/18/782524618.db2.gz CAHCUMJZTRFZPX-QWHCGFSZSA-N 2 2 310.402 -1.182 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985405 782524625 /nfs/dbraw/zinc/52/46/25/782524625.db2.gz CAHCUMJZTRFZPX-QWHCGFSZSA-N 2 2 310.402 -1.182 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001100041505 782537218 /nfs/dbraw/zinc/53/72/18/782537218.db2.gz KHOGRVARBUWDND-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001100041505 782537225 /nfs/dbraw/zinc/53/72/25/782537225.db2.gz KHOGRVARBUWDND-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100064404 782543328 /nfs/dbraw/zinc/54/33/28/782543328.db2.gz MBTIAKBYKKAXJB-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100064404 782543336 /nfs/dbraw/zinc/54/33/36/782543336.db2.gz MBTIAKBYKKAXJB-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001100064404 782543343 /nfs/dbraw/zinc/54/33/43/782543343.db2.gz MBTIAKBYKKAXJB-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001100064404 782543345 /nfs/dbraw/zinc/54/33/45/782543345.db2.gz MBTIAKBYKKAXJB-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100064402 782544511 /nfs/dbraw/zinc/54/45/11/782544511.db2.gz MBTIAKBYKKAXJB-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001100064402 782544517 /nfs/dbraw/zinc/54/45/17/782544517.db2.gz MBTIAKBYKKAXJB-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001100064402 782544520 /nfs/dbraw/zinc/54/45/20/782544520.db2.gz MBTIAKBYKKAXJB-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100064402 782544502 /nfs/dbraw/zinc/54/45/02/782544502.db2.gz MBTIAKBYKKAXJB-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100077256 782546299 /nfs/dbraw/zinc/54/62/99/782546299.db2.gz ZLWYTSHIDWYVNI-WDEREUQCSA-N 2 2 302.375 -2.399 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100077256 782546304 /nfs/dbraw/zinc/54/63/04/782546304.db2.gz ZLWYTSHIDWYVNI-WDEREUQCSA-N 2 2 302.375 -2.399 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100083111 782548366 /nfs/dbraw/zinc/54/83/66/782548366.db2.gz NGHVIWQBRYUYNC-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100083111 782548376 /nfs/dbraw/zinc/54/83/76/782548376.db2.gz NGHVIWQBRYUYNC-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001100083111 782548380 /nfs/dbraw/zinc/54/83/80/782548380.db2.gz NGHVIWQBRYUYNC-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001100083111 782548388 /nfs/dbraw/zinc/54/83/88/782548388.db2.gz NGHVIWQBRYUYNC-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109858 782555555 /nfs/dbraw/zinc/55/55/55/782555555.db2.gz LOOSEYPMXRKPDW-QWHCGFSZSA-N 2 2 312.414 -1.230 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109858 782555562 /nfs/dbraw/zinc/55/55/62/782555562.db2.gz LOOSEYPMXRKPDW-QWHCGFSZSA-N 2 2 312.414 -1.230 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110581 782555270 /nfs/dbraw/zinc/55/52/70/782555270.db2.gz YCBPQHXKGNAPOV-OLZOCXBDSA-N 2 2 323.397 -1.121 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110581 782555279 /nfs/dbraw/zinc/55/52/79/782555279.db2.gz YCBPQHXKGNAPOV-OLZOCXBDSA-N 2 2 323.397 -1.121 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100871097 782586698 /nfs/dbraw/zinc/58/66/98/782586698.db2.gz AUKUOSKKLCYAHY-UHFFFAOYSA-N 2 2 322.369 -1.358 20 0 DAADLP C[C@@H]([NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001101069497 782589869 /nfs/dbraw/zinc/58/98/69/782589869.db2.gz PPOBRARGBLYOSZ-KPPDAEKUSA-N 2 2 322.369 -1.049 20 0 DAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406148 782618044 /nfs/dbraw/zinc/61/80/44/782618044.db2.gz FAZCSXCLYGVPDB-NXEZZACHSA-N 2 2 322.369 -1.169 20 0 DAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406148 782618054 /nfs/dbraw/zinc/61/80/54/782618054.db2.gz FAZCSXCLYGVPDB-NXEZZACHSA-N 2 2 322.369 -1.169 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245167 782648630 /nfs/dbraw/zinc/64/86/30/782648630.db2.gz MQYVLQKQWXOBAG-CXTNEJHOSA-N 2 2 324.425 -1.253 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245167 782648638 /nfs/dbraw/zinc/64/86/38/782648638.db2.gz MQYVLQKQWXOBAG-CXTNEJHOSA-N 2 2 324.425 -1.253 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115244737 782648715 /nfs/dbraw/zinc/64/87/15/782648715.db2.gz DQDCHINFZWOGJE-CIQGVGRVSA-N 2 2 310.398 -1.514 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115244737 782648717 /nfs/dbraw/zinc/64/87/17/782648717.db2.gz DQDCHINFZWOGJE-CIQGVGRVSA-N 2 2 310.398 -1.514 20 0 DAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118865800 782736532 /nfs/dbraw/zinc/73/65/32/782736532.db2.gz SJIFLYKMNJVQDI-NEPJUHHUSA-N 2 2 313.402 -2.547 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001266310008 775127645 /nfs/dbraw/zinc/12/76/45/775127645.db2.gz BSOOPXFFUGCYTF-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001266310008 775127651 /nfs/dbraw/zinc/12/76/51/775127651.db2.gz BSOOPXFFUGCYTF-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001266310008 775127664 /nfs/dbraw/zinc/12/76/64/775127664.db2.gz BSOOPXFFUGCYTF-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266310008 775127668 /nfs/dbraw/zinc/12/76/68/775127668.db2.gz BSOOPXFFUGCYTF-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349576 775156451 /nfs/dbraw/zinc/15/64/51/775156451.db2.gz BKDIOVPLOAOQDR-UHFFFAOYSA-N 2 2 303.388 -1.403 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001167355396 775156800 /nfs/dbraw/zinc/15/68/00/775156800.db2.gz FRXJWHUOYSRDIH-UHFFFAOYSA-N 2 2 322.369 -1.994 20 0 DAADLP CN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267446352 775240713 /nfs/dbraw/zinc/24/07/13/775240713.db2.gz POFPYPFYKLESAD-UHFFFAOYSA-N 2 2 322.369 -2.041 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135351 775258990 /nfs/dbraw/zinc/25/89/90/775258990.db2.gz XBFQEENSENPHJO-SECBINFHSA-N 2 2 310.358 -1.189 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267678008 775265626 /nfs/dbraw/zinc/26/56/26/775265626.db2.gz JODJAVWGZCIKLZ-CYBMUJFWSA-N 2 2 301.387 -1.626 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267678008 775265632 /nfs/dbraw/zinc/26/56/32/775265632.db2.gz JODJAVWGZCIKLZ-CYBMUJFWSA-N 2 2 301.387 -1.626 20 0 DAADLP CC[NH+](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105348052 775343108 /nfs/dbraw/zinc/34/31/08/775343108.db2.gz UDYKGAYMCIRDNF-UHFFFAOYSA-N 2 2 323.401 -1.422 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268330661 775374158 /nfs/dbraw/zinc/37/41/58/775374158.db2.gz APFJNBZAAVRAGQ-NSHDSACASA-N 2 2 324.385 -1.647 20 0 DAADLP CCC[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105365201 775389165 /nfs/dbraw/zinc/38/91/65/775389165.db2.gz KSVUSTKREQLXOW-UHFFFAOYSA-N 2 2 323.401 -1.422 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105365201 775389173 /nfs/dbraw/zinc/38/91/73/775389173.db2.gz KSVUSTKREQLXOW-UHFFFAOYSA-N 2 2 323.401 -1.422 20 0 DAADLP C[C@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001268759496 775421617 /nfs/dbraw/zinc/42/16/17/775421617.db2.gz LWIUQKOXQUQEKT-LLVKDONJSA-N 2 2 322.369 -1.129 20 0 DAADLP C[C@H](C[N@@H+](C)CCN1C(=O)CNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001268759496 775421622 /nfs/dbraw/zinc/42/16/22/775421622.db2.gz LWIUQKOXQUQEKT-LLVKDONJSA-N 2 2 322.369 -1.129 20 0 DAADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279919191 775435349 /nfs/dbraw/zinc/43/53/49/775435349.db2.gz CSDGUCXRDJGIIW-UHFFFAOYSA-N 2 2 309.370 -1.474 20 0 DAADLP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001269298649 775456937 /nfs/dbraw/zinc/45/69/37/775456937.db2.gz NJSHEMXMPYHAIT-UHFFFAOYSA-N 2 2 321.381 -1.116 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088208434 775583194 /nfs/dbraw/zinc/58/31/94/775583194.db2.gz ZFMUHWRURJZOSB-RDBSUJKOSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088208434 775583195 /nfs/dbraw/zinc/58/31/95/775583195.db2.gz ZFMUHWRURJZOSB-RDBSUJKOSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088208434 775583197 /nfs/dbraw/zinc/58/31/97/775583197.db2.gz ZFMUHWRURJZOSB-RDBSUJKOSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088208434 775583208 /nfs/dbraw/zinc/58/32/08/775583208.db2.gz ZFMUHWRURJZOSB-RDBSUJKOSA-N 2 2 324.425 -1.027 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1CC(N)=O ZINC001088757222 775655765 /nfs/dbraw/zinc/65/57/65/775655765.db2.gz OFPSONJEGJWWNV-FAZPBVIHSA-N 2 2 322.409 -1.086 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1CC(N)=O ZINC001088757222 775655771 /nfs/dbraw/zinc/65/57/71/775655771.db2.gz OFPSONJEGJWWNV-FAZPBVIHSA-N 2 2 322.409 -1.086 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+]1CC(N)=O ZINC001088757222 775655781 /nfs/dbraw/zinc/65/57/81/775655781.db2.gz OFPSONJEGJWWNV-FAZPBVIHSA-N 2 2 322.409 -1.086 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785950 775862813 /nfs/dbraw/zinc/86/28/13/775862813.db2.gz RSNKYXUPRUHOOF-UHFFFAOYSA-N 2 2 322.369 -1.337 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)O1 ZINC001108023439 775923491 /nfs/dbraw/zinc/92/34/91/775923491.db2.gz BRPDTTAZTTWXQR-UMVBOHGHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)O1 ZINC001108023439 775923499 /nfs/dbraw/zinc/92/34/99/775923499.db2.gz BRPDTTAZTTWXQR-UMVBOHGHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)O1 ZINC001108023439 775923504 /nfs/dbraw/zinc/92/35/04/775923504.db2.gz BRPDTTAZTTWXQR-UMVBOHGHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)O1 ZINC001108023439 775923508 /nfs/dbraw/zinc/92/35/08/775923508.db2.gz BRPDTTAZTTWXQR-UMVBOHGHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083833782 775973362 /nfs/dbraw/zinc/97/33/62/775973362.db2.gz VIMVXZJLGKQKGG-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083833782 775973366 /nfs/dbraw/zinc/97/33/66/775973366.db2.gz VIMVXZJLGKQKGG-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353456 776103966 /nfs/dbraw/zinc/10/39/66/776103966.db2.gz DBDKEKSHJREIKH-STQMWFEESA-N 2 2 324.425 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353456 776103982 /nfs/dbraw/zinc/10/39/82/776103982.db2.gz DBDKEKSHJREIKH-STQMWFEESA-N 2 2 324.425 -1.101 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953425 776141459 /nfs/dbraw/zinc/14/14/59/776141459.db2.gz SCZRJYSAXRBRKY-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953425 776141462 /nfs/dbraw/zinc/14/14/62/776141462.db2.gz SCZRJYSAXRBRKY-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953425 776141466 /nfs/dbraw/zinc/14/14/66/776141466.db2.gz SCZRJYSAXRBRKY-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953425 776141470 /nfs/dbraw/zinc/14/14/70/776141470.db2.gz SCZRJYSAXRBRKY-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959591 776146983 /nfs/dbraw/zinc/14/69/83/776146983.db2.gz ZPNWYOKSCIJZCU-TUAOUCFPSA-N 2 2 310.398 -1.622 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959591 776146990 /nfs/dbraw/zinc/14/69/90/776146990.db2.gz ZPNWYOKSCIJZCU-TUAOUCFPSA-N 2 2 310.398 -1.622 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001084060257 776162607 /nfs/dbraw/zinc/16/26/07/776162607.db2.gz OWQOSEHRWYPLDW-UPJWGTAASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001084060257 776162609 /nfs/dbraw/zinc/16/26/09/776162609.db2.gz OWQOSEHRWYPLDW-UPJWGTAASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001084060133 776163502 /nfs/dbraw/zinc/16/35/02/776163502.db2.gz JHNSGTNVFXWEJI-RTXFEEFZSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001084060133 776163505 /nfs/dbraw/zinc/16/35/05/776163505.db2.gz JHNSGTNVFXWEJI-RTXFEEFZSA-N 2 2 323.397 -1.170 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001084114861 776166377 /nfs/dbraw/zinc/16/63/77/776166377.db2.gz KUXNFXKQXYUXIS-OLZOCXBDSA-N 2 2 304.354 -1.059 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001084114861 776166386 /nfs/dbraw/zinc/16/63/86/776166386.db2.gz KUXNFXKQXYUXIS-OLZOCXBDSA-N 2 2 304.354 -1.059 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910902 776193220 /nfs/dbraw/zinc/19/32/20/776193220.db2.gz HIVLADKCRLNRET-HZSPNIEDSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910902 776193228 /nfs/dbraw/zinc/19/32/28/776193228.db2.gz HIVLADKCRLNRET-HZSPNIEDSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910902 776193235 /nfs/dbraw/zinc/19/32/35/776193235.db2.gz HIVLADKCRLNRET-HZSPNIEDSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910902 776193244 /nfs/dbraw/zinc/19/32/44/776193244.db2.gz HIVLADKCRLNRET-HZSPNIEDSA-N 2 2 324.425 -1.014 20 0 DAADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000825641667 776206263 /nfs/dbraw/zinc/20/62/63/776206263.db2.gz MBQFBYNKJHAUGD-NSHDSACASA-N 2 2 314.415 -1.484 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099985465 776214713 /nfs/dbraw/zinc/21/47/13/776214713.db2.gz COCZXGCJFISSPJ-VHSXEESVSA-N 2 2 315.374 -2.316 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099985465 776214721 /nfs/dbraw/zinc/21/47/21/776214721.db2.gz COCZXGCJFISSPJ-VHSXEESVSA-N 2 2 315.374 -2.316 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985406 776214766 /nfs/dbraw/zinc/21/47/66/776214766.db2.gz CAHCUMJZTRFZPX-STQMWFEESA-N 2 2 310.402 -1.182 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985406 776214772 /nfs/dbraw/zinc/21/47/72/776214772.db2.gz CAHCUMJZTRFZPX-STQMWFEESA-N 2 2 310.402 -1.182 20 0 DAADLP C/C(=C\C(=O)NC[C@]1(CO)COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000828697038 776215509 /nfs/dbraw/zinc/21/55/09/776215509.db2.gz DBXQUZTZICGFOM-NRUITVPNSA-N 2 2 313.398 -1.268 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052324 776236935 /nfs/dbraw/zinc/23/69/35/776236935.db2.gz HQYFWZAKRDTWPJ-TUAOUCFPSA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052324 776236945 /nfs/dbraw/zinc/23/69/45/776236945.db2.gz HQYFWZAKRDTWPJ-TUAOUCFPSA-N 2 2 323.401 -1.475 20 0 DAADLP C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)C[N@H+](CCO)CCO1 ZINC001108279685 776266717 /nfs/dbraw/zinc/26/67/17/776266717.db2.gz ICPPAQOOABHTSO-OAHLLOKOSA-N 2 2 315.414 -1.092 20 0 DAADLP C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)C[N@@H+](CCO)CCO1 ZINC001108279685 776266725 /nfs/dbraw/zinc/26/67/25/776266725.db2.gz ICPPAQOOABHTSO-OAHLLOKOSA-N 2 2 315.414 -1.092 20 0 DAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001169100685 776284821 /nfs/dbraw/zinc/28/48/21/776284821.db2.gz LHTURAVYAUMKGK-NCNPMAKBSA-N 2 2 302.371 -1.999 20 0 DAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001169100685 776284826 /nfs/dbraw/zinc/28/48/26/776284826.db2.gz LHTURAVYAUMKGK-NCNPMAKBSA-N 2 2 302.371 -1.999 20 0 DAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccnc1N1CC[NH2+]CC1 ZINC001169066791 776284865 /nfs/dbraw/zinc/28/48/65/776284865.db2.gz JNAVNWZSJBDPAO-LLVKDONJSA-N 3 2 303.370 -1.066 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229395 776286152 /nfs/dbraw/zinc/28/61/52/776286152.db2.gz YWMIBXVJLLSUED-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CCC1 ZINC001108552536 776303074 /nfs/dbraw/zinc/30/30/74/776303074.db2.gz OHBDCOMEKIGTOV-LBPRGKRZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC1 ZINC001108566998 776307333 /nfs/dbraw/zinc/30/73/33/776307333.db2.gz SLUYVCCGUSZVFL-LBPRGKRZSA-N 2 2 324.425 -1.278 20 0 DAADLP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387159 776334017 /nfs/dbraw/zinc/33/40/17/776334017.db2.gz SSUDGLDXLKVBMS-GFCCVEGCSA-N 2 2 320.401 -1.152 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090434120 776346188 /nfs/dbraw/zinc/34/61/88/776346188.db2.gz VIRVDQRQLGTNTA-RYUDHWBXSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090434120 776346194 /nfs/dbraw/zinc/34/61/94/776346194.db2.gz VIRVDQRQLGTNTA-RYUDHWBXSA-N 2 2 309.370 -1.511 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100135882 776347278 /nfs/dbraw/zinc/34/72/78/776347278.db2.gz DFIFZSROXNYRJX-STQMWFEESA-N 2 2 312.370 -1.557 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100135882 776347289 /nfs/dbraw/zinc/34/72/89/776347289.db2.gz DFIFZSROXNYRJX-STQMWFEESA-N 2 2 312.370 -1.557 20 0 DAADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007356 776388348 /nfs/dbraw/zinc/38/83/48/776388348.db2.gz PXGGFERAWCCLIT-MGPQQGTHSA-N 2 2 315.414 -1.143 20 0 DAADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007356 776388357 /nfs/dbraw/zinc/38/83/57/776388357.db2.gz PXGGFERAWCCLIT-MGPQQGTHSA-N 2 2 315.414 -1.143 20 0 DAADLP CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091097 776446879 /nfs/dbraw/zinc/44/68/79/776446879.db2.gz QJIWABLXGSUQKG-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091097 776446883 /nfs/dbraw/zinc/44/68/83/776446883.db2.gz QJIWABLXGSUQKG-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114091097 776446889 /nfs/dbraw/zinc/44/68/89/776446889.db2.gz QJIWABLXGSUQKG-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114091097 776446892 /nfs/dbraw/zinc/44/68/92/776446892.db2.gz QJIWABLXGSUQKG-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114090979 776446917 /nfs/dbraw/zinc/44/69/17/776446917.db2.gz NNQCPQQSPYDGBP-COMQUAJESA-N 2 2 324.425 -1.112 20 0 DAADLP CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114090979 776446919 /nfs/dbraw/zinc/44/69/19/776446919.db2.gz NNQCPQQSPYDGBP-COMQUAJESA-N 2 2 324.425 -1.112 20 0 DAADLP CC(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114090979 776446924 /nfs/dbraw/zinc/44/69/24/776446924.db2.gz NNQCPQQSPYDGBP-COMQUAJESA-N 2 2 324.425 -1.112 20 0 DAADLP CC(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114090979 776446927 /nfs/dbraw/zinc/44/69/27/776446927.db2.gz NNQCPQQSPYDGBP-COMQUAJESA-N 2 2 324.425 -1.112 20 0 DAADLP CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114090981 776446957 /nfs/dbraw/zinc/44/69/57/776446957.db2.gz NNQCPQQSPYDGBP-SFDCQRBFSA-N 2 2 324.425 -1.112 20 0 DAADLP CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114090981 776446960 /nfs/dbraw/zinc/44/69/60/776446960.db2.gz NNQCPQQSPYDGBP-SFDCQRBFSA-N 2 2 324.425 -1.112 20 0 DAADLP CC(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114090981 776446967 /nfs/dbraw/zinc/44/69/67/776446967.db2.gz NNQCPQQSPYDGBP-SFDCQRBFSA-N 2 2 324.425 -1.112 20 0 DAADLP CC(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114090981 776446970 /nfs/dbraw/zinc/44/69/70/776446970.db2.gz NNQCPQQSPYDGBP-SFDCQRBFSA-N 2 2 324.425 -1.112 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405174 776508673 /nfs/dbraw/zinc/50/86/73/776508673.db2.gz YRLXKYIENXAXSS-SECBINFHSA-N 2 2 308.342 -1.654 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403682 776508869 /nfs/dbraw/zinc/50/88/69/776508869.db2.gz AFGKMIMJOIXGAE-ZYHUDNBSSA-N 2 2 319.365 -1.044 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477164 776511146 /nfs/dbraw/zinc/51/11/46/776511146.db2.gz BXMFBCSOASZUEY-GHMZBOCLSA-N 2 2 319.365 -1.044 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)NC(N)=O ZINC001130487929 776512680 /nfs/dbraw/zinc/51/26/80/776512680.db2.gz LFKORDOSOHUQBU-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477897 776513262 /nfs/dbraw/zinc/51/32/62/776513262.db2.gz NNGAFCBYCGFKTI-JTQLQIEISA-N 2 2 322.369 -1.393 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)NC(N)=O ZINC001130484210 776513283 /nfs/dbraw/zinc/51/32/83/776513283.db2.gz HODZUTVPRKJNMN-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001157999476 776520745 /nfs/dbraw/zinc/52/07/45/776520745.db2.gz ROTYESJPOIQMAW-RISCZKNCSA-N 2 2 310.354 -1.142 20 0 DAADLP C[NH+](C)CCCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131378487 776567946 /nfs/dbraw/zinc/56/79/46/776567946.db2.gz BGYAGFDIELWRSU-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP C[NH+](C)CCCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131378487 776567951 /nfs/dbraw/zinc/56/79/51/776567951.db2.gz BGYAGFDIELWRSU-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614092 776576716 /nfs/dbraw/zinc/57/67/16/776576716.db2.gz YDVSNUJBOKPVIF-MJBXVCDLSA-N 2 2 315.414 -1.047 20 0 DAADLP O=C(NCC[NH2+]CCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613803 776576965 /nfs/dbraw/zinc/57/69/65/776576965.db2.gz OBDUVRJXUKVIHH-OLZOCXBDSA-N 2 2 301.387 -1.436 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639220 776578347 /nfs/dbraw/zinc/57/83/47/776578347.db2.gz CJOILFJXIGQNJF-UHFFFAOYSA-N 2 2 324.385 -1.096 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001131639923 776579506 /nfs/dbraw/zinc/57/95/06/776579506.db2.gz UBVTXUGPFRUCJG-UHFFFAOYSA-N 2 2 323.397 -1.083 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656741 776579786 /nfs/dbraw/zinc/57/97/86/776579786.db2.gz XCCZBYQDYPAIJN-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656740 776580687 /nfs/dbraw/zinc/58/06/87/776580687.db2.gz XCCZBYQDYPAIJN-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001133255475 776663916 /nfs/dbraw/zinc/66/39/16/776663916.db2.gz OVBMIVGUTBMXCN-KCJUWKMLSA-N 2 2 310.358 -1.964 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133254712 776663999 /nfs/dbraw/zinc/66/39/99/776663999.db2.gz GGZFRMMURQAQBO-LBPRGKRZSA-N 2 2 324.385 -1.749 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664527 776672988 /nfs/dbraw/zinc/67/29/88/776672988.db2.gz SREXCVNIKLGKQG-VIFPVBQESA-N 2 2 322.369 -1.009 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397725 776702882 /nfs/dbraw/zinc/70/28/82/776702882.db2.gz VJDHNCUCDGLGFG-UHFFFAOYSA-N 2 2 303.388 -1.403 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC[C@H]1CCCO1 ZINC001134407139 776703012 /nfs/dbraw/zinc/70/30/12/776703012.db2.gz STGRKKKAEDUKPC-GFCCVEGCSA-N 2 2 309.370 -1.047 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC1CCOCC1 ZINC001134407160 776703076 /nfs/dbraw/zinc/70/30/76/776703076.db2.gz UOHRNUZPFMIBJM-UHFFFAOYSA-N 2 2 309.370 -1.047 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498855 776710615 /nfs/dbraw/zinc/71/06/15/776710615.db2.gz PYCRSOBHAQJLHJ-JTQLQIEISA-N 2 2 310.358 -1.004 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135080341 776735680 /nfs/dbraw/zinc/73/56/80/776735680.db2.gz QTSKVBSRTOLLRN-SNVBAGLBSA-N 2 2 322.369 -1.154 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135080341 776735684 /nfs/dbraw/zinc/73/56/84/776735684.db2.gz QTSKVBSRTOLLRN-SNVBAGLBSA-N 2 2 322.369 -1.154 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)c1nnnn1C ZINC001135352783 776752646 /nfs/dbraw/zinc/75/26/46/776752646.db2.gz RRWRSAIWVYDHSY-LLVKDONJSA-N 2 2 311.390 -1.301 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)c1nnnn1C ZINC001135352784 776753011 /nfs/dbraw/zinc/75/30/11/776753011.db2.gz RRWRSAIWVYDHSY-NSHDSACASA-N 2 2 311.390 -1.301 20 0 DAADLP Cn1c(=O)cc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)n(C)c1=O ZINC001135766045 776769167 /nfs/dbraw/zinc/76/91/67/776769167.db2.gz HCULPKHMXMODRC-UHFFFAOYSA-N 2 2 320.353 -1.744 20 0 DAADLP CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135766470 776769401 /nfs/dbraw/zinc/76/94/01/776769401.db2.gz VFFLGQBQKHFNSX-UHFFFAOYSA-N 2 2 322.369 -1.012 20 0 DAADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573502 776791747 /nfs/dbraw/zinc/79/17/47/776791747.db2.gz MWSXLWLOGKHHFY-RYUDHWBXSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573502 776791750 /nfs/dbraw/zinc/79/17/50/776791750.db2.gz MWSXLWLOGKHHFY-RYUDHWBXSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573502 776791752 /nfs/dbraw/zinc/79/17/52/776791752.db2.gz MWSXLWLOGKHHFY-RYUDHWBXSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573502 776791756 /nfs/dbraw/zinc/79/17/56/776791756.db2.gz MWSXLWLOGKHHFY-RYUDHWBXSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C[C@H]2O)C1 ZINC001090573504 776792304 /nfs/dbraw/zinc/79/23/04/776792304.db2.gz MWSXLWLOGKHHFY-VXGBXAGGSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C[C@H]2O)C1 ZINC001090573504 776792310 /nfs/dbraw/zinc/79/23/10/776792310.db2.gz MWSXLWLOGKHHFY-VXGBXAGGSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090573504 776792318 /nfs/dbraw/zinc/79/23/18/776792318.db2.gz MWSXLWLOGKHHFY-VXGBXAGGSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090573504 776792326 /nfs/dbraw/zinc/79/23/26/776792326.db2.gz MWSXLWLOGKHHFY-VXGBXAGGSA-N 2 2 312.414 -1.245 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729879 776834270 /nfs/dbraw/zinc/83/42/70/776834270.db2.gz BOEHFQZYLIIBIA-RYUDHWBXSA-N 2 2 310.398 -1.620 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729879 776834278 /nfs/dbraw/zinc/83/42/78/776834278.db2.gz BOEHFQZYLIIBIA-RYUDHWBXSA-N 2 2 310.398 -1.620 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811598 776852730 /nfs/dbraw/zinc/85/27/30/776852730.db2.gz CLEQVGMZVWTNFL-STQMWFEESA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811598 776852740 /nfs/dbraw/zinc/85/27/40/776852740.db2.gz CLEQVGMZVWTNFL-STQMWFEESA-N 2 2 312.414 -1.278 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818638 776855482 /nfs/dbraw/zinc/85/54/82/776855482.db2.gz WOYSGWBSRIHAHZ-KGLIPLIRSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818638 776855489 /nfs/dbraw/zinc/85/54/89/776855489.db2.gz WOYSGWBSRIHAHZ-KGLIPLIRSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818639 776855573 /nfs/dbraw/zinc/85/55/73/776855573.db2.gz WOYSGWBSRIHAHZ-UONOGXRCSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818639 776855582 /nfs/dbraw/zinc/85/55/82/776855582.db2.gz WOYSGWBSRIHAHZ-UONOGXRCSA-N 2 2 322.413 -1.038 20 0 DAADLP CC(=O)N1CC[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001294658259 777986108 /nfs/dbraw/zinc/98/61/08/777986108.db2.gz CGRLQEWUYYKAQW-CQSZACIVSA-N 2 2 312.414 -1.013 20 0 DAADLP CC(=O)N1CC[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001294658259 777986117 /nfs/dbraw/zinc/98/61/17/777986117.db2.gz CGRLQEWUYYKAQW-CQSZACIVSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001149570964 779635098 /nfs/dbraw/zinc/63/50/98/779635098.db2.gz IQUAFGAXQOZBHJ-SECBINFHSA-N 2 2 310.358 -1.358 20 0 DAADLP CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150217957 779650391 /nfs/dbraw/zinc/65/03/91/779650391.db2.gz CLJOAZBBDKGKFK-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150217957 779650396 /nfs/dbraw/zinc/65/03/96/779650396.db2.gz CLJOAZBBDKGKFK-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1nncn1C ZINC001151152861 779673108 /nfs/dbraw/zinc/67/31/08/779673108.db2.gz WJIJBKMUWLJAGW-GFCCVEGCSA-N 2 2 310.402 -1.011 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001151156514 779673414 /nfs/dbraw/zinc/67/34/14/779673414.db2.gz FGMRAEATRJUPHM-LBPRGKRZSA-N 2 2 310.402 -1.011 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001151736895 779682723 /nfs/dbraw/zinc/68/27/23/779682723.db2.gz AKIQJKVOIYWSET-WDEREUQCSA-N 2 2 311.390 -1.302 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001151736895 779682726 /nfs/dbraw/zinc/68/27/26/779682726.db2.gz AKIQJKVOIYWSET-WDEREUQCSA-N 2 2 311.390 -1.302 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001151749200 779683191 /nfs/dbraw/zinc/68/31/91/779683191.db2.gz ROHLGAHMRRIUDZ-SNVBAGLBSA-N 2 2 312.374 -1.965 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001151749200 779683200 /nfs/dbraw/zinc/68/32/00/779683200.db2.gz ROHLGAHMRRIUDZ-SNVBAGLBSA-N 2 2 312.374 -1.965 20 0 DAADLP CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153500833 779704775 /nfs/dbraw/zinc/70/47/75/779704775.db2.gz VWZDLLTUEAPSBJ-UHFFFAOYSA-N 2 2 322.369 -1.081 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NC(=O)NC1CC1 ZINC001153487607 779705207 /nfs/dbraw/zinc/70/52/07/779705207.db2.gz IDWXUMFAKOMRIG-UHFFFAOYSA-N 2 2 308.342 -1.423 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001153500294 779705342 /nfs/dbraw/zinc/70/53/42/779705342.db2.gz IZNYZYZJMRUIKT-LLVKDONJSA-N 2 2 323.353 -1.901 20 0 DAADLP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)nc1=O ZINC001156144879 779740675 /nfs/dbraw/zinc/74/06/75/779740675.db2.gz GRAVIIUBTNNUDR-SNVBAGLBSA-N 2 2 312.374 -1.965 20 0 DAADLP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)nc1=O ZINC001156144879 779740682 /nfs/dbraw/zinc/74/06/82/779740682.db2.gz GRAVIIUBTNNUDR-SNVBAGLBSA-N 2 2 312.374 -1.965 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)N(C)C[C@H]1C[NH2+]CCO1)C[NH2+]C2 ZINC001157717147 779757277 /nfs/dbraw/zinc/75/72/77/779757277.db2.gz XCOORSHGDOODCX-GHMZBOCLSA-N 2 2 308.386 -1.068 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862213 779760784 /nfs/dbraw/zinc/76/07/84/779760784.db2.gz CDPCLVSQVXOKHJ-GFCCVEGCSA-N 2 2 323.397 -1.903 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157998499 779763772 /nfs/dbraw/zinc/76/37/72/779763772.db2.gz GMURXNNJURBTPD-NXEZZACHSA-N 2 2 315.374 -1.874 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1(C(=O)OCC)C[NH2+]C1 ZINC001157998854 779763845 /nfs/dbraw/zinc/76/38/45/779763845.db2.gz JEHNAFJPINLZAT-JTQLQIEISA-N 2 2 313.354 -1.497 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001157998932 779763894 /nfs/dbraw/zinc/76/38/94/779763894.db2.gz KVDXUNLWPXVBGV-GXSJLCMTSA-N 2 2 310.354 -2.172 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCC(=O)OC ZINC001157998985 779763964 /nfs/dbraw/zinc/76/39/64/779763964.db2.gz LRQUUVXWOUMRLM-ZJUUUORDSA-N 2 2 301.343 -1.370 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157998966 779764401 /nfs/dbraw/zinc/76/44/01/779764401.db2.gz LLZJHFMHTIZWIP-QWRGUYRKSA-N 2 2 312.370 -1.700 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCNC(N)=O ZINC001157998503 779764688 /nfs/dbraw/zinc/76/46/88/779764688.db2.gz GMURXNNJURBTPD-VHSXEESVSA-N 2 2 315.374 -1.874 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157999079 779764794 /nfs/dbraw/zinc/76/47/94/779764794.db2.gz NWJJNZQTLGQJQI-MNOVXSKESA-N 2 2 312.370 -2.320 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001157998809 779764818 /nfs/dbraw/zinc/76/48/18/779764818.db2.gz HVUQMXWGSWBUBF-VUPYVKPUSA-N 2 2 305.400 -1.554 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)COCCOCC[NH3+] ZINC001157998085 779764830 /nfs/dbraw/zinc/76/48/30/779764830.db2.gz DKBSKMHIHKHJCC-NSHDSACASA-N 2 2 303.359 -1.658 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110996 779767516 /nfs/dbraw/zinc/76/75/16/779767516.db2.gz IYVSDEJQBKJYFW-HNNXBMFYSA-N 2 2 321.381 -2.644 20 0 DAADLP CN1CC(=O)Nc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc21 ZINC001158206427 779771087 /nfs/dbraw/zinc/77/10/87/779771087.db2.gz NWVNYSACNKWLPH-MRVPVSSYSA-N 2 2 303.326 -1.087 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001158235442 779772974 /nfs/dbraw/zinc/77/29/74/779772974.db2.gz KITFUOVWQPWOEX-PKIAMQTDSA-N 2 2 309.366 -1.414 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533356 779777155 /nfs/dbraw/zinc/77/71/55/779777155.db2.gz KSDVHEXOMVZCGV-RRGRKSGHSA-N 3 2 306.410 -1.084 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)C1 ZINC001158967478 779781625 /nfs/dbraw/zinc/78/16/25/779781625.db2.gz ADIYIGDHZVXIJG-XQHKEYJVSA-N 2 2 318.381 -1.418 20 0 DAADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001158890250 779781985 /nfs/dbraw/zinc/78/19/85/779781985.db2.gz BWNBYKZTGGRQTA-OLZOCXBDSA-N 3 2 323.441 -1.121 20 0 DAADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001158890250 779781990 /nfs/dbraw/zinc/78/19/90/779781990.db2.gz BWNBYKZTGGRQTA-OLZOCXBDSA-N 3 2 323.441 -1.121 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537503 779793672 /nfs/dbraw/zinc/79/36/72/779793672.db2.gz XUUJAEBFMMFENQ-UHFFFAOYSA-N 2 2 310.358 -1.106 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537503 779793683 /nfs/dbraw/zinc/79/36/83/779793683.db2.gz XUUJAEBFMMFENQ-UHFFFAOYSA-N 2 2 310.358 -1.106 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537002 779794337 /nfs/dbraw/zinc/79/43/37/779794337.db2.gz FKKULARAFGXZNH-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537002 779794341 /nfs/dbraw/zinc/79/43/41/779794341.db2.gz FKKULARAFGXZNH-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)nc[nH+]1 ZINC001159681410 779795932 /nfs/dbraw/zinc/79/59/32/779795932.db2.gz OWOAYPXVVCTXIV-AXFHLTTASA-N 2 2 306.370 -1.077 20 0 DAADLP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CCO2 ZINC001160180438 779802695 /nfs/dbraw/zinc/80/26/95/779802695.db2.gz SVGZTDCWKDKDPY-KCQAQPDRSA-N 2 2 310.398 -1.227 20 0 DAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]([NH3+])C[NH2+]4)C[C@@H]3C2=O)cn1 ZINC001160216777 779802956 /nfs/dbraw/zinc/80/29/56/779802956.db2.gz HFJABHMRGPFFIJ-UKJIMTQDSA-N 2 2 318.381 -1.470 20 0 DAADLP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CCO2 ZINC001160180560 779803314 /nfs/dbraw/zinc/80/33/14/779803314.db2.gz VLKHQLMKNZGIJD-VNHYZAJKSA-N 2 2 310.398 -1.085 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160431771 779806548 /nfs/dbraw/zinc/80/65/48/779806548.db2.gz FGDLUQLFCMXAJJ-JQWIXIFHSA-N 2 2 302.400 -1.958 20 0 DAADLP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160492035 779807777 /nfs/dbraw/zinc/80/77/77/779807777.db2.gz CPVVSOATBHOJQD-IBCQBUCCSA-N 2 2 317.367 -1.708 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160485578 779808139 /nfs/dbraw/zinc/80/81/39/779808139.db2.gz XURXIOLOXUSLDV-STQMWFEESA-N 2 2 309.414 -1.700 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC001160505801 779809181 /nfs/dbraw/zinc/80/91/81/779809181.db2.gz GKKQLEYRQGRIJM-RWMBFGLXSA-N 2 2 310.398 -1.085 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C2)CC1=O ZINC001160636013 779813344 /nfs/dbraw/zinc/81/33/44/779813344.db2.gz OFMMPOLTKOFIMI-JMSVASOKSA-N 2 2 307.398 -1.807 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C2)CC1=O ZINC001160636040 779813403 /nfs/dbraw/zinc/81/34/03/779813403.db2.gz OKCTXNXZBYMFQN-XHDPSFHLSA-N 2 2 307.398 -2.077 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C2)CC1=O ZINC001160636028 779813581 /nfs/dbraw/zinc/81/35/81/779813581.db2.gz OKCTXNXZBYMFQN-ABAIWWIYSA-N 2 2 307.398 -2.077 20 0 DAADLP O=C(N1CCc2[nH]c(=O)[nH]c(=O)c2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160640556 779814099 /nfs/dbraw/zinc/81/40/99/779814099.db2.gz HKTZHZOLYIADGB-RMLUDKJBSA-N 2 2 305.338 -1.276 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160731164 779816316 /nfs/dbraw/zinc/81/63/16/779816316.db2.gz UMZKIJNPJSCRJK-JQWIXIFHSA-N 2 2 309.370 -1.129 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160694733 779816891 /nfs/dbraw/zinc/81/68/91/779816891.db2.gz ZBRNZQABPIFKAP-DCAQKATOSA-N 2 2 309.370 -1.060 20 0 DAADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C1CCS(=O)(=O)CC1 ZINC001160718848 779817400 /nfs/dbraw/zinc/81/74/00/779817400.db2.gz UPSPBJHUAQJGHM-ZMLRMANQSA-N 2 2 301.412 -1.028 20 0 DAADLP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811984 779819936 /nfs/dbraw/zinc/81/99/36/779819936.db2.gz CINYVCRTHSWYLM-OXJKWZBOSA-N 3 2 310.398 -1.323 20 0 DAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]1C2 ZINC001160797234 779820475 /nfs/dbraw/zinc/82/04/75/779820475.db2.gz LFXHEPPIESBBSQ-RQXQIDNZSA-N 3 2 322.409 -1.610 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCN1C ZINC001160871082 779821588 /nfs/dbraw/zinc/82/15/88/779821588.db2.gz QOPOCCVGRBROHE-RYUDHWBXSA-N 2 2 309.370 -1.395 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)O1 ZINC001160861962 779822089 /nfs/dbraw/zinc/82/20/89/779822089.db2.gz DERRVOOBDPRZLI-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)O1 ZINC001160861962 779822092 /nfs/dbraw/zinc/82/20/92/779822092.db2.gz DERRVOOBDPRZLI-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936795 779823121 /nfs/dbraw/zinc/82/31/21/779823121.db2.gz NHSBAFIFHKITOR-STQMWFEESA-N 2 2 303.366 -1.087 20 0 DAADLP O=C(N1CCN(c2ncc(O)cn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161082123 779824531 /nfs/dbraw/zinc/82/45/31/779824531.db2.gz LUPDAXGLWTVVOS-ABAIWWIYSA-N 2 2 318.381 -1.218 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]([NH3+])(C(=O)OC)C1 ZINC001161138462 779827429 /nfs/dbraw/zinc/82/74/29/779827429.db2.gz ATODSQKQXLCEOF-NURSFMCSSA-N 2 2 314.386 -1.421 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C1 ZINC001161139438 779827697 /nfs/dbraw/zinc/82/76/97/779827697.db2.gz UFPNLCLCNIWGBN-IINYFYTJSA-N 2 2 314.386 -1.421 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001161138226 779827712 /nfs/dbraw/zinc/82/77/12/779827712.db2.gz PXFSXYOJMSFWDI-NSHDSACASA-N 2 2 322.387 -2.691 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161138533 779827762 /nfs/dbraw/zinc/82/77/62/779827762.db2.gz UVBACQYDALKXQF-NHYWBVRUSA-N 3 2 310.398 -1.037 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)c2cnc3n2CC[NH2+]CC3)C1 ZINC001161139117 779827897 /nfs/dbraw/zinc/82/78/97/779827897.db2.gz LJPLOOQJDVCYCO-CQSZACIVSA-N 2 2 307.354 -1.255 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C1 ZINC001161138785 779828091 /nfs/dbraw/zinc/82/80/91/779828091.db2.gz ZDOWTQKAIAJZFQ-QPUJVOFHSA-N 2 2 301.347 -2.135 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161139641 779828160 /nfs/dbraw/zinc/82/81/60/779828160.db2.gz ZMDRLYSLVHATHE-RISCZKNCSA-N 3 2 313.402 -2.160 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)C1 ZINC001161139584 779828203 /nfs/dbraw/zinc/82/82/03/779828203.db2.gz YALWUUUIFYOTOQ-FZMZJTMJSA-N 2 2 314.386 -1.277 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001161137938 779828542 /nfs/dbraw/zinc/82/85/42/779828542.db2.gz IMFRLUFGTKFUDL-ZUZCIYMTSA-N 2 2 324.381 -1.795 20 0 DAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161237584 779830547 /nfs/dbraw/zinc/83/05/47/779830547.db2.gz MWCHLZSDDQWHAO-TYNCELHUSA-N 3 2 310.398 -1.499 20 0 DAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161237584 779830551 /nfs/dbraw/zinc/83/05/51/779830551.db2.gz MWCHLZSDDQWHAO-TYNCELHUSA-N 3 2 310.398 -1.499 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247238 779830905 /nfs/dbraw/zinc/83/09/05/779830905.db2.gz ACPZUHURFVWDEK-LLVKDONJSA-N 2 2 302.342 -1.187 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247239 779831611 /nfs/dbraw/zinc/83/16/11/779831611.db2.gz ACPZUHURFVWDEK-NSHDSACASA-N 2 2 302.342 -1.187 20 0 DAADLP O=C(N1CCN(c2ncncn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161247587 779832357 /nfs/dbraw/zinc/83/23/57/779832357.db2.gz JGHKINCULIDJBI-FZMZJTMJSA-N 2 2 303.370 -1.528 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314795 779833456 /nfs/dbraw/zinc/83/34/56/779833456.db2.gz KDHTUQIXLTYCNY-JTQLQIEISA-N 2 2 322.369 -1.264 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCN1C(C)=O ZINC001161295114 779833948 /nfs/dbraw/zinc/83/39/48/779833948.db2.gz GCPGMFHOTRVUPG-XUJVJEKNSA-N 2 2 324.381 -1.830 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161300267 779834077 /nfs/dbraw/zinc/83/40/77/779834077.db2.gz IMIQNOBITUSPCC-SNVBAGLBSA-N 2 2 322.369 -1.264 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001161479124 779838392 /nfs/dbraw/zinc/83/83/92/779838392.db2.gz OEZZSEQOHZLRTD-NHYWBVRUSA-N 2 2 324.381 -1.828 20 0 DAADLP COCCOC1CN(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001161572536 779843202 /nfs/dbraw/zinc/84/32/02/779843202.db2.gz RZPQYENVXKWRSV-CYBMUJFWSA-N 2 2 300.403 -1.389 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162437241 779853313 /nfs/dbraw/zinc/85/33/13/779853313.db2.gz SXIJTLAQRDAJNS-KKZNHRDASA-N 2 2 310.793 -1.727 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@H]2NCN[C@H]21 ZINC001162438394 779855243 /nfs/dbraw/zinc/85/52/43/779855243.db2.gz YCJGNNJOAGIFID-IQJOONFLSA-N 2 2 310.793 -1.727 20 0 DAADLP C[NH+]1CCN(c2cccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n2)CC1 ZINC001162439451 779855624 /nfs/dbraw/zinc/85/56/24/779855624.db2.gz LRXLNPVCQANTCM-QLFBSQMISA-N 2 2 318.429 -1.670 20 0 DAADLP C[NH+]1CCN(c2cccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n2)CC1 ZINC001162439433 779855798 /nfs/dbraw/zinc/85/57/98/779855798.db2.gz LRXLNPVCQANTCM-ILXRZTDVSA-N 2 2 318.429 -1.670 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001162628020 779861266 /nfs/dbraw/zinc/86/12/66/779861266.db2.gz QJGKBLSFUHOBCC-UHFFFAOYSA-N 2 2 307.358 -1.091 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163044398 779863991 /nfs/dbraw/zinc/86/39/91/779863991.db2.gz YJJXXAWZVWYNLU-UHFFFAOYSA-N 2 2 310.358 -1.357 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044025 779864768 /nfs/dbraw/zinc/86/47/68/779864768.db2.gz FMQSHOUKDOJMTJ-UHFFFAOYSA-N 2 2 324.385 -1.096 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593530 779869184 /nfs/dbraw/zinc/86/91/84/779869184.db2.gz JKSFYCRZBIBGLU-UHFFFAOYSA-N 2 2 317.415 -1.082 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594431 779869313 /nfs/dbraw/zinc/86/93/13/779869313.db2.gz YSBGULVYQVEDON-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001163594026 779869466 /nfs/dbraw/zinc/86/94/66/779869466.db2.gz RSWNQPYSVWTBDJ-UHFFFAOYSA-N 2 2 322.369 -1.079 20 0 DAADLP Cn1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC001164213639 779877109 /nfs/dbraw/zinc/87/71/09/779877109.db2.gz ZYOARUDEQAXZRH-UHFFFAOYSA-N 2 2 310.402 -1.083 20 0 DAADLP C[NH+]1CCN(c2nccc(N3CC[NH2+][C@@H](C(N)=O)C3)n2)CC1 ZINC001165072194 779881016 /nfs/dbraw/zinc/88/10/16/779881016.db2.gz NKLIPEACBZFZCP-LLVKDONJSA-N 2 2 305.386 -1.508 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001207698147 779924307 /nfs/dbraw/zinc/92/43/07/779924307.db2.gz UKYULLQBVPUCRX-GMTAPVOTSA-N 2 2 313.402 -1.042 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001207698147 779924302 /nfs/dbraw/zinc/92/43/02/779924302.db2.gz UKYULLQBVPUCRX-GMTAPVOTSA-N 2 2 313.402 -1.042 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857164 779985615 /nfs/dbraw/zinc/98/56/15/779985615.db2.gz GVONAZBSWHZEMF-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857164 779985618 /nfs/dbraw/zinc/98/56/18/779985618.db2.gz GVONAZBSWHZEMF-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857164 779985622 /nfs/dbraw/zinc/98/56/22/779985622.db2.gz GVONAZBSWHZEMF-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857164 779985625 /nfs/dbraw/zinc/98/56/25/779985625.db2.gz GVONAZBSWHZEMF-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215681000 780008977 /nfs/dbraw/zinc/00/89/77/780008977.db2.gz OWVLYRKSAFRJMK-PSASIEDQSA-N 2 2 308.342 -1.416 20 0 DAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)NC(N)=O ZINC001215685811 780009090 /nfs/dbraw/zinc/00/90/90/780009090.db2.gz VZMCJDIDRWCKOF-FXPVBKGRSA-N 2 2 322.369 -1.028 20 0 DAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)NC(N)=O ZINC001216064824 780012082 /nfs/dbraw/zinc/01/20/82/780012082.db2.gz HBFFANKNNDLKLP-OPRDCNLKSA-N 2 2 322.369 -1.028 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600006 780035041 /nfs/dbraw/zinc/03/50/41/780035041.db2.gz DXTOJYPEGRIPAF-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600006 780035046 /nfs/dbraw/zinc/03/50/46/780035046.db2.gz DXTOJYPEGRIPAF-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218703491 780039598 /nfs/dbraw/zinc/03/95/98/780039598.db2.gz DPIMPAZVXBDBSW-ZETCQYMHSA-N 2 2 324.345 -2.423 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218669880 780039715 /nfs/dbraw/zinc/03/97/15/780039715.db2.gz ZOOOOGPMLSQUPD-STQMWFEESA-N 2 2 309.370 -1.123 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068982 780045893 /nfs/dbraw/zinc/04/58/93/780045893.db2.gz SEOYLFMZUOPCIA-MELADBBJSA-N 2 2 324.381 -1.198 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068982 780045900 /nfs/dbraw/zinc/04/59/00/780045900.db2.gz SEOYLFMZUOPCIA-MELADBBJSA-N 2 2 324.381 -1.198 20 0 DAADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411500 780093178 /nfs/dbraw/zinc/09/31/78/780093178.db2.gz LLKOKQBNERTGOR-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411500 780093188 /nfs/dbraw/zinc/09/31/88/780093188.db2.gz LLKOKQBNERTGOR-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411500 780093197 /nfs/dbraw/zinc/09/31/97/780093197.db2.gz LLKOKQBNERTGOR-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411500 780093205 /nfs/dbraw/zinc/09/32/05/780093205.db2.gz LLKOKQBNERTGOR-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219414033 780095393 /nfs/dbraw/zinc/09/53/93/780095393.db2.gz PXFUXVWBBHMZEU-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219414033 780095397 /nfs/dbraw/zinc/09/53/97/780095397.db2.gz PXFUXVWBBHMZEU-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219414033 780095405 /nfs/dbraw/zinc/09/54/05/780095405.db2.gz PXFUXVWBBHMZEU-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219414033 780095408 /nfs/dbraw/zinc/09/54/08/780095408.db2.gz PXFUXVWBBHMZEU-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCC1=O ZINC001219678466 780134554 /nfs/dbraw/zinc/13/45/54/780134554.db2.gz PCPIGCGUSOPBSD-SNVBAGLBSA-N 2 2 318.399 -2.484 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001219695280 780136525 /nfs/dbraw/zinc/13/65/25/780136525.db2.gz TUQMACZIUGQIGS-SNVBAGLBSA-N 2 2 308.404 -2.347 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001219695280 780136528 /nfs/dbraw/zinc/13/65/28/780136528.db2.gz TUQMACZIUGQIGS-SNVBAGLBSA-N 2 2 308.404 -2.347 20 0 DAADLP C[N@@H+]1CCO[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001219695279 780136544 /nfs/dbraw/zinc/13/65/44/780136544.db2.gz TUQMACZIUGQIGS-JTQLQIEISA-N 2 2 308.404 -2.347 20 0 DAADLP C[N@H+]1CCO[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001219695279 780136547 /nfs/dbraw/zinc/13/65/47/780136547.db2.gz TUQMACZIUGQIGS-JTQLQIEISA-N 2 2 308.404 -2.347 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741901 780141180 /nfs/dbraw/zinc/14/11/80/780141180.db2.gz XLZYZUMZTDLNNL-UWVGGRQHSA-N 2 2 309.374 -1.513 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219746419 780141642 /nfs/dbraw/zinc/14/16/42/780141642.db2.gz IOTBTCMIJUQPHX-NSHDSACASA-N 3 2 318.385 -1.309 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741648 780141787 /nfs/dbraw/zinc/14/17/87/780141787.db2.gz PYSVSLLCVMMXPY-GFCCVEGCSA-N 2 2 310.398 -1.164 20 0 DAADLP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749408 780143174 /nfs/dbraw/zinc/14/31/74/780143174.db2.gz MODSXQILABQHEW-UHFFFAOYSA-N 3 2 307.402 -1.271 20 0 DAADLP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219750203 780143391 /nfs/dbraw/zinc/14/33/91/780143391.db2.gz XGVRGOXWXTWTKX-YGRLFVJLSA-N 3 2 305.386 -1.661 20 0 DAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765842 780145024 /nfs/dbraw/zinc/14/50/24/780145024.db2.gz FCWXPDXKHOIZQG-SNPRPXQTSA-N 3 2 324.473 -1.853 20 0 DAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765842 780145033 /nfs/dbraw/zinc/14/50/33/780145033.db2.gz FCWXPDXKHOIZQG-SNPRPXQTSA-N 3 2 324.473 -1.853 20 0 DAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765842 780145039 /nfs/dbraw/zinc/14/50/39/780145039.db2.gz FCWXPDXKHOIZQG-SNPRPXQTSA-N 3 2 324.473 -1.853 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798430 780148479 /nfs/dbraw/zinc/14/84/79/780148479.db2.gz MEFFGVVFHPYGCI-UTUOFQBUSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798430 780148485 /nfs/dbraw/zinc/14/84/85/780148485.db2.gz MEFFGVVFHPYGCI-UTUOFQBUSA-N 2 2 312.414 -1.104 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219798729 780148673 /nfs/dbraw/zinc/14/86/73/780148673.db2.gz RJMDANQGRJWPEB-UPJWGTAASA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219798729 780148675 /nfs/dbraw/zinc/14/86/75/780148675.db2.gz RJMDANQGRJWPEB-UPJWGTAASA-N 2 2 324.425 -1.137 20 0 DAADLP CC(=O)OC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806347 780149779 /nfs/dbraw/zinc/14/97/79/780149779.db2.gz SNOAEESTZZIJDA-NSHDSACASA-N 2 2 323.353 -1.757 20 0 DAADLP COC(=O)[C@H]1C[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001219813382 780151008 /nfs/dbraw/zinc/15/10/08/780151008.db2.gz RLPAFJOGDVMXSM-ZAZJYDDPSA-N 2 2 311.382 -1.120 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)NC[C@]13C[NH2+]C[C@H]1COC3)C[NH2+]C2 ZINC001219812727 780151102 /nfs/dbraw/zinc/15/11/02/780151102.db2.gz IBLVMLTVCYGWBA-PGUXBMHVSA-N 2 2 320.397 -1.163 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)NC[C@]13C[NH2+]C[C@H]1COC3)C[NH2+]C2 ZINC001219812728 780151692 /nfs/dbraw/zinc/15/16/92/780151692.db2.gz IBLVMLTVCYGWBA-RWSFTLGLSA-N 2 2 320.397 -1.163 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813742 780152189 /nfs/dbraw/zinc/15/21/89/780152189.db2.gz BRLFPWPBZBIBEN-RDBSUJKOSA-N 2 2 324.425 -1.089 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813742 780152190 /nfs/dbraw/zinc/15/21/90/780152190.db2.gz BRLFPWPBZBIBEN-RDBSUJKOSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813742 780152193 /nfs/dbraw/zinc/15/21/93/780152193.db2.gz BRLFPWPBZBIBEN-RDBSUJKOSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813742 780152194 /nfs/dbraw/zinc/15/21/94/780152194.db2.gz BRLFPWPBZBIBEN-RDBSUJKOSA-N 2 2 324.425 -1.089 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001219813379 780152265 /nfs/dbraw/zinc/15/22/65/780152265.db2.gz RLPAFJOGDVMXSM-ASHKBJFXSA-N 2 2 311.382 -1.120 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816043 780152290 /nfs/dbraw/zinc/15/22/90/780152290.db2.gz WHJNCDNHDJKAFO-MCIONIFRSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816043 780152295 /nfs/dbraw/zinc/15/22/95/780152295.db2.gz WHJNCDNHDJKAFO-MCIONIFRSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816043 780152301 /nfs/dbraw/zinc/15/23/01/780152301.db2.gz WHJNCDNHDJKAFO-MCIONIFRSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816043 780152306 /nfs/dbraw/zinc/15/23/06/780152306.db2.gz WHJNCDNHDJKAFO-MCIONIFRSA-N 2 2 324.425 -1.137 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O)C1CCC1 ZINC001219812105 780152529 /nfs/dbraw/zinc/15/25/29/780152529.db2.gz MNIGYLMUHBDGJE-KGLIPLIRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O)C1CCC1 ZINC001219812105 780152535 /nfs/dbraw/zinc/15/25/35/780152535.db2.gz MNIGYLMUHBDGJE-KGLIPLIRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CCC1 ZINC001219812105 780152544 /nfs/dbraw/zinc/15/25/44/780152544.db2.gz MNIGYLMUHBDGJE-KGLIPLIRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CCC1 ZINC001219812105 780152550 /nfs/dbraw/zinc/15/25/50/780152550.db2.gz MNIGYLMUHBDGJE-KGLIPLIRSA-N 2 2 324.425 -1.136 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833344 780153447 /nfs/dbraw/zinc/15/34/47/780153447.db2.gz CCQDRARTRBEHJU-LNSITVRQSA-N 3 2 323.397 -1.209 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)NC[C@H]1C[C@@H]3C[NH2+]C[C@@H]3O1)C[NH2+]C2 ZINC001219831794 780153501 /nfs/dbraw/zinc/15/35/01/780153501.db2.gz YOIRQXIIKVWYOT-DCQANWLSSA-N 2 2 320.397 -1.022 20 0 DAADLP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219834911 780153629 /nfs/dbraw/zinc/15/36/29/780153629.db2.gz UJZVOPBPQFGFFS-WZYWGQKZSA-N 3 2 324.425 -1.552 20 0 DAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001219845617 780156300 /nfs/dbraw/zinc/15/63/00/780156300.db2.gz OUOPTNPPRLZKRA-DYEKYZERSA-N 2 2 314.430 -1.178 20 0 DAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001219845617 780156306 /nfs/dbraw/zinc/15/63/06/780156306.db2.gz OUOPTNPPRLZKRA-DYEKYZERSA-N 2 2 314.430 -1.178 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)N[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)C[NH2+]C2 ZINC001219854497 780157629 /nfs/dbraw/zinc/15/76/29/780157629.db2.gz KHFLSNTVJOUVNS-LLHIFLOGSA-N 2 2 306.370 -1.412 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C[NH2+]1 ZINC001219965345 780167106 /nfs/dbraw/zinc/16/71/06/780167106.db2.gz KEBJVXOQGHLZNS-FOGDFJRCSA-N 2 2 307.354 -1.378 20 0 DAADLP CNS(=O)(=O)CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219961493 780168019 /nfs/dbraw/zinc/16/80/19/780168019.db2.gz MZPNTLHBQXTMBB-NSHDSACASA-N 2 2 300.384 -1.076 20 0 DAADLP CCOC(=O)c1nnc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)o1 ZINC001220011247 780170834 /nfs/dbraw/zinc/17/08/34/780170834.db2.gz TYJYDSVUBSKLER-ISVAXAHUSA-N 2 2 309.326 -1.186 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001220145393 780184567 /nfs/dbraw/zinc/18/45/67/780184567.db2.gz ASBMWIJJERRGKX-JTQLQIEISA-N 2 2 301.372 -1.950 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001220139798 780184977 /nfs/dbraw/zinc/18/49/77/780184977.db2.gz WTMGTRIVMBLTFE-LSJOCFKGSA-N 2 2 300.384 -1.018 20 0 DAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220197929 780189267 /nfs/dbraw/zinc/18/92/67/780189267.db2.gz WPSHKZRNAOVTNE-LBPRGKRZSA-N 2 2 310.398 -1.702 20 0 DAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220185886 780189348 /nfs/dbraw/zinc/18/93/48/780189348.db2.gz KGCOPSVELPQEFR-UWVGGRQHSA-N 2 2 304.341 -1.322 20 0 DAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197521 780189642 /nfs/dbraw/zinc/18/96/42/780189642.db2.gz ICLKQOVGIQEHRO-LBPRGKRZSA-N 2 2 310.398 -1.083 20 0 DAADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220186143 780189870 /nfs/dbraw/zinc/18/98/70/780189870.db2.gz MGECPDMVDHUTIF-SCZZXKLOSA-N 2 2 302.325 -1.175 20 0 DAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220197928 780190143 /nfs/dbraw/zinc/19/01/43/780190143.db2.gz WPSHKZRNAOVTNE-GFCCVEGCSA-N 2 2 310.398 -1.702 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232492 780192661 /nfs/dbraw/zinc/19/26/61/780192661.db2.gz YRUWKQRWDSSNEA-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232492 780192667 /nfs/dbraw/zinc/19/26/67/780192667.db2.gz YRUWKQRWDSSNEA-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220228866 780192895 /nfs/dbraw/zinc/19/28/95/780192895.db2.gz AZCPQFOGRVSDPT-UPJWGTAASA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220228866 780192899 /nfs/dbraw/zinc/19/28/99/780192899.db2.gz AZCPQFOGRVSDPT-UPJWGTAASA-N 2 2 324.425 -1.232 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273635 780198856 /nfs/dbraw/zinc/19/88/56/780198856.db2.gz PSYNYZOECDLGGC-UHTWSYAYSA-N 2 2 312.414 -1.234 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273635 780198860 /nfs/dbraw/zinc/19/88/60/780198860.db2.gz PSYNYZOECDLGGC-UHTWSYAYSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272011 780198874 /nfs/dbraw/zinc/19/88/74/780198874.db2.gz OSWMHGGDAIEWHO-NEPJUHHUSA-N 2 2 300.403 -1.376 20 0 DAADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272011 780198878 /nfs/dbraw/zinc/19/88/78/780198878.db2.gz OSWMHGGDAIEWHO-NEPJUHHUSA-N 2 2 300.403 -1.376 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273644 780199033 /nfs/dbraw/zinc/19/90/33/780199033.db2.gz QIBSMMRSAWFQCL-AEJSXWLSSA-N 2 2 315.374 -2.317 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273644 780199034 /nfs/dbraw/zinc/19/90/34/780199034.db2.gz QIBSMMRSAWFQCL-AEJSXWLSSA-N 2 2 315.374 -2.317 20 0 DAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220275513 780199081 /nfs/dbraw/zinc/19/90/81/780199081.db2.gz ZTZXJLSKKWXOQA-LLVKDONJSA-N 2 2 312.374 -1.079 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367280 780205873 /nfs/dbraw/zinc/20/58/73/780205873.db2.gz RBXPGOKFOQRFLU-TUAOUCFPSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367280 780205878 /nfs/dbraw/zinc/20/58/78/780205878.db2.gz RBXPGOKFOQRFLU-TUAOUCFPSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367280 780205886 /nfs/dbraw/zinc/20/58/86/780205886.db2.gz RBXPGOKFOQRFLU-TUAOUCFPSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367280 780205893 /nfs/dbraw/zinc/20/58/93/780205893.db2.gz RBXPGOKFOQRFLU-TUAOUCFPSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367281 780206639 /nfs/dbraw/zinc/20/66/39/780206639.db2.gz RBXPGOKFOQRFLU-UTUOFQBUSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367281 780206643 /nfs/dbraw/zinc/20/66/43/780206643.db2.gz RBXPGOKFOQRFLU-UTUOFQBUSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367281 780206647 /nfs/dbraw/zinc/20/66/47/780206647.db2.gz RBXPGOKFOQRFLU-UTUOFQBUSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367281 780206650 /nfs/dbraw/zinc/20/66/50/780206650.db2.gz RBXPGOKFOQRFLU-UTUOFQBUSA-N 2 2 314.430 -1.001 20 0 DAADLP COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OC(C)(C)C ZINC001220382038 780208596 /nfs/dbraw/zinc/20/85/96/780208596.db2.gz QFMUGLWRIUCURU-GUBZILKMSA-N 2 2 315.370 -1.077 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435160 780213499 /nfs/dbraw/zinc/21/34/99/780213499.db2.gz AQFFPIASJFUDIK-ONGXEEELSA-N 2 2 304.366 -1.639 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481996 780218084 /nfs/dbraw/zinc/21/80/84/780218084.db2.gz XWYOVHYCMIFTER-DCJFZGGZSA-N 2 2 303.359 -1.282 20 0 DAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)O1 ZINC001220481772 780218490 /nfs/dbraw/zinc/21/84/90/780218490.db2.gz QQPVEZQUTMZVSE-DMWPXEFISA-N 3 2 312.414 -1.223 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCOCCOCC[NH3+] ZINC001220519090 780221381 /nfs/dbraw/zinc/22/13/81/780221381.db2.gz AOMJMQPFPKXQNL-ZDUSSCGKSA-N 3 2 317.434 -2.155 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](C(=O)NCCOCCOCC[NH3+])CC[NH2+]1 ZINC001220519108 780221397 /nfs/dbraw/zinc/22/13/97/780221397.db2.gz BINDZWBGWOIEBA-RYUDHWBXSA-N 2 2 317.386 -1.364 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220578940 780230791 /nfs/dbraw/zinc/23/07/91/780230791.db2.gz YAJDGWHXBVCZHQ-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220578940 780230794 /nfs/dbraw/zinc/23/07/94/780230794.db2.gz YAJDGWHXBVCZHQ-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585078 780231691 /nfs/dbraw/zinc/23/16/91/780231691.db2.gz WETIRFGQHLYAIT-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585078 780231700 /nfs/dbraw/zinc/23/17/00/780231700.db2.gz WETIRFGQHLYAIT-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001220683139 780238836 /nfs/dbraw/zinc/23/88/36/780238836.db2.gz LLTBMOXPIYSPCD-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001220683139 780238845 /nfs/dbraw/zinc/23/88/45/780238845.db2.gz LLTBMOXPIYSPCD-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220683139 780238851 /nfs/dbraw/zinc/23/88/51/780238851.db2.gz LLTBMOXPIYSPCD-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220683139 780238858 /nfs/dbraw/zinc/23/88/58/780238858.db2.gz LLTBMOXPIYSPCD-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220724942 780243193 /nfs/dbraw/zinc/24/31/93/780243193.db2.gz JXYUSUXHMQBHHN-WDEREUQCSA-N 2 2 301.391 -1.401 20 0 DAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220724942 780243202 /nfs/dbraw/zinc/24/32/02/780243202.db2.gz JXYUSUXHMQBHHN-WDEREUQCSA-N 2 2 301.391 -1.401 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220757775 780245190 /nfs/dbraw/zinc/24/51/90/780245190.db2.gz WXPMHZSCKRIWDE-OLZOCXBDSA-N 2 2 312.370 -1.867 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220757775 780245197 /nfs/dbraw/zinc/24/51/97/780245197.db2.gz WXPMHZSCKRIWDE-OLZOCXBDSA-N 2 2 312.370 -1.867 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756909 780245989 /nfs/dbraw/zinc/24/59/89/780245989.db2.gz NSGJAKYJASIIBH-QWRGUYRKSA-N 2 2 304.416 -2.230 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220768424 780247346 /nfs/dbraw/zinc/24/73/46/780247346.db2.gz LEGLOEVYHQXPCH-UTUOFQBUSA-N 2 2 314.386 -2.386 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220768424 780247353 /nfs/dbraw/zinc/24/73/53/780247353.db2.gz LEGLOEVYHQXPCH-UTUOFQBUSA-N 2 2 314.386 -2.386 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220771863 780247540 /nfs/dbraw/zinc/24/75/40/780247540.db2.gz FGSTVHHPOQELRK-CHWSQXEVSA-N 3 2 323.397 -1.053 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220771704 780247626 /nfs/dbraw/zinc/24/76/26/780247626.db2.gz CHDGZFFGGKNMKN-BXUZGUMPSA-N 2 2 309.370 -1.299 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220772326 780247735 /nfs/dbraw/zinc/24/77/35/780247735.db2.gz NEOPRXHVUBCQCU-PWSUYJOCSA-N 2 2 310.354 -1.001 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220816925 780249036 /nfs/dbraw/zinc/24/90/36/780249036.db2.gz HPODXPFWOAHZKL-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220816925 780249043 /nfs/dbraw/zinc/24/90/43/780249043.db2.gz HPODXPFWOAHZKL-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220816925 780249047 /nfs/dbraw/zinc/24/90/47/780249047.db2.gz HPODXPFWOAHZKL-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220816925 780249053 /nfs/dbraw/zinc/24/90/53/780249053.db2.gz HPODXPFWOAHZKL-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220815178 780249082 /nfs/dbraw/zinc/24/90/82/780249082.db2.gz DACZTWFSSROROR-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220815178 780249092 /nfs/dbraw/zinc/24/90/92/780249092.db2.gz DACZTWFSSROROR-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220815178 780249100 /nfs/dbraw/zinc/24/91/00/780249100.db2.gz DACZTWFSSROROR-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220815178 780249105 /nfs/dbraw/zinc/24/91/05/780249105.db2.gz DACZTWFSSROROR-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CSCC[C@H](NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220839842 780250761 /nfs/dbraw/zinc/25/07/61/780250761.db2.gz DSJQIIDRSJRXSG-MNOVXSKESA-N 2 2 317.459 -1.540 20 0 DAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001220926565 780257845 /nfs/dbraw/zinc/25/78/45/780257845.db2.gz RLIQUQHFIHDAPD-MNOVXSKESA-N 2 2 304.416 -1.537 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C[NH2+]C2 ZINC001220937701 780262046 /nfs/dbraw/zinc/26/20/46/780262046.db2.gz XYDOLAIMPSKOIQ-QWRGUYRKSA-N 2 2 308.386 -1.021 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073205 780274136 /nfs/dbraw/zinc/27/41/36/780274136.db2.gz LADPHQAYKZZWCH-UPJWGTAASA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073205 780274147 /nfs/dbraw/zinc/27/41/47/780274147.db2.gz LADPHQAYKZZWCH-UPJWGTAASA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091441 780274540 /nfs/dbraw/zinc/27/45/40/780274540.db2.gz OLLIUTMIQSANNM-XQQFMLRXSA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091441 780274544 /nfs/dbraw/zinc/27/45/44/780274544.db2.gz OLLIUTMIQSANNM-XQQFMLRXSA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091441 780274547 /nfs/dbraw/zinc/27/45/47/780274547.db2.gz OLLIUTMIQSANNM-XQQFMLRXSA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091441 780274551 /nfs/dbraw/zinc/27/45/51/780274551.db2.gz OLLIUTMIQSANNM-XQQFMLRXSA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001221093644 780275122 /nfs/dbraw/zinc/27/51/22/780275122.db2.gz SFFMTLIJFPKEBG-AGIUHOORSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001221093644 780275109 /nfs/dbraw/zinc/27/51/09/780275109.db2.gz SFFMTLIJFPKEBG-AGIUHOORSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001221093644 780275132 /nfs/dbraw/zinc/27/51/32/780275132.db2.gz SFFMTLIJFPKEBG-AGIUHOORSA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001221093644 780275142 /nfs/dbraw/zinc/27/51/42/780275142.db2.gz SFFMTLIJFPKEBG-AGIUHOORSA-N 2 2 312.414 -1.234 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001221256779 780286327 /nfs/dbraw/zinc/28/63/27/780286327.db2.gz LUBFAYQPQWRKKJ-SDDRHHMPSA-N 2 2 310.354 -1.409 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C[NH2+]CCC[NH3+] ZINC001221256623 780286520 /nfs/dbraw/zinc/28/65/20/780286520.db2.gz FNHNFDPPGGLREX-LBPRGKRZSA-N 3 2 311.386 -1.051 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001221257133 780286534 /nfs/dbraw/zinc/28/65/34/780286534.db2.gz YZUPAJVVMLFDEG-SRVKXCTJSA-N 2 2 310.354 -1.267 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001221257042 780286787 /nfs/dbraw/zinc/28/67/87/780286787.db2.gz VUWHUIFDFHVCKC-SMDDNHRTSA-N 2 2 309.370 -1.299 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@@H]2NCN[C@H]21 ZINC001221265193 780287324 /nfs/dbraw/zinc/28/73/24/780287324.db2.gz HUCWNGHKNLOGMN-RQJABVFESA-N 2 2 302.382 -1.780 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)[C@@H]2NCN[C@H]21 ZINC001221265405 780287382 /nfs/dbraw/zinc/28/73/82/780287382.db2.gz LKNSNAJNEAGVNS-KBDSZGMXSA-N 2 2 322.335 -1.564 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@@H]2NCN[C@H]21 ZINC001221266194 780287502 /nfs/dbraw/zinc/28/75/02/780287502.db2.gz TYESCQFCMKQIRH-IXLVHKGHSA-N 2 2 311.390 -3.155 20 0 DAADLP [NH3+][C@H](Cc1ccccc1F)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265414 780288594 /nfs/dbraw/zinc/28/85/94/780288594.db2.gz LUPTXOKQNSQCNX-FDYHWXHSSA-N 2 2 308.361 -1.785 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337398 780292932 /nfs/dbraw/zinc/29/29/32/780292932.db2.gz PWDXBZJILZDHHG-SNVBAGLBSA-N 2 2 301.372 -1.569 20 0 DAADLP NC(=O)NC(=O)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658538 780327025 /nfs/dbraw/zinc/32/70/25/780327025.db2.gz GQGAPWCKXZZVPA-UHFFFAOYSA-N 2 2 322.369 -1.094 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001226723566 780335659 /nfs/dbraw/zinc/33/56/59/780335659.db2.gz VYGZJDLHONRJLQ-CQSZACIVSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001226723566 780335664 /nfs/dbraw/zinc/33/56/64/780335664.db2.gz VYGZJDLHONRJLQ-CQSZACIVSA-N 2 2 315.414 -1.094 20 0 DAADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)O1 ZINC001235051640 780414499 /nfs/dbraw/zinc/41/44/99/780414499.db2.gz KQKMUIGJBGNCES-COMQUAJESA-N 2 2 315.414 -1.503 20 0 DAADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)O1 ZINC001235051640 780414508 /nfs/dbraw/zinc/41/45/08/780414508.db2.gz KQKMUIGJBGNCES-COMQUAJESA-N 2 2 315.414 -1.503 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278211324 780436773 /nfs/dbraw/zinc/43/67/73/780436773.db2.gz FRIAJZNMIOXBKT-VHSXEESVSA-N 2 2 309.326 -2.245 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278211323 780437111 /nfs/dbraw/zinc/43/71/11/780437111.db2.gz FRIAJZNMIOXBKT-UWVGGRQHSA-N 2 2 309.326 -2.245 20 0 DAADLP CNC(=O)c1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238837149 780439332 /nfs/dbraw/zinc/43/93/32/780439332.db2.gz AZUXUVOEVACSAP-UHFFFAOYSA-N 2 2 300.384 -1.127 20 0 DAADLP COC(=O)c1cncc(S(=O)(=O)NCC[NH2+]CC[NH3+])c1 ZINC001238839391 780439883 /nfs/dbraw/zinc/43/98/83/780439883.db2.gz RBWCILQIRVUTSQ-UHFFFAOYSA-N 2 2 302.356 -1.305 20 0 DAADLP COC(=O)C[C@H]1C[NH2+]CCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC001239095251 780442222 /nfs/dbraw/zinc/44/22/22/780442222.db2.gz UCZCQSOPFQLSGW-JTQLQIEISA-N 2 2 305.400 -1.095 20 0 DAADLP CCOC(=O)CNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438455 780445224 /nfs/dbraw/zinc/44/52/24/780445224.db2.gz MBMFLFLVSPIDEV-UHFFFAOYSA-N 2 2 317.459 -1.492 20 0 DAADLP S=C(NCCC[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCN1 ZINC001239399412 780445364 /nfs/dbraw/zinc/44/53/64/780445364.db2.gz JDXMCWAKLQDBTB-LBPRGKRZSA-N 2 2 301.460 -1.266 20 0 DAADLP O[C@H](C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246025440 780447600 /nfs/dbraw/zinc/44/76/00/780447600.db2.gz REFGIZYWAVIHTG-KKUMJFAQSA-N 3 2 312.458 -1.122 20 0 DAADLP O[C@H](C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246025440 780447606 /nfs/dbraw/zinc/44/76/06/780447606.db2.gz REFGIZYWAVIHTG-KKUMJFAQSA-N 3 2 312.458 -1.122 20 0 DAADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246101475 780449154 /nfs/dbraw/zinc/44/91/54/780449154.db2.gz PUEIOJKXONGLQT-QWRGUYRKSA-N 2 2 320.415 -2.286 20 0 DAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246303575 780452057 /nfs/dbraw/zinc/45/20/57/780452057.db2.gz HAJWWXCLZCNTLG-GHMZBOCLSA-N 2 2 314.386 -1.488 20 0 DAADLP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)C[NH2+]1)N1CCSC1 ZINC001246240336 780452312 /nfs/dbraw/zinc/45/23/12/780452312.db2.gz VGAVWNAUVDJIBT-QNWHQSFQSA-N 3 2 314.455 -1.190 20 0 DAADLP Cc1cn(CC(=O)NCC[NH2+][C@H]2CCC[NH2+]C2)c(=O)[nH]c1=O ZINC001246306520 780452398 /nfs/dbraw/zinc/45/23/98/780452398.db2.gz WRKCWMCWZQAIMC-NSHDSACASA-N 2 2 309.370 -1.285 20 0 DAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001246303870 780452808 /nfs/dbraw/zinc/45/28/08/780452808.db2.gz JFEVTPXHMTWFOF-UHFFFAOYSA-N 2 2 300.359 -1.877 20 0 DAADLP COC(=O)[C@@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246264272 780453263 /nfs/dbraw/zinc/45/32/63/780453263.db2.gz IECCSCWIRAINEY-UTLUCORTSA-N 2 2 302.400 -1.660 20 0 DAADLP C[C@H]1CC[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C[NH2+]1 ZINC001246522387 780454248 /nfs/dbraw/zinc/45/42/48/780454248.db2.gz CIIPMTKXBIPVLC-DQDHUVNJSA-N 2 2 304.387 -1.439 20 0 DAADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CN1 ZINC001246632175 780454946 /nfs/dbraw/zinc/45/49/46/780454946.db2.gz ZYHOQYWSFDQQTN-RYUDHWBXSA-N 2 2 310.398 -1.166 20 0 DAADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CN1 ZINC001246632175 780454954 /nfs/dbraw/zinc/45/49/54/780454954.db2.gz ZYHOQYWSFDQQTN-RYUDHWBXSA-N 2 2 310.398 -1.166 20 0 DAADLP C[C@H]1CC[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C[NH2+]1 ZINC001246522399 780455875 /nfs/dbraw/zinc/45/58/75/780455875.db2.gz CIIPMTKXBIPVLC-QCXNTBKTSA-N 2 2 304.387 -1.439 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801112 780467306 /nfs/dbraw/zinc/46/73/06/780467306.db2.gz FNZVDFHSUZUIDH-LLVKDONJSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801112 780467311 /nfs/dbraw/zinc/46/73/11/780467311.db2.gz FNZVDFHSUZUIDH-LLVKDONJSA-N 2 2 323.397 -1.177 20 0 DAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC001256199670 780508222 /nfs/dbraw/zinc/50/82/22/780508222.db2.gz GNNHLBPGSNLFEB-UHFFFAOYSA-N 2 2 314.386 -1.534 20 0 DAADLP Cn1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC001262079294 780567064 /nfs/dbraw/zinc/56/70/64/780567064.db2.gz NRBHMFLCPGWVJJ-UHFFFAOYSA-N 2 2 311.390 -1.247 20 0 DAADLP Cn1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC001262079294 780567067 /nfs/dbraw/zinc/56/70/67/780567067.db2.gz NRBHMFLCPGWVJJ-UHFFFAOYSA-N 2 2 311.390 -1.247 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263150642 780576565 /nfs/dbraw/zinc/57/65/65/780576565.db2.gz HPGCQYKBCODYPQ-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOCCO ZINC001264694641 780588052 /nfs/dbraw/zinc/58/80/52/780588052.db2.gz IHFPLRHRAPXEKS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOCCO ZINC001264694641 780588057 /nfs/dbraw/zinc/58/80/57/780588057.db2.gz IHFPLRHRAPXEKS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOCCO ZINC001264694641 780588062 /nfs/dbraw/zinc/58/80/62/780588062.db2.gz IHFPLRHRAPXEKS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOCCO ZINC001264694641 780588068 /nfs/dbraw/zinc/58/80/68/780588068.db2.gz IHFPLRHRAPXEKS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983898 780615842 /nfs/dbraw/zinc/61/58/42/780615842.db2.gz GITNKDVNWKXMMM-SNVBAGLBSA-N 2 2 310.358 -1.095 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983898 780615845 /nfs/dbraw/zinc/61/58/45/780615845.db2.gz GITNKDVNWKXMMM-SNVBAGLBSA-N 2 2 310.358 -1.095 20 0 DAADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282192117 780702654 /nfs/dbraw/zinc/70/26/54/780702654.db2.gz KHQKXKYBHSDQFL-UWVGGRQHSA-N 2 2 317.415 -1.016 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001284447149 780817511 /nfs/dbraw/zinc/81/75/11/780817511.db2.gz RDMZEBMRDFNHKT-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001284877212 780842368 /nfs/dbraw/zinc/84/23/68/780842368.db2.gz YUCPXECXWWSXRN-NSHDSACASA-N 2 2 309.370 -1.095 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238938 781388405 /nfs/dbraw/zinc/38/84/05/781388405.db2.gz TVJCVVBBTONYTC-UHFFFAOYSA-N 2 2 310.358 -1.486 20 0 DAADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001144942982 781404750 /nfs/dbraw/zinc/40/47/50/781404750.db2.gz DKZQPCHZPUVBKK-CRWXNKLISA-N 2 2 320.397 -1.916 20 0 DAADLP Cn1c[nH+]cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263060 781408212 /nfs/dbraw/zinc/40/82/12/781408212.db2.gz MBIIBCFLWTYKGO-FAQVLOEFSA-N 2 2 322.325 -1.868 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001149122723 781415757 /nfs/dbraw/zinc/41/57/57/781415757.db2.gz AFIXWULWPXEAEA-UHFFFAOYSA-N 2 2 317.415 -1.142 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001149123553 781433839 /nfs/dbraw/zinc/43/38/39/781433839.db2.gz LSYMIQNKNHGQJM-UHFFFAOYSA-N 2 2 309.370 -1.175 20 0 DAADLP CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298869 781437258 /nfs/dbraw/zinc/43/72/58/781437258.db2.gz YBKPSPRXQDMPIU-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298869 781437264 /nfs/dbraw/zinc/43/72/64/781437264.db2.gz YBKPSPRXQDMPIU-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298869 781437270 /nfs/dbraw/zinc/43/72/70/781437270.db2.gz YBKPSPRXQDMPIU-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298869 781437274 /nfs/dbraw/zinc/43/72/74/781437274.db2.gz YBKPSPRXQDMPIU-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124494 781445570 /nfs/dbraw/zinc/44/55/70/781445570.db2.gz SIRZTEJVCVSHLT-GFCCVEGCSA-N 2 2 314.386 -1.010 20 0 DAADLP COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871836 781458929 /nfs/dbraw/zinc/45/89/29/781458929.db2.gz OFFXXPSNFFHEPJ-CYBMUJFWSA-N 2 2 314.386 -1.308 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)COCC[NH+](C)C)nc1=O ZINC001147841292 781459640 /nfs/dbraw/zinc/45/96/40/781459640.db2.gz DEEGJBNLOXIZDZ-UHFFFAOYSA-N 2 2 300.363 -2.108 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001147871859 781459686 /nfs/dbraw/zinc/45/96/86/781459686.db2.gz PIBZKYGZBJZFPB-UHFFFAOYSA-N 2 2 309.370 -1.473 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713841 781553167 /nfs/dbraw/zinc/55/31/67/781553167.db2.gz JVOITRADMBXGNL-JSGCOSHPSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713841 781553172 /nfs/dbraw/zinc/55/31/72/781553172.db2.gz JVOITRADMBXGNL-JSGCOSHPSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751911 781567586 /nfs/dbraw/zinc/56/75/86/781567586.db2.gz ZECFIMHZTHWAHF-TZMCWYRMSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751911 781567591 /nfs/dbraw/zinc/56/75/91/781567591.db2.gz ZECFIMHZTHWAHF-TZMCWYRMSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC1 ZINC001094778664 781575492 /nfs/dbraw/zinc/57/54/92/781575492.db2.gz HPQXLLJREMPJED-ZDUSSCGKSA-N 2 2 324.425 -1.278 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094816693 781582391 /nfs/dbraw/zinc/58/23/91/781582391.db2.gz FJFGRVNGKPYDNE-CYBMUJFWSA-N 2 2 324.425 -1.134 20 0 DAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001176381388 781617245 /nfs/dbraw/zinc/61/72/45/781617245.db2.gz WUODXRBCFJWKKJ-LLVKDONJSA-N 2 2 303.326 -1.068 20 0 DAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001176381388 781617253 /nfs/dbraw/zinc/61/72/53/781617253.db2.gz WUODXRBCFJWKKJ-LLVKDONJSA-N 2 2 303.326 -1.068 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001176635291 781620468 /nfs/dbraw/zinc/62/04/68/781620468.db2.gz AGACXAOCGUQJJX-NSHDSACASA-N 2 2 311.390 -1.473 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001176635291 781620472 /nfs/dbraw/zinc/62/04/72/781620472.db2.gz AGACXAOCGUQJJX-NSHDSACASA-N 2 2 311.390 -1.473 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001176635290 781621108 /nfs/dbraw/zinc/62/11/08/781621108.db2.gz AGACXAOCGUQJJX-LLVKDONJSA-N 2 2 311.390 -1.473 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001176635290 781621112 /nfs/dbraw/zinc/62/11/12/781621112.db2.gz AGACXAOCGUQJJX-LLVKDONJSA-N 2 2 311.390 -1.473 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001176636457 781622006 /nfs/dbraw/zinc/62/20/06/781622006.db2.gz PFRNFKOUCKNKLQ-LLVKDONJSA-N 2 2 311.390 -1.473 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001176636457 781622008 /nfs/dbraw/zinc/62/20/08/781622008.db2.gz PFRNFKOUCKNKLQ-LLVKDONJSA-N 2 2 311.390 -1.473 20 0 DAADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676985 781622624 /nfs/dbraw/zinc/62/26/24/781622624.db2.gz ZYTJRPNHOKFGDZ-CQSZACIVSA-N 2 2 312.414 -1.061 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179608538 781661923 /nfs/dbraw/zinc/66/19/23/781661923.db2.gz NSPQCZTXIQEBIB-ONGXEEELSA-N 2 2 322.369 -1.013 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001179783436 781663609 /nfs/dbraw/zinc/66/36/09/781663609.db2.gz OYVMIUHRLWFOIA-IUCAKERBSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001180280029 781669490 /nfs/dbraw/zinc/66/94/90/781669490.db2.gz PRPIUUCKZHPTOR-UWVGGRQHSA-N 2 2 308.342 -1.343 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001181821903 781694521 /nfs/dbraw/zinc/69/45/21/781694521.db2.gz JQTHCZRAHHLHGU-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001181821903 781694526 /nfs/dbraw/zinc/69/45/26/781694526.db2.gz JQTHCZRAHHLHGU-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001181822673 781694653 /nfs/dbraw/zinc/69/46/53/781694653.db2.gz SZXRXXMRKSLXHU-VXGBXAGGSA-N 2 2 319.427 -1.448 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001181822673 781694656 /nfs/dbraw/zinc/69/46/56/781694656.db2.gz SZXRXXMRKSLXHU-VXGBXAGGSA-N 2 2 319.427 -1.448 20 0 DAADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924529 781769247 /nfs/dbraw/zinc/76/92/47/781769247.db2.gz BNYMWLMUUMFLEV-SNVBAGLBSA-N 2 2 315.399 -1.308 20 0 DAADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001186116694 781774186 /nfs/dbraw/zinc/77/41/86/781774186.db2.gz LEHIMDRXSWDKSN-VGDYDELISA-N 2 2 312.374 -3.000 20 0 DAADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001186116694 781774188 /nfs/dbraw/zinc/77/41/88/781774188.db2.gz LEHIMDRXSWDKSN-VGDYDELISA-N 2 2 312.374 -3.000 20 0 DAADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001186116695 781774301 /nfs/dbraw/zinc/77/43/01/781774301.db2.gz LEHIMDRXSWDKSN-ZDDJMSTPSA-N 2 2 312.374 -3.000 20 0 DAADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001186116695 781774305 /nfs/dbraw/zinc/77/43/05/781774305.db2.gz LEHIMDRXSWDKSN-ZDDJMSTPSA-N 2 2 312.374 -3.000 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091712 781796087 /nfs/dbraw/zinc/79/60/87/781796087.db2.gz LUJJRKOHKCQUFI-SNVBAGLBSA-N 2 2 322.369 -1.391 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187092217 781796176 /nfs/dbraw/zinc/79/61/76/781796176.db2.gz RKLFGFMTIGIWLW-SECBINFHSA-N 2 2 308.342 -1.652 20 0 DAADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001188376988 781818163 /nfs/dbraw/zinc/81/81/63/781818163.db2.gz SPWZSVBWDOEMIW-NXEZZACHSA-N 2 2 308.342 -1.343 20 0 DAADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814471 781851711 /nfs/dbraw/zinc/85/17/11/781851711.db2.gz GTUZQMMPJDGYHR-ZIAGYGMSSA-N 2 2 315.414 -1.190 20 0 DAADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001376952605 921751938 /nfs/dbraw/zinc/75/19/38/921751938.db2.gz FHWATJFEZBKUMV-GHMZBOCLSA-N 2 2 322.369 -1.095 20 0 DAADLP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001377182746 921779153 /nfs/dbraw/zinc/77/91/53/921779153.db2.gz YTERCSSGBPNNGJ-OAHLLOKOSA-N 2 2 323.397 -1.038 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001377265495 921794374 /nfs/dbraw/zinc/79/43/74/921794374.db2.gz JVRLFKQVTVGXGU-QWRGUYRKSA-N 2 2 322.369 -1.225 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001377265498 921796378 /nfs/dbraw/zinc/79/63/78/921796378.db2.gz JVRLFKQVTVGXGU-WDEREUQCSA-N 2 2 322.369 -1.225 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001377289577 921799235 /nfs/dbraw/zinc/79/92/35/921799235.db2.gz TYFGNEZYSKGUEJ-GZMMTYOYSA-N 2 2 322.369 -1.108 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304876 916153465 /nfs/dbraw/zinc/15/34/65/916153465.db2.gz OQQAEYZQCKZQEW-QJPTWQEYSA-N 2 2 323.397 -1.192 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304876 916153477 /nfs/dbraw/zinc/15/34/77/916153477.db2.gz OQQAEYZQCKZQEW-QJPTWQEYSA-N 2 2 323.397 -1.192 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304876 916153488 /nfs/dbraw/zinc/15/34/88/916153488.db2.gz OQQAEYZQCKZQEW-QJPTWQEYSA-N 2 2 323.397 -1.192 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304876 916153497 /nfs/dbraw/zinc/15/34/97/916153497.db2.gz OQQAEYZQCKZQEW-QJPTWQEYSA-N 2 2 323.397 -1.192 20 0 DAADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCN1C(=O)CNC1=O ZINC001317252564 916278645 /nfs/dbraw/zinc/27/86/45/916278645.db2.gz GIYAPBFKUPCUPR-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319439992 916435387 /nfs/dbraw/zinc/43/53/87/916435387.db2.gz QYSOQOXABLHFSC-NEPJUHHUSA-N 2 2 321.443 -1.202 20 0 DAADLP C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319439992 916435395 /nfs/dbraw/zinc/43/53/95/916435395.db2.gz QYSOQOXABLHFSC-NEPJUHHUSA-N 2 2 321.443 -1.202 20 0 DAADLP NC(=O)[C@H]1C[NH+](CCCC[N@H+]2CCO[C@@H](C(N)=O)C2)CCO1 ZINC001319829675 916453127 /nfs/dbraw/zinc/45/31/27/916453127.db2.gz BLISOVFVKJFYPZ-VXGBXAGGSA-N 2 2 314.386 -1.861 20 0 DAADLP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320703747 916525090 /nfs/dbraw/zinc/52/50/90/916525090.db2.gz RUZOHYRKQMTBTC-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001323299084 916710707 /nfs/dbraw/zinc/71/07/07/916710707.db2.gz SAXRRISQJNWZKH-OLZOCXBDSA-N 2 2 322.413 -1.250 20 0 DAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323299084 916710718 /nfs/dbraw/zinc/71/07/18/916710718.db2.gz SAXRRISQJNWZKH-OLZOCXBDSA-N 2 2 322.413 -1.250 20 0 DAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001323299086 916711127 /nfs/dbraw/zinc/71/11/27/916711127.db2.gz SAXRRISQJNWZKH-QWHCGFSZSA-N 2 2 322.413 -1.250 20 0 DAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323299086 916711143 /nfs/dbraw/zinc/71/11/43/916711143.db2.gz SAXRRISQJNWZKH-QWHCGFSZSA-N 2 2 322.413 -1.250 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001323623880 916735877 /nfs/dbraw/zinc/73/58/77/916735877.db2.gz HFWYMVGAJSXMBT-UHFFFAOYSA-N 2 2 320.353 -1.327 20 0 DAADLP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001325989387 916881698 /nfs/dbraw/zinc/88/16/98/916881698.db2.gz MCNQXCIIGDBNFI-LLVKDONJSA-N 2 2 311.390 -1.785 20 0 DAADLP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001325989387 916881712 /nfs/dbraw/zinc/88/17/12/916881712.db2.gz MCNQXCIIGDBNFI-LLVKDONJSA-N 2 2 311.390 -1.785 20 0 DAADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC001328400603 917085014 /nfs/dbraw/zinc/08/50/14/917085014.db2.gz IXUXKZIJYMMRLM-GJZGRUSLSA-N 3 2 300.447 -1.359 20 0 DAADLP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC001328768543 917108706 /nfs/dbraw/zinc/10/87/06/917108706.db2.gz MFGDNACJYQSLKR-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001329213639 917151588 /nfs/dbraw/zinc/15/15/88/917151588.db2.gz YZAAFGJWHYGWCJ-QWHCGFSZSA-N 2 2 321.381 -1.644 20 0 DAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001329213639 917151600 /nfs/dbraw/zinc/15/16/00/917151600.db2.gz YZAAFGJWHYGWCJ-QWHCGFSZSA-N 2 2 321.381 -1.644 20 0 DAADLP CN(C1CCOCC1)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC001332335298 917363319 /nfs/dbraw/zinc/36/33/19/917363319.db2.gz TVIQHVJOJPVACX-UHFFFAOYSA-N 2 2 306.432 -1.163 20 0 DAADLP Cn1cnc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC001333340499 917435206 /nfs/dbraw/zinc/43/52/06/917435206.db2.gz NVGCKSDFEFPDCQ-UHFFFAOYSA-N 2 2 311.390 -1.247 20 0 DAADLP Cn1cnc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC001333340499 917435213 /nfs/dbraw/zinc/43/52/13/917435213.db2.gz NVGCKSDFEFPDCQ-UHFFFAOYSA-N 2 2 311.390 -1.247 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001341321163 917754709 /nfs/dbraw/zinc/75/47/09/917754709.db2.gz STEQZVZRYWFVFE-AWEZNQCLSA-N 2 2 314.430 -1.303 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793462 918407696 /nfs/dbraw/zinc/40/76/96/918407696.db2.gz JBZAIHHVCUERMU-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793462 918407703 /nfs/dbraw/zinc/40/77/03/918407703.db2.gz JBZAIHHVCUERMU-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793462 918407710 /nfs/dbraw/zinc/40/77/10/918407710.db2.gz JBZAIHHVCUERMU-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793462 918407716 /nfs/dbraw/zinc/40/77/16/918407716.db2.gz JBZAIHHVCUERMU-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1=O ZINC001363199666 918720343 /nfs/dbraw/zinc/72/03/43/918720343.db2.gz XXIMPZHLWUZLHM-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1=O ZINC001363199666 918720353 /nfs/dbraw/zinc/72/03/53/918720353.db2.gz XXIMPZHLWUZLHM-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001363579296 918833909 /nfs/dbraw/zinc/83/39/09/918833909.db2.gz RNPPWBANAJYWSI-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001363579296 918833914 /nfs/dbraw/zinc/83/39/14/918833914.db2.gz RNPPWBANAJYWSI-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCN(CCNS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001364048403 918938237 /nfs/dbraw/zinc/93/82/37/918938237.db2.gz HFCZPABLEAXIBN-UHFFFAOYSA-N 2 2 305.448 -1.684 20 0 DAADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCC[NH+](C)C ZINC001365461327 919188873 /nfs/dbraw/zinc/18/88/73/919188873.db2.gz XZZMQQJJUDHZTA-NSHDSACASA-N 2 2 317.415 -1.062 20 0 DAADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)CCC[NH+](C)C ZINC001365461327 919188886 /nfs/dbraw/zinc/18/88/86/919188886.db2.gz XZZMQQJJUDHZTA-NSHDSACASA-N 2 2 317.415 -1.062 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001365821563 919238749 /nfs/dbraw/zinc/23/87/49/919238749.db2.gz JZSKZXPOALEWAO-AOOOYVTPSA-N 2 2 322.369 -1.108 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365821085 919240956 /nfs/dbraw/zinc/24/09/56/919240956.db2.gz AUKUOSKKLCYAHY-AOOOYVTPSA-N 2 2 322.369 -1.358 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366354896 919318088 /nfs/dbraw/zinc/31/80/88/919318088.db2.gz AYECHTGPHZOENL-SECBINFHSA-N 2 2 307.358 -1.092 20 0 DAADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001366384972 919321293 /nfs/dbraw/zinc/32/12/93/919321293.db2.gz IOVDOPWPCFJXTH-IUCAKERBSA-N 2 2 308.342 -1.274 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001366380736 919321702 /nfs/dbraw/zinc/32/17/02/919321702.db2.gz JQTHCZRAHHLHGU-QWHCGFSZSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001366380736 919321715 /nfs/dbraw/zinc/32/17/15/919321715.db2.gz JQTHCZRAHHLHGU-QWHCGFSZSA-N 2 2 310.398 -1.214 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366384722 919322478 /nfs/dbraw/zinc/32/24/78/919322478.db2.gz DFRNASAKCCZASG-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001366586905 919352359 /nfs/dbraw/zinc/35/23/59/919352359.db2.gz LKDOJQDLWUIGTG-UHFFFAOYSA-N 2 2 317.415 -1.211 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001366586905 919352373 /nfs/dbraw/zinc/35/23/73/919352373.db2.gz LKDOJQDLWUIGTG-UHFFFAOYSA-N 2 2 317.415 -1.211 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366983161 919413465 /nfs/dbraw/zinc/41/34/65/919413465.db2.gz SVKRVZABQLTZPF-UHFFFAOYSA-N 2 2 323.397 -1.414 20 0 DAADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001366972987 919415196 /nfs/dbraw/zinc/41/51/96/919415196.db2.gz AKYKDPOYMSNHDW-NSHDSACASA-N 2 2 313.402 -1.170 20 0 DAADLP CCNC(=O)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366985351 919415691 /nfs/dbraw/zinc/41/56/91/919415691.db2.gz UONWZLKWVLAEAY-UHFFFAOYSA-N 2 2 312.414 -1.107 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001367024300 919426247 /nfs/dbraw/zinc/42/62/47/919426247.db2.gz NRWNGQOXDYYGFM-SNVBAGLBSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001367024300 919426254 /nfs/dbraw/zinc/42/62/54/919426254.db2.gz NRWNGQOXDYYGFM-SNVBAGLBSA-N 2 2 311.386 -1.144 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001367287080 919448667 /nfs/dbraw/zinc/44/86/67/919448667.db2.gz JVGSQUZOKYTBRH-ZJUUUORDSA-N 2 2 310.358 -1.192 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367525741 919472117 /nfs/dbraw/zinc/47/21/17/919472117.db2.gz SHINRDRMHSHTMZ-UHFFFAOYSA-N 2 2 310.358 -1.223 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367525741 919472130 /nfs/dbraw/zinc/47/21/30/919472130.db2.gz SHINRDRMHSHTMZ-UHFFFAOYSA-N 2 2 310.358 -1.223 20 0 DAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592583 919505148 /nfs/dbraw/zinc/50/51/48/919505148.db2.gz RNKZDLAJUXTYST-SKDRFNHKSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592583 919505159 /nfs/dbraw/zinc/50/51/59/919505159.db2.gz RNKZDLAJUXTYST-SKDRFNHKSA-N 2 2 324.385 -1.658 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001367613071 919528290 /nfs/dbraw/zinc/52/82/90/919528290.db2.gz OYNWUHQPMIBVKT-RYUDHWBXSA-N 2 2 319.369 -1.202 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001367626009 919540418 /nfs/dbraw/zinc/54/04/18/919540418.db2.gz PPQBTEWSSGHEEW-GFCCVEGCSA-N 2 2 323.401 -1.330 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001367626011 919541271 /nfs/dbraw/zinc/54/12/71/919541271.db2.gz PPQBTEWSSGHEEW-LBPRGKRZSA-N 2 2 323.401 -1.330 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367730150 919561256 /nfs/dbraw/zinc/56/12/56/919561256.db2.gz RIQBPQOPNVBJMO-RYUDHWBXSA-N 2 2 300.403 -1.064 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367730150 919561273 /nfs/dbraw/zinc/56/12/73/919561273.db2.gz RIQBPQOPNVBJMO-RYUDHWBXSA-N 2 2 300.403 -1.064 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368274788 919655430 /nfs/dbraw/zinc/65/54/30/919655430.db2.gz UAUCADMOXBZZOT-RISCZKNCSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368274788 919655446 /nfs/dbraw/zinc/65/54/46/919655446.db2.gz UAUCADMOXBZZOT-RISCZKNCSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368304160 919681610 /nfs/dbraw/zinc/68/16/10/919681610.db2.gz AAFQZZUMMCMLAS-GFCCVEGCSA-N 2 2 315.414 -1.502 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001368491456 919727418 /nfs/dbraw/zinc/72/74/18/919727418.db2.gz XVFDTDVHKMOIDQ-UHFFFAOYSA-N 2 2 322.369 -1.214 20 0 DAADLP O=C(C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)NC1CC1 ZINC001368516798 919734862 /nfs/dbraw/zinc/73/48/62/919734862.db2.gz QJKPZJJIWSKAOY-CYBMUJFWSA-N 2 2 321.381 -1.021 20 0 DAADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660491 919757886 /nfs/dbraw/zinc/75/78/86/919757886.db2.gz IZVCYSRNZLDGAZ-GXSJLCMTSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660491 919757900 /nfs/dbraw/zinc/75/79/00/919757900.db2.gz IZVCYSRNZLDGAZ-GXSJLCMTSA-N 2 2 322.369 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001368887624 919784875 /nfs/dbraw/zinc/78/48/75/919784875.db2.gz LTMXGEHWOVAWKK-DTWKUNHWSA-N 2 2 310.358 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001368887625 919785380 /nfs/dbraw/zinc/78/53/80/919785380.db2.gz LTMXGEHWOVAWKK-IUCAKERBSA-N 2 2 310.358 -1.109 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323772 919856553 /nfs/dbraw/zinc/85/65/53/919856553.db2.gz VEVMRPVJBNXVRK-STQMWFEESA-N 2 2 312.414 -1.327 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323772 919856560 /nfs/dbraw/zinc/85/65/60/919856560.db2.gz VEVMRPVJBNXVRK-STQMWFEESA-N 2 2 312.414 -1.327 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369323073 919856720 /nfs/dbraw/zinc/85/67/20/919856720.db2.gz TWTJMEPJVZQNHQ-ZJUUUORDSA-N 2 2 315.374 -2.397 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369323073 919856732 /nfs/dbraw/zinc/85/67/32/919856732.db2.gz TWTJMEPJVZQNHQ-ZJUUUORDSA-N 2 2 315.374 -2.397 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323763 919857948 /nfs/dbraw/zinc/85/79/48/919857948.db2.gz VEVMRPVJBNXVRK-CHWSQXEVSA-N 2 2 312.414 -1.327 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323763 919857959 /nfs/dbraw/zinc/85/79/59/919857959.db2.gz VEVMRPVJBNXVRK-CHWSQXEVSA-N 2 2 312.414 -1.327 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001369352666 919890519 /nfs/dbraw/zinc/89/05/19/919890519.db2.gz LPYLQUSSVLRHDP-QWHCGFSZSA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001369352666 919890532 /nfs/dbraw/zinc/89/05/32/919890532.db2.gz LPYLQUSSVLRHDP-QWHCGFSZSA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001369355779 919896192 /nfs/dbraw/zinc/89/61/92/919896192.db2.gz SFPICMCMPHOZNM-DTWKUNHWSA-N 2 2 301.347 -2.658 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001369355779 919896199 /nfs/dbraw/zinc/89/61/99/919896199.db2.gz SFPICMCMPHOZNM-DTWKUNHWSA-N 2 2 301.347 -2.658 20 0 DAADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)cc1=O ZINC001369363292 919899613 /nfs/dbraw/zinc/89/96/13/919899613.db2.gz PBSQUQSIMLHKRV-LBPRGKRZSA-N 2 2 319.365 -1.082 20 0 DAADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)cc1=O ZINC001369363291 919899680 /nfs/dbraw/zinc/89/96/80/919899680.db2.gz PBSQUQSIMLHKRV-GFCCVEGCSA-N 2 2 319.365 -1.082 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001369368837 919904159 /nfs/dbraw/zinc/90/41/59/919904159.db2.gz YSVQYTNVGGGIKT-RYUDHWBXSA-N 2 2 323.397 -1.433 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001369368835 919904535 /nfs/dbraw/zinc/90/45/35/919904535.db2.gz YSVQYTNVGGGIKT-NWDGAFQWSA-N 2 2 323.397 -1.433 20 0 DAADLP CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001369371041 919906309 /nfs/dbraw/zinc/90/63/09/919906309.db2.gz FODQWSOYDMLLRV-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001369380951 919915804 /nfs/dbraw/zinc/91/58/04/919915804.db2.gz WTNZSVZHGRDOGC-VXGBXAGGSA-N 2 2 323.397 -1.052 20 0 DAADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001369406953 919923062 /nfs/dbraw/zinc/92/30/62/919923062.db2.gz SDJRDDGSMDFMBD-DTWKUNHWSA-N 2 2 308.342 -1.274 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369472214 919948149 /nfs/dbraw/zinc/94/81/49/919948149.db2.gz NKGJOQNDXWCKTD-LBPRGKRZSA-N 2 2 311.386 -1.161 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369476606 919954575 /nfs/dbraw/zinc/95/45/75/919954575.db2.gz BDDZIZYSGHMYSF-JQWIXIFHSA-N 2 2 311.386 -1.494 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001369486322 919960390 /nfs/dbraw/zinc/96/03/90/919960390.db2.gz SLWSPMNVWUSGAN-MNOVXSKESA-N 2 2 311.386 -1.162 20 0 DAADLP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1cc[nH+]c1 ZINC001369489737 919962889 /nfs/dbraw/zinc/96/28/89/919962889.db2.gz MQTGQFDWLXZHLX-LLVKDONJSA-N 2 2 307.358 -1.379 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001369491174 919965312 /nfs/dbraw/zinc/96/53/12/919965312.db2.gz OQUURIOXKQWWAE-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369505006 919970678 /nfs/dbraw/zinc/97/06/78/919970678.db2.gz PMLJPAUGWQTOIS-RYUDHWBXSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369505006 919970693 /nfs/dbraw/zinc/97/06/93/919970693.db2.gz PMLJPAUGWQTOIS-RYUDHWBXSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369505006 919970699 /nfs/dbraw/zinc/97/06/99/919970699.db2.gz PMLJPAUGWQTOIS-RYUDHWBXSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369505006 919970713 /nfs/dbraw/zinc/97/07/13/919970713.db2.gz PMLJPAUGWQTOIS-RYUDHWBXSA-N 2 2 300.403 -1.293 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001369887385 920007268 /nfs/dbraw/zinc/00/72/68/920007268.db2.gz JTDMHPLPCIZJEG-KBPBESRZSA-N 2 2 323.441 -1.297 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001369887385 920007284 /nfs/dbraw/zinc/00/72/84/920007284.db2.gz JTDMHPLPCIZJEG-KBPBESRZSA-N 2 2 323.441 -1.297 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001369921526 920014696 /nfs/dbraw/zinc/01/46/96/920014696.db2.gz YEBAQIZVUSTFNY-CHWSQXEVSA-N 2 2 311.430 -1.312 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001369921526 920014712 /nfs/dbraw/zinc/01/47/12/920014712.db2.gz YEBAQIZVUSTFNY-CHWSQXEVSA-N 2 2 311.430 -1.312 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001369935276 920017189 /nfs/dbraw/zinc/01/71/89/920017189.db2.gz DPSFYOOCGABLCZ-CYBMUJFWSA-N 2 2 313.446 -1.066 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001369935276 920017206 /nfs/dbraw/zinc/01/72/06/920017206.db2.gz DPSFYOOCGABLCZ-CYBMUJFWSA-N 2 2 313.446 -1.066 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC001370006190 920030610 /nfs/dbraw/zinc/03/06/10/920030610.db2.gz PGLXMPJSEPQEHP-NWDGAFQWSA-N 2 2 318.443 -1.180 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC001370006190 920030628 /nfs/dbraw/zinc/03/06/28/920030628.db2.gz PGLXMPJSEPQEHP-NWDGAFQWSA-N 2 2 318.443 -1.180 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001370006190 920030644 /nfs/dbraw/zinc/03/06/44/920030644.db2.gz PGLXMPJSEPQEHP-NWDGAFQWSA-N 2 2 318.443 -1.180 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001370006190 920030660 /nfs/dbraw/zinc/03/06/60/920030660.db2.gz PGLXMPJSEPQEHP-NWDGAFQWSA-N 2 2 318.443 -1.180 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001370016950 920032285 /nfs/dbraw/zinc/03/22/85/920032285.db2.gz NDQCHXTWHLQZBU-NSHDSACASA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001370016950 920032300 /nfs/dbraw/zinc/03/23/00/920032300.db2.gz NDQCHXTWHLQZBU-NSHDSACASA-N 2 2 311.386 -1.286 20 0 DAADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(=O)NC(N)=O ZINC001370406756 920055822 /nfs/dbraw/zinc/05/58/22/920055822.db2.gz XNWGTTWDOPVTSK-UWVGGRQHSA-N 2 2 322.369 -1.264 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724923 920141738 /nfs/dbraw/zinc/14/17/38/920141738.db2.gz NAPHPUDKTUPKAH-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724923 920141750 /nfs/dbraw/zinc/14/17/50/920141750.db2.gz NAPHPUDKTUPKAH-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)C[NH+]1CCCC1 ZINC001371009124 920215879 /nfs/dbraw/zinc/21/58/79/920215879.db2.gz JREJVOMBNHRJKR-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371146647 920233344 /nfs/dbraw/zinc/23/33/44/920233344.db2.gz VVEBPCXIQJWSNO-ZJUUUORDSA-N 2 2 312.374 -1.967 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371146647 920233358 /nfs/dbraw/zinc/23/33/58/920233358.db2.gz VVEBPCXIQJWSNO-ZJUUUORDSA-N 2 2 312.374 -1.967 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371146644 920234718 /nfs/dbraw/zinc/23/47/18/920234718.db2.gz VVEBPCXIQJWSNO-NXEZZACHSA-N 2 2 312.374 -1.967 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371146644 920234734 /nfs/dbraw/zinc/23/47/34/920234734.db2.gz VVEBPCXIQJWSNO-NXEZZACHSA-N 2 2 312.374 -1.967 20 0 DAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCOCC1 ZINC001371388220 920251485 /nfs/dbraw/zinc/25/14/85/920251485.db2.gz HXYWYAFPEBEIPQ-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O)[NH+](C)C ZINC001371462853 920261524 /nfs/dbraw/zinc/26/15/24/920261524.db2.gz SNKCGAKYQTVWAU-IJLUTSLNSA-N 2 2 323.397 -1.020 20 0 DAADLP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001371470186 920267179 /nfs/dbraw/zinc/26/71/79/920267179.db2.gz VFPZCFNKKQKIBO-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001371490648 920267904 /nfs/dbraw/zinc/26/79/04/920267904.db2.gz SJNIOBBAUSEJMQ-JTQLQIEISA-N 2 2 310.358 -1.048 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001371519995 920272761 /nfs/dbraw/zinc/27/27/61/920272761.db2.gz JSYMVOUAHHAUNG-JTQLQIEISA-N 2 2 308.342 -1.341 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001371844419 920303801 /nfs/dbraw/zinc/30/38/01/920303801.db2.gz KSHBMHGAVSIYMF-NWDGAFQWSA-N 2 2 323.397 -1.018 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC(=O)NC(N)=O)C1CC1 ZINC001372846126 920422216 /nfs/dbraw/zinc/42/22/16/920422216.db2.gz XBERNCAEWPGUPO-LLVKDONJSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC(=O)NC(N)=O)C1CC1 ZINC001372846126 920422224 /nfs/dbraw/zinc/42/22/24/920422224.db2.gz XBERNCAEWPGUPO-LLVKDONJSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372846126 920422232 /nfs/dbraw/zinc/42/22/32/920422232.db2.gz XBERNCAEWPGUPO-LLVKDONJSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372846126 920422238 /nfs/dbraw/zinc/42/22/38/920422238.db2.gz XBERNCAEWPGUPO-LLVKDONJSA-N 2 2 311.386 -1.144 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373596525 920531872 /nfs/dbraw/zinc/53/18/72/920531872.db2.gz QTZJCDDDWMQASU-JTQLQIEISA-N 2 2 308.342 -1.423 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373596525 920531919 /nfs/dbraw/zinc/53/19/19/920531919.db2.gz QTZJCDDDWMQASU-JTQLQIEISA-N 2 2 308.342 -1.423 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001373627679 920539159 /nfs/dbraw/zinc/53/91/59/920539159.db2.gz LINXOQFCWLRHNY-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001373627679 920539170 /nfs/dbraw/zinc/53/91/70/920539170.db2.gz LINXOQFCWLRHNY-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001373627679 920539185 /nfs/dbraw/zinc/53/91/85/920539185.db2.gz LINXOQFCWLRHNY-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001373627679 920539198 /nfs/dbraw/zinc/53/91/98/920539198.db2.gz LINXOQFCWLRHNY-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373677854 920549036 /nfs/dbraw/zinc/54/90/36/920549036.db2.gz LFMCJZRVTSSEQM-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373677854 920549053 /nfs/dbraw/zinc/54/90/53/920549053.db2.gz LFMCJZRVTSSEQM-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373677849 920549111 /nfs/dbraw/zinc/54/91/11/920549111.db2.gz LFMCJZRVTSSEQM-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373677849 920549125 /nfs/dbraw/zinc/54/91/25/920549125.db2.gz LFMCJZRVTSSEQM-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995690 920572902 /nfs/dbraw/zinc/57/29/02/920572902.db2.gz FYCRPKYKYZWSKX-QWRGUYRKSA-N 2 2 311.390 -1.617 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995690 920572918 /nfs/dbraw/zinc/57/29/18/920572918.db2.gz FYCRPKYKYZWSKX-QWRGUYRKSA-N 2 2 311.390 -1.617 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146826 920589674 /nfs/dbraw/zinc/58/96/74/920589674.db2.gz SFIRYXFDVUKUHO-STQMWFEESA-N 2 2 303.403 -1.238 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146826 920589688 /nfs/dbraw/zinc/58/96/88/920589688.db2.gz SFIRYXFDVUKUHO-STQMWFEESA-N 2 2 303.403 -1.238 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146824 920590335 /nfs/dbraw/zinc/59/03/35/920590335.db2.gz SFIRYXFDVUKUHO-OLZOCXBDSA-N 2 2 303.403 -1.238 20 0 DAADLP COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146824 920590347 /nfs/dbraw/zinc/59/03/47/920590347.db2.gz SFIRYXFDVUKUHO-OLZOCXBDSA-N 2 2 303.403 -1.238 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001374655489 920676135 /nfs/dbraw/zinc/67/61/35/920676135.db2.gz JWJYEQUPLUIHQA-ZDUSSCGKSA-N 2 2 312.370 -1.036 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001374682447 920689742 /nfs/dbraw/zinc/68/97/42/920689742.db2.gz XEQKPQVRTVDOGL-ZYHUDNBSSA-N 2 2 311.386 -1.446 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374684002 920689993 /nfs/dbraw/zinc/68/99/93/920689993.db2.gz KTHAXWSQGPQVCE-GFCCVEGCSA-N 2 2 307.358 -1.413 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001374682441 920691361 /nfs/dbraw/zinc/69/13/61/920691361.db2.gz XEQKPQVRTVDOGL-PWSUYJOCSA-N 2 2 311.386 -1.446 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001374682431 920691597 /nfs/dbraw/zinc/69/15/97/920691597.db2.gz XEQKPQVRTVDOGL-CMPLNLGQSA-N 2 2 311.386 -1.446 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375112321 920746342 /nfs/dbraw/zinc/74/63/42/920746342.db2.gz NHFRBUHPLHFSGS-VIFPVBQESA-N 2 2 310.358 -1.177 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375112321 920746350 /nfs/dbraw/zinc/74/63/50/920746350.db2.gz NHFRBUHPLHFSGS-VIFPVBQESA-N 2 2 310.358 -1.177 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001375223664 920755664 /nfs/dbraw/zinc/75/56/64/920755664.db2.gz WHCLEQXRUDFDIO-CHWSQXEVSA-N 2 2 312.414 -1.110 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001375223664 920755677 /nfs/dbraw/zinc/75/56/77/920755677.db2.gz WHCLEQXRUDFDIO-CHWSQXEVSA-N 2 2 312.414 -1.110 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001375461333 920777633 /nfs/dbraw/zinc/77/76/33/920777633.db2.gz XSKCBAXOQQMSFS-UHFFFAOYSA-N 2 2 308.342 -1.294 20 0 DAADLP CC[C@H](C(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001376072030 920843521 /nfs/dbraw/zinc/84/35/21/920843521.db2.gz LHVVTOUOQNDEGE-CHWSQXEVSA-N 2 2 313.446 -1.066 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376075473 920844753 /nfs/dbraw/zinc/84/47/53/920844753.db2.gz COOJQXHFIUILCD-OCCSQVGLSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376075473 920844761 /nfs/dbraw/zinc/84/47/61/920844761.db2.gz COOJQXHFIUILCD-OCCSQVGLSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001376095584 920853369 /nfs/dbraw/zinc/85/33/69/920853369.db2.gz MJYWUOULEKFZII-INIZCTEOSA-N 2 2 324.425 -1.133 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001376095584 920853384 /nfs/dbraw/zinc/85/33/84/920853384.db2.gz MJYWUOULEKFZII-INIZCTEOSA-N 2 2 324.425 -1.133 20 0 DAADLP C[NH+](C)CCC(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001376093621 920853620 /nfs/dbraw/zinc/85/36/20/920853620.db2.gz BILCQMSCCJBKLJ-ZDUSSCGKSA-N 2 2 311.430 -1.440 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001376101293 920856899 /nfs/dbraw/zinc/85/68/99/920856899.db2.gz CFAAEFOOINZEEX-STQMWFEESA-N 2 2 311.430 -1.454 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001376101293 920856915 /nfs/dbraw/zinc/85/69/15/920856915.db2.gz CFAAEFOOINZEEX-STQMWFEESA-N 2 2 311.430 -1.454 20 0 DAADLP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376277147 920912419 /nfs/dbraw/zinc/91/24/19/920912419.db2.gz RCLARUYFNQADTE-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376277147 920912434 /nfs/dbraw/zinc/91/24/34/920912434.db2.gz RCLARUYFNQADTE-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376277147 920912447 /nfs/dbraw/zinc/91/24/47/920912447.db2.gz RCLARUYFNQADTE-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376277147 920912459 /nfs/dbraw/zinc/91/24/59/920912459.db2.gz RCLARUYFNQADTE-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376277148 920913342 /nfs/dbraw/zinc/91/33/42/920913342.db2.gz RCLARUYFNQADTE-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376277148 920913358 /nfs/dbraw/zinc/91/33/58/920913358.db2.gz RCLARUYFNQADTE-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376277148 920913367 /nfs/dbraw/zinc/91/33/67/920913367.db2.gz RCLARUYFNQADTE-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376277148 920913380 /nfs/dbraw/zinc/91/33/80/920913380.db2.gz RCLARUYFNQADTE-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376339271 920921733 /nfs/dbraw/zinc/92/17/33/920921733.db2.gz GKCBBELSCIDQRR-VHSXEESVSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376339267 920923016 /nfs/dbraw/zinc/92/30/16/920923016.db2.gz GKCBBELSCIDQRR-UWVGGRQHSA-N 2 2 322.369 -1.026 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376497603 920956822 /nfs/dbraw/zinc/95/68/22/920956822.db2.gz JECDMKPDHSDNJZ-WFASDCNBSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376497603 920956845 /nfs/dbraw/zinc/95/68/45/920956845.db2.gz JECDMKPDHSDNJZ-WFASDCNBSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376497603 920956862 /nfs/dbraw/zinc/95/68/62/920956862.db2.gz JECDMKPDHSDNJZ-WFASDCNBSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376497603 920956876 /nfs/dbraw/zinc/95/68/76/920956876.db2.gz JECDMKPDHSDNJZ-WFASDCNBSA-N 2 2 312.414 -1.373 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505638 920959795 /nfs/dbraw/zinc/95/97/95/920959795.db2.gz WZTNVDQVTOVQTA-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505638 920959803 /nfs/dbraw/zinc/95/98/03/920959803.db2.gz WZTNVDQVTOVQTA-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001376505638 920959812 /nfs/dbraw/zinc/95/98/12/920959812.db2.gz WZTNVDQVTOVQTA-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505638 920959818 /nfs/dbraw/zinc/95/98/18/920959818.db2.gz WZTNVDQVTOVQTA-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376522911 920967205 /nfs/dbraw/zinc/96/72/05/920967205.db2.gz WDUGJSMWKZUAPE-AOOOYVTPSA-N 2 2 308.342 -1.425 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376551907 920977837 /nfs/dbraw/zinc/97/78/37/920977837.db2.gz SQSDXBZGIHKMDJ-WCQYABFASA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001376551907 920977853 /nfs/dbraw/zinc/97/78/53/920977853.db2.gz SQSDXBZGIHKMDJ-WCQYABFASA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001376551905 920980245 /nfs/dbraw/zinc/98/02/45/920980245.db2.gz SQSDXBZGIHKMDJ-AAEUAGOBSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001376551905 920980260 /nfs/dbraw/zinc/98/02/60/920980260.db2.gz SQSDXBZGIHKMDJ-AAEUAGOBSA-N 2 2 323.397 -1.052 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001376633371 920996517 /nfs/dbraw/zinc/99/65/17/920996517.db2.gz YFZZAJZNZQVPJQ-CYBMUJFWSA-N 2 2 323.397 -1.348 20 0 DAADLP C[N@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001376642881 921002870 /nfs/dbraw/zinc/00/28/70/921002870.db2.gz PFLGKFCGLWIHCL-CYBMUJFWSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001376642881 921002886 /nfs/dbraw/zinc/00/28/86/921002886.db2.gz PFLGKFCGLWIHCL-CYBMUJFWSA-N 2 2 323.397 -1.039 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376662134 921008800 /nfs/dbraw/zinc/00/88/00/921008800.db2.gz SBWPKNORJNZVRU-GFCCVEGCSA-N 2 2 321.381 -1.428 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001376843525 921041410 /nfs/dbraw/zinc/04/14/10/921041410.db2.gz NOCDNVDOINUQPG-QWHCGFSZSA-N 2 2 312.370 -1.224 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001376843527 921042078 /nfs/dbraw/zinc/04/20/78/921042078.db2.gz NOCDNVDOINUQPG-STQMWFEESA-N 2 2 312.370 -1.224 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378160468 921925748 /nfs/dbraw/zinc/92/57/48/921925748.db2.gz MAZJFEXTHXVKLJ-GHMZBOCLSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378160468 921925760 /nfs/dbraw/zinc/92/57/60/921925760.db2.gz MAZJFEXTHXVKLJ-GHMZBOCLSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001378160468 921925768 /nfs/dbraw/zinc/92/57/68/921925768.db2.gz MAZJFEXTHXVKLJ-GHMZBOCLSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001378160468 921925780 /nfs/dbraw/zinc/92/57/80/921925780.db2.gz MAZJFEXTHXVKLJ-GHMZBOCLSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378160479 921926002 /nfs/dbraw/zinc/92/60/02/921926002.db2.gz MAZJFEXTHXVKLJ-WDEREUQCSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378160479 921926018 /nfs/dbraw/zinc/92/60/18/921926018.db2.gz MAZJFEXTHXVKLJ-WDEREUQCSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001378160479 921926028 /nfs/dbraw/zinc/92/60/28/921926028.db2.gz MAZJFEXTHXVKLJ-WDEREUQCSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001378160479 921926042 /nfs/dbraw/zinc/92/60/42/921926042.db2.gz MAZJFEXTHXVKLJ-WDEREUQCSA-N 2 2 311.386 -1.192 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001378182802 921927630 /nfs/dbraw/zinc/92/76/30/921927630.db2.gz NEFRBCCBAQKTCQ-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001378182802 921927641 /nfs/dbraw/zinc/92/76/41/921927641.db2.gz NEFRBCCBAQKTCQ-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001378223087 921935839 /nfs/dbraw/zinc/93/58/39/921935839.db2.gz AEAZLXDYOZEWIH-VHSXEESVSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001378223087 921935854 /nfs/dbraw/zinc/93/58/54/921935854.db2.gz AEAZLXDYOZEWIH-VHSXEESVSA-N 2 2 310.358 -1.097 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378493583 921968942 /nfs/dbraw/zinc/96/89/42/921968942.db2.gz HUCZVDNQIXUNGG-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378493583 921968952 /nfs/dbraw/zinc/96/89/52/921968952.db2.gz HUCZVDNQIXUNGG-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173837 922049026 /nfs/dbraw/zinc/04/90/26/922049026.db2.gz ARTKEBILWHKZGU-GXSJLCMTSA-N 2 2 315.399 -1.565 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173837 922049042 /nfs/dbraw/zinc/04/90/42/922049042.db2.gz ARTKEBILWHKZGU-GXSJLCMTSA-N 2 2 315.399 -1.565 20 0 DAADLP CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001379222430 922080918 /nfs/dbraw/zinc/08/09/18/922080918.db2.gz OYCDAOZSIHKIOH-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001379250730 922098770 /nfs/dbraw/zinc/09/87/70/922098770.db2.gz XCLXUALMBWJZMT-YPMHNXCESA-N 2 2 323.397 -1.065 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001379275956 922113188 /nfs/dbraw/zinc/11/31/88/922113188.db2.gz KSACOGDKPVRWMB-NXEZZACHSA-N 2 2 324.385 -1.018 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368446 922138834 /nfs/dbraw/zinc/13/88/34/922138834.db2.gz CAPBOVZGYJULDV-KGLIPLIRSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368446 922138840 /nfs/dbraw/zinc/13/88/40/922138840.db2.gz CAPBOVZGYJULDV-KGLIPLIRSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368455 922139412 /nfs/dbraw/zinc/13/94/12/922139412.db2.gz CAPBOVZGYJULDV-UONOGXRCSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368455 922139422 /nfs/dbraw/zinc/13/94/22/922139422.db2.gz CAPBOVZGYJULDV-UONOGXRCSA-N 2 2 308.382 -1.021 20 0 DAADLP Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001379378205 922142724 /nfs/dbraw/zinc/14/27/24/922142724.db2.gz YZGKDFFUULZGRR-KGLIPLIRSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001379378205 922142738 /nfs/dbraw/zinc/14/27/38/922142738.db2.gz YZGKDFFUULZGRR-KGLIPLIRSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379375950 922144711 /nfs/dbraw/zinc/14/47/11/922144711.db2.gz RZGZQQWJXGSJIA-OCCSQVGLSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379375950 922144721 /nfs/dbraw/zinc/14/47/21/922144721.db2.gz RZGZQQWJXGSJIA-OCCSQVGLSA-N 2 2 323.397 -1.318 20 0 DAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396435 922154901 /nfs/dbraw/zinc/15/49/01/922154901.db2.gz KYCNOFKZUUQTGI-SKDRFNHKSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396435 922154916 /nfs/dbraw/zinc/15/49/16/922154916.db2.gz KYCNOFKZUUQTGI-SKDRFNHKSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396426 922155321 /nfs/dbraw/zinc/15/53/21/922155321.db2.gz KYCNOFKZUUQTGI-BXKDBHETSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396426 922155331 /nfs/dbraw/zinc/15/53/31/922155331.db2.gz KYCNOFKZUUQTGI-BXKDBHETSA-N 2 2 324.385 -1.658 20 0 DAADLP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CC[NH+]1CCOCC1 ZINC001379431773 922172135 /nfs/dbraw/zinc/17/21/35/922172135.db2.gz MAQWNBMCBLXXFW-LLVKDONJSA-N 2 2 311.390 -1.473 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001379458448 922185078 /nfs/dbraw/zinc/18/50/78/922185078.db2.gz HTMLCGOOMLXDHT-MRVPVSSYSA-N 2 2 310.358 -1.189 20 0 DAADLP CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001379465062 922185263 /nfs/dbraw/zinc/18/52/63/922185263.db2.gz NAVLHIIJKPVXHB-CHWSQXEVSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001379465062 922185269 /nfs/dbraw/zinc/18/52/69/922185269.db2.gz NAVLHIIJKPVXHB-CHWSQXEVSA-N 2 2 310.402 -1.041 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379468218 922187861 /nfs/dbraw/zinc/18/78/61/922187861.db2.gz KQSWWQCWNKQRCV-SECBINFHSA-N 2 2 307.358 -1.092 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379580138 922228888 /nfs/dbraw/zinc/22/88/88/922228888.db2.gz DGSSOMDPIKQXHH-NXEZZACHSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379580145 922230284 /nfs/dbraw/zinc/23/02/84/922230284.db2.gz DGSSOMDPIKQXHH-VHSXEESVSA-N 2 2 322.369 -1.013 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001379985595 922313963 /nfs/dbraw/zinc/31/39/63/922313963.db2.gz XEVQSEJPGLWZBQ-OLZOCXBDSA-N 2 2 323.397 -1.398 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001379985595 922313978 /nfs/dbraw/zinc/31/39/78/922313978.db2.gz XEVQSEJPGLWZBQ-OLZOCXBDSA-N 2 2 323.397 -1.398 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380012726 922318039 /nfs/dbraw/zinc/31/80/39/922318039.db2.gz DWTFXMRCBMERAD-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380012726 922318054 /nfs/dbraw/zinc/31/80/54/922318054.db2.gz DWTFXMRCBMERAD-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380547426 922378984 /nfs/dbraw/zinc/37/89/84/922378984.db2.gz ZHIINLJOBNETFR-HNNXBMFYSA-N 2 2 323.397 -1.167 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380547426 922378999 /nfs/dbraw/zinc/37/89/99/922378999.db2.gz ZHIINLJOBNETFR-HNNXBMFYSA-N 2 2 323.397 -1.167 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001380565017 922391651 /nfs/dbraw/zinc/39/16/51/922391651.db2.gz FPMSNWBDIBFWHI-RISCZKNCSA-N 2 2 309.370 -1.429 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001380565017 922391664 /nfs/dbraw/zinc/39/16/64/922391664.db2.gz FPMSNWBDIBFWHI-RISCZKNCSA-N 2 2 309.370 -1.429 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380625687 922424268 /nfs/dbraw/zinc/42/42/68/922424268.db2.gz VTAOYPVQJSDTLM-CYBMUJFWSA-N 2 2 315.414 -1.502 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001380736481 922443202 /nfs/dbraw/zinc/44/32/02/922443202.db2.gz XJXHHHNOBJJCHF-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001380736481 922443209 /nfs/dbraw/zinc/44/32/09/922443209.db2.gz XJXHHHNOBJJCHF-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCCO)C2)C1 ZINC001380736481 922443221 /nfs/dbraw/zinc/44/32/21/922443221.db2.gz XJXHHHNOBJJCHF-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001380736481 922443236 /nfs/dbraw/zinc/44/32/36/922443236.db2.gz XJXHHHNOBJJCHF-DZGCQCFKSA-N 2 2 315.414 -1.358 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001380736495 922445045 /nfs/dbraw/zinc/44/50/45/922445045.db2.gz XJXHHHNOBJJCHF-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001380736495 922445057 /nfs/dbraw/zinc/44/50/57/922445057.db2.gz XJXHHHNOBJJCHF-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCCO)C2)C1 ZINC001380736495 922445065 /nfs/dbraw/zinc/44/50/65/922445065.db2.gz XJXHHHNOBJJCHF-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001380736495 922445076 /nfs/dbraw/zinc/44/50/76/922445076.db2.gz XJXHHHNOBJJCHF-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380739903 922448088 /nfs/dbraw/zinc/44/80/88/922448088.db2.gz UNFBSWKEIXZIPO-XJKSGUPXSA-N 2 2 324.425 -1.086 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380739903 922448094 /nfs/dbraw/zinc/44/80/94/922448094.db2.gz UNFBSWKEIXZIPO-XJKSGUPXSA-N 2 2 324.425 -1.086 20 0 DAADLP NC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380738334 922449322 /nfs/dbraw/zinc/44/93/22/922449322.db2.gz WJCIXVMYESUASF-CZUORRHYSA-N 2 2 324.425 -1.243 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380738334 922449330 /nfs/dbraw/zinc/44/93/30/922449330.db2.gz WJCIXVMYESUASF-CZUORRHYSA-N 2 2 324.425 -1.243 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001380769101 922453373 /nfs/dbraw/zinc/45/33/73/922453373.db2.gz SGCFTVIAYOJARL-WDEREUQCSA-N 2 2 302.375 -2.399 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001380769101 922453383 /nfs/dbraw/zinc/45/33/83/922453383.db2.gz SGCFTVIAYOJARL-WDEREUQCSA-N 2 2 302.375 -2.399 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001380769091 922454827 /nfs/dbraw/zinc/45/48/27/922454827.db2.gz SGCFTVIAYOJARL-GHMZBOCLSA-N 2 2 302.375 -2.399 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001380769091 922454835 /nfs/dbraw/zinc/45/48/35/922454835.db2.gz SGCFTVIAYOJARL-GHMZBOCLSA-N 2 2 302.375 -2.399 20 0 DAADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001381942374 922569364 /nfs/dbraw/zinc/56/93/64/922569364.db2.gz ITKOIOKLDOQXBV-PWSUYJOCSA-N 2 2 309.370 -1.347 20 0 DAADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001381942369 922569793 /nfs/dbraw/zinc/56/97/93/922569793.db2.gz ITKOIOKLDOQXBV-JQWIXIFHSA-N 2 2 309.370 -1.347 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382231691 922632499 /nfs/dbraw/zinc/63/24/99/922632499.db2.gz ALVPSEWHEJWTDP-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382231689 922632645 /nfs/dbraw/zinc/63/26/45/922632645.db2.gz ALVPSEWHEJWTDP-GFCCVEGCSA-N 2 2 309.370 -1.428 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001382238756 922635807 /nfs/dbraw/zinc/63/58/07/922635807.db2.gz UWCZJVUPCODDMG-LLVKDONJSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001382244679 922638430 /nfs/dbraw/zinc/63/84/30/922638430.db2.gz HAVXSNNISPOZNY-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001382244679 922638438 /nfs/dbraw/zinc/63/84/38/922638438.db2.gz HAVXSNNISPOZNY-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP CCn1cc(C[NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001382268277 922656241 /nfs/dbraw/zinc/65/62/41/922656241.db2.gz UZLQKVVFNCUGEV-CYBMUJFWSA-N 2 2 322.413 -1.040 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)C ZINC001382274215 922658448 /nfs/dbraw/zinc/65/84/48/922658448.db2.gz OAUAXUWQHIBSNT-LBPRGKRZSA-N 2 2 311.386 -1.217 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001382283209 922666727 /nfs/dbraw/zinc/66/67/27/922666727.db2.gz HLGVXJVVKSJSAY-NXEZZACHSA-N 2 2 322.369 -1.013 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370786 922700845 /nfs/dbraw/zinc/70/08/45/922700845.db2.gz SRPPBUGLRILOBR-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370786 922700856 /nfs/dbraw/zinc/70/08/56/922700856.db2.gz SRPPBUGLRILOBR-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001382399781 922724355 /nfs/dbraw/zinc/72/43/55/922724355.db2.gz IIGIUZBLDXHXHR-NEPJUHHUSA-N 2 2 323.397 -1.400 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001382416059 922736084 /nfs/dbraw/zinc/73/60/84/922736084.db2.gz XHBGEOXXXNRXRU-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001382424451 922744744 /nfs/dbraw/zinc/74/47/44/922744744.db2.gz NWFYUCRIXRMWHU-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(C[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001382435981 922748614 /nfs/dbraw/zinc/74/86/14/922748614.db2.gz FKQMWRYAOHFKOR-JTQLQIEISA-N 2 2 323.357 -2.086 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001382440816 922755981 /nfs/dbraw/zinc/75/59/81/922755981.db2.gz KIMAHDFWLCNMCP-CYBMUJFWSA-N 2 2 321.385 -1.071 20 0 DAADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464715 922770668 /nfs/dbraw/zinc/77/06/68/922770668.db2.gz CDSUTXIBMASBOI-NWDGAFQWSA-N 2 2 311.386 -1.033 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464715 922770677 /nfs/dbraw/zinc/77/06/77/922770677.db2.gz CDSUTXIBMASBOI-NWDGAFQWSA-N 2 2 311.386 -1.033 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001382480429 922780381 /nfs/dbraw/zinc/78/03/81/922780381.db2.gz LXIOISGZPOLSMW-LBPRGKRZSA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001382480429 922780396 /nfs/dbraw/zinc/78/03/96/922780396.db2.gz LXIOISGZPOLSMW-LBPRGKRZSA-N 2 2 311.386 -1.114 20 0 DAADLP CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001382574970 922812194 /nfs/dbraw/zinc/81/21/94/922812194.db2.gz NCJZERIGBDKFAJ-WDEREUQCSA-N 2 2 311.386 -1.114 20 0 DAADLP CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001382574961 922813023 /nfs/dbraw/zinc/81/30/23/922813023.db2.gz NCJZERIGBDKFAJ-GHMZBOCLSA-N 2 2 311.386 -1.114 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001382579286 922814250 /nfs/dbraw/zinc/81/42/50/922814250.db2.gz NTZIMQHQHVSGPB-NSHDSACASA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001382579278 922814787 /nfs/dbraw/zinc/81/47/87/922814787.db2.gz NTZIMQHQHVSGPB-LLVKDONJSA-N 2 2 323.397 -1.113 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001382952798 922855263 /nfs/dbraw/zinc/85/52/63/922855263.db2.gz LMEPRPNRGJVIRU-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382952798 922855282 /nfs/dbraw/zinc/85/52/82/922855282.db2.gz LMEPRPNRGJVIRU-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890700 922959704 /nfs/dbraw/zinc/95/97/04/922959704.db2.gz HWXXQYHFTKMFJP-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890700 922959718 /nfs/dbraw/zinc/95/97/18/922959718.db2.gz HWXXQYHFTKMFJP-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890699 922960303 /nfs/dbraw/zinc/96/03/03/922960303.db2.gz HWXXQYHFTKMFJP-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890699 922960308 /nfs/dbraw/zinc/96/03/08/922960308.db2.gz HWXXQYHFTKMFJP-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001383923128 922977711 /nfs/dbraw/zinc/97/77/11/922977711.db2.gz CXWIFAGFVMGGOT-ZDUSSCGKSA-N 2 2 323.397 -1.119 20 0 DAADLP CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001383958687 922994428 /nfs/dbraw/zinc/99/44/28/922994428.db2.gz VIFVXOGVVJOEQN-NWDGAFQWSA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384050516 923041444 /nfs/dbraw/zinc/04/14/44/923041444.db2.gz BRMRJSQDLZBUDT-CHWSQXEVSA-N 2 2 323.397 -1.020 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384050516 923041459 /nfs/dbraw/zinc/04/14/59/923041459.db2.gz BRMRJSQDLZBUDT-CHWSQXEVSA-N 2 2 323.397 -1.020 20 0 DAADLP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001384261839 923083473 /nfs/dbraw/zinc/08/34/73/923083473.db2.gz OHNFOIUDTANGBD-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001384819393 923126074 /nfs/dbraw/zinc/12/60/74/923126074.db2.gz SFCIBRKKNYZOQE-NEPJUHHUSA-N 2 2 323.397 -1.020 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001384819393 923126083 /nfs/dbraw/zinc/12/60/83/923126083.db2.gz SFCIBRKKNYZOQE-NEPJUHHUSA-N 2 2 323.397 -1.020 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001389095370 923548783 /nfs/dbraw/zinc/54/87/83/923548783.db2.gz KHGPFFHVYRDLGL-KGYLQXTDSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001389095370 923548794 /nfs/dbraw/zinc/54/87/94/923548794.db2.gz KHGPFFHVYRDLGL-KGYLQXTDSA-N 2 2 323.397 -1.114 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001389811889 923682921 /nfs/dbraw/zinc/68/29/21/923682921.db2.gz GLWATWBKUHLNSD-UWVGGRQHSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001390508650 923749907 /nfs/dbraw/zinc/74/99/07/923749907.db2.gz LXLRRUJHZHOSPV-SECBINFHSA-N 2 2 310.358 -1.488 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001390540938 923754233 /nfs/dbraw/zinc/75/42/33/923754233.db2.gz HIHBWYICBDELLW-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001390540945 923756211 /nfs/dbraw/zinc/75/62/11/923756211.db2.gz HIHBWYICBDELLW-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)NC(N)=O ZINC001390566139 923759795 /nfs/dbraw/zinc/75/97/95/923759795.db2.gz OGLUXDAPYTXIGS-IUCAKERBSA-N 2 2 308.342 -1.274 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391386525 923833413 /nfs/dbraw/zinc/83/34/13/923833413.db2.gz ADHWCYBDEWAUQH-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391386525 923833421 /nfs/dbraw/zinc/83/34/21/923833421.db2.gz ADHWCYBDEWAUQH-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391386525 923833429 /nfs/dbraw/zinc/83/34/29/923833429.db2.gz ADHWCYBDEWAUQH-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391386525 923833435 /nfs/dbraw/zinc/83/34/35/923833435.db2.gz ADHWCYBDEWAUQH-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001391514381 923849795 /nfs/dbraw/zinc/84/97/95/923849795.db2.gz ICRWRNROSDNETI-UHFFFAOYSA-N 2 2 313.402 -1.039 20 0 DAADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001391514381 923849804 /nfs/dbraw/zinc/84/98/04/923849804.db2.gz ICRWRNROSDNETI-UHFFFAOYSA-N 2 2 313.402 -1.039 20 0 DAADLP CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001391494689 923850589 /nfs/dbraw/zinc/85/05/89/923850589.db2.gz GJNRCQXWJUAJNL-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391621585 923864436 /nfs/dbraw/zinc/86/44/36/923864436.db2.gz MEYCTSCFJPZYBV-WDEREUQCSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391621585 923864444 /nfs/dbraw/zinc/86/44/44/923864444.db2.gz MEYCTSCFJPZYBV-WDEREUQCSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621585 923864448 /nfs/dbraw/zinc/86/44/48/923864448.db2.gz MEYCTSCFJPZYBV-WDEREUQCSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621585 923864456 /nfs/dbraw/zinc/86/44/56/923864456.db2.gz MEYCTSCFJPZYBV-WDEREUQCSA-N 2 2 311.386 -1.334 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879483 923880172 /nfs/dbraw/zinc/88/01/72/923880172.db2.gz AUNPLJLLPLNPBQ-YPMHNXCESA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879483 923880189 /nfs/dbraw/zinc/88/01/89/923880189.db2.gz AUNPLJLLPLNPBQ-YPMHNXCESA-N 2 2 310.402 -1.012 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001392129488 923938484 /nfs/dbraw/zinc/93/84/84/923938484.db2.gz WWQLWJJYONNPKD-MRVPVSSYSA-N 2 2 310.358 -1.108 20 0 DAADLP CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001392131660 923941241 /nfs/dbraw/zinc/94/12/41/923941241.db2.gz SBECCYIRNMWWSZ-VXGBXAGGSA-N 2 2 311.386 -1.183 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326334 923962710 /nfs/dbraw/zinc/96/27/10/923962710.db2.gz JDRNHQNULBAYKK-UHFFFAOYSA-N 2 2 313.402 -1.072 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326334 923962716 /nfs/dbraw/zinc/96/27/16/923962716.db2.gz JDRNHQNULBAYKK-UHFFFAOYSA-N 2 2 313.402 -1.072 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392379184 923991926 /nfs/dbraw/zinc/99/19/26/923991926.db2.gz IOXKYOHVVKHFQH-NWDGAFQWSA-N 2 2 323.397 -1.352 20 0 DAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)nn1 ZINC001392390250 924003820 /nfs/dbraw/zinc/00/38/20/924003820.db2.gz OOCZTQZQFSMMOB-GFCCVEGCSA-N 2 2 307.358 -1.331 20 0 DAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)nn1 ZINC001392390252 924004055 /nfs/dbraw/zinc/00/40/55/924004055.db2.gz OOCZTQZQFSMMOB-LBPRGKRZSA-N 2 2 307.358 -1.331 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001392406934 924016224 /nfs/dbraw/zinc/01/62/24/924016224.db2.gz CTTJMVSRCYGYSF-MWLCHTKSSA-N 2 2 309.370 -1.314 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001392406939 924016455 /nfs/dbraw/zinc/01/64/55/924016455.db2.gz CTTJMVSRCYGYSF-ONGXEEELSA-N 2 2 309.370 -1.314 20 0 DAADLP O=C(C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)Nc1ccon1 ZINC001392421347 924023394 /nfs/dbraw/zinc/02/33/94/924023394.db2.gz DAXPTIUEPMVYQR-JTQLQIEISA-N 2 2 322.325 -1.424 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422284 924023712 /nfs/dbraw/zinc/02/37/12/924023712.db2.gz HWBPQYAMDUTEDN-NEPJUHHUSA-N 2 2 313.358 -1.643 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422284 924023724 /nfs/dbraw/zinc/02/37/24/924023724.db2.gz HWBPQYAMDUTEDN-NEPJUHHUSA-N 2 2 313.358 -1.643 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422293 924024779 /nfs/dbraw/zinc/02/47/79/924024779.db2.gz HWBPQYAMDUTEDN-RYUDHWBXSA-N 2 2 313.358 -1.643 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422293 924024795 /nfs/dbraw/zinc/02/47/95/924024795.db2.gz HWBPQYAMDUTEDN-RYUDHWBXSA-N 2 2 313.358 -1.643 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)C ZINC001392423259 924028916 /nfs/dbraw/zinc/02/89/16/924028916.db2.gz UEJURYXTEYLXMQ-NSHDSACASA-N 2 2 311.386 -1.148 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392534325 924046803 /nfs/dbraw/zinc/04/68/03/924046803.db2.gz AORLGEHWWPLLSF-NXEZZACHSA-N 2 2 310.358 -1.179 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392863006 924089754 /nfs/dbraw/zinc/08/97/54/924089754.db2.gz DWTFXMRCBMERAD-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392863006 924089768 /nfs/dbraw/zinc/08/97/68/924089768.db2.gz DWTFXMRCBMERAD-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393240412 924129185 /nfs/dbraw/zinc/12/91/85/924129185.db2.gz HCVGHVCDGSTEEG-SMDDNHRTSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393240412 924129189 /nfs/dbraw/zinc/12/91/89/924129189.db2.gz HCVGHVCDGSTEEG-SMDDNHRTSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001393240412 924129197 /nfs/dbraw/zinc/12/91/97/924129197.db2.gz HCVGHVCDGSTEEG-SMDDNHRTSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001393240412 924129202 /nfs/dbraw/zinc/12/92/02/924129202.db2.gz HCVGHVCDGSTEEG-SMDDNHRTSA-N 2 2 314.386 -2.384 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001393288685 924156988 /nfs/dbraw/zinc/15/69/88/924156988.db2.gz DWENEJKLNASJQI-DOMZBBRYSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393288685 924156995 /nfs/dbraw/zinc/15/69/95/924156995.db2.gz DWENEJKLNASJQI-DOMZBBRYSA-N 2 2 321.381 -1.285 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289899 924159464 /nfs/dbraw/zinc/15/94/64/924159464.db2.gz KGTYQTBYTHITFT-XHDPSFHLSA-N 2 2 323.397 -1.221 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289899 924159471 /nfs/dbraw/zinc/15/94/71/924159471.db2.gz KGTYQTBYTHITFT-XHDPSFHLSA-N 2 2 323.397 -1.221 20 0 DAADLP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393400142 924194543 /nfs/dbraw/zinc/19/45/43/924194543.db2.gz VZKPFRWFPTXTFT-GHMZBOCLSA-N 2 2 322.369 -1.095 20 0 DAADLP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393428823 924202564 /nfs/dbraw/zinc/20/25/64/924202564.db2.gz NMUGOEDLAYMQMP-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393428823 924202578 /nfs/dbraw/zinc/20/25/78/924202578.db2.gz NMUGOEDLAYMQMP-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001393428823 924202588 /nfs/dbraw/zinc/20/25/88/924202588.db2.gz NMUGOEDLAYMQMP-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001393428823 924202603 /nfs/dbraw/zinc/20/26/03/924202603.db2.gz NMUGOEDLAYMQMP-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001393468122 924212752 /nfs/dbraw/zinc/21/27/52/924212752.db2.gz IWZRYBFSCZIVEI-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001393468122 924212770 /nfs/dbraw/zinc/21/27/70/924212770.db2.gz IWZRYBFSCZIVEI-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692311 924245001 /nfs/dbraw/zinc/24/50/01/924245001.db2.gz JNENMCSLVQCXSD-BXUZGUMPSA-N 2 2 314.386 -2.255 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692311 924245014 /nfs/dbraw/zinc/24/50/14/924245014.db2.gz JNENMCSLVQCXSD-BXUZGUMPSA-N 2 2 314.386 -2.255 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692329 924245082 /nfs/dbraw/zinc/24/50/82/924245082.db2.gz JNENMCSLVQCXSD-SMDDNHRTSA-N 2 2 314.386 -2.255 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692329 924245096 /nfs/dbraw/zinc/24/50/96/924245096.db2.gz JNENMCSLVQCXSD-SMDDNHRTSA-N 2 2 314.386 -2.255 20 0 DAADLP CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393714125 924248903 /nfs/dbraw/zinc/24/89/03/924248903.db2.gz WDVDWHJDKMSJKG-OAHLLOKOSA-N 2 2 323.397 -1.086 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047521 924274086 /nfs/dbraw/zinc/27/40/86/924274086.db2.gz OATNOQOILTZWQF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047521 924274095 /nfs/dbraw/zinc/27/40/95/924274095.db2.gz OATNOQOILTZWQF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047521 924274103 /nfs/dbraw/zinc/27/41/03/924274103.db2.gz OATNOQOILTZWQF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047521 924274111 /nfs/dbraw/zinc/27/41/11/924274111.db2.gz OATNOQOILTZWQF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139990 924283560 /nfs/dbraw/zinc/28/35/60/924283560.db2.gz JYCLAFGWNLRUOU-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139990 924283568 /nfs/dbraw/zinc/28/35/68/924283568.db2.gz JYCLAFGWNLRUOU-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)C1 ZINC001394139990 924283577 /nfs/dbraw/zinc/28/35/77/924283577.db2.gz JYCLAFGWNLRUOU-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)C1 ZINC001394139990 924283586 /nfs/dbraw/zinc/28/35/86/924283586.db2.gz JYCLAFGWNLRUOU-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001394286618 924295028 /nfs/dbraw/zinc/29/50/28/924295028.db2.gz OPIHORPHPHQWJK-JTQLQIEISA-N 2 2 313.402 -1.040 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001394286618 924295033 /nfs/dbraw/zinc/29/50/33/924295033.db2.gz OPIHORPHPHQWJK-JTQLQIEISA-N 2 2 313.402 -1.040 20 0 DAADLP Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001394632059 924346277 /nfs/dbraw/zinc/34/62/77/924346277.db2.gz NCOILFJPRDFZDV-LBPRGKRZSA-N 2 2 306.370 -1.005 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634777 924349610 /nfs/dbraw/zinc/34/96/10/924349610.db2.gz KUVZQIBSHQDGPZ-WCQYABFASA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634777 924349621 /nfs/dbraw/zinc/34/96/21/924349621.db2.gz KUVZQIBSHQDGPZ-WCQYABFASA-N 2 2 310.402 -1.276 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394648336 924353020 /nfs/dbraw/zinc/35/30/20/924353020.db2.gz FVPZLXQQNKQDSB-GFCCVEGCSA-N 2 2 322.413 -1.040 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001394649131 924353575 /nfs/dbraw/zinc/35/35/75/924353575.db2.gz UURKKWONULJHKW-GHMZBOCLSA-N 2 2 319.369 -1.202 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001394657595 924358934 /nfs/dbraw/zinc/35/89/34/924358934.db2.gz HDBHOGCSVZWULI-QWHCGFSZSA-N 2 2 323.397 -1.134 20 0 DAADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001394710387 924363785 /nfs/dbraw/zinc/36/37/85/924363785.db2.gz LARRCRAOJVYLMF-SECBINFHSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001394739461 924372047 /nfs/dbraw/zinc/37/20/47/924372047.db2.gz BTRODHPHXSOSID-GHMZBOCLSA-N 2 2 311.386 -1.365 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001394759338 924380368 /nfs/dbraw/zinc/38/03/68/924380368.db2.gz SRODYXPJIWOJDC-VXGBXAGGSA-N 2 2 309.370 -1.740 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791374 924391308 /nfs/dbraw/zinc/39/13/08/924391308.db2.gz OIZAHWQLFJHHPY-NEPJUHHUSA-N 2 2 311.386 -1.102 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791374 924391316 /nfs/dbraw/zinc/39/13/16/924391316.db2.gz OIZAHWQLFJHHPY-NEPJUHHUSA-N 2 2 311.386 -1.102 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001395737320 924456729 /nfs/dbraw/zinc/45/67/29/924456729.db2.gz MVZMOFGBUFGVFF-MNOVXSKESA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001395737320 924456736 /nfs/dbraw/zinc/45/67/36/924456736.db2.gz MVZMOFGBUFGVFF-MNOVXSKESA-N 2 2 309.370 -1.503 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395777033 924472189 /nfs/dbraw/zinc/47/21/89/924472189.db2.gz KOSFKYPLPPCYFK-DGCLKSJQSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395777033 924472195 /nfs/dbraw/zinc/47/21/95/924472195.db2.gz KOSFKYPLPPCYFK-DGCLKSJQSA-N 2 2 323.397 -1.052 20 0 DAADLP CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001395807587 924482300 /nfs/dbraw/zinc/48/23/00/924482300.db2.gz OGYXGBPMBWJXHG-RYUDHWBXSA-N 2 2 311.386 -1.183 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001397146138 924560080 /nfs/dbraw/zinc/56/00/80/924560080.db2.gz BJVUCGJMHKEKLC-XYPYZODXSA-N 2 2 319.369 -1.011 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001398286176 924633367 /nfs/dbraw/zinc/63/33/67/924633367.db2.gz QBOCVHFUBKZBPH-ZDUSSCGKSA-N 2 2 311.430 -1.310 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001398448911 924643237 /nfs/dbraw/zinc/64/32/37/924643237.db2.gz IYHLTPNHQTWQBS-JTQLQIEISA-N 2 2 308.342 -1.438 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398550030 924648500 /nfs/dbraw/zinc/64/85/00/924648500.db2.gz CROILNPSDMTDTC-KYZUINATSA-N 2 2 308.342 -1.355 20 0 DAADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)NC(N)=O ZINC001399010428 924683814 /nfs/dbraw/zinc/68/38/14/924683814.db2.gz BOUMAAMGDNFKDQ-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001399641394 924713437 /nfs/dbraw/zinc/71/34/37/924713437.db2.gz BXYUVZGWRJUTIZ-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001399641394 924713444 /nfs/dbraw/zinc/71/34/44/924713444.db2.gz BXYUVZGWRJUTIZ-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCOCC1 ZINC001399652355 924713621 /nfs/dbraw/zinc/71/36/21/924713621.db2.gz HVSKHRVIDICKHI-ZDUSSCGKSA-N 2 2 312.414 -1.155 20 0 DAADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCOCC1 ZINC001399652355 924713632 /nfs/dbraw/zinc/71/36/32/924713632.db2.gz HVSKHRVIDICKHI-ZDUSSCGKSA-N 2 2 312.414 -1.155 20 0 DAADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N1CCOCC1 ZINC001399652355 924713639 /nfs/dbraw/zinc/71/36/39/924713639.db2.gz HVSKHRVIDICKHI-ZDUSSCGKSA-N 2 2 312.414 -1.155 20 0 DAADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N1CCOCC1 ZINC001399652355 924713648 /nfs/dbraw/zinc/71/36/48/924713648.db2.gz HVSKHRVIDICKHI-ZDUSSCGKSA-N 2 2 312.414 -1.155 20 0 DAADLP NC(=O)NC(=O)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001400037470 924767581 /nfs/dbraw/zinc/76/75/81/924767581.db2.gz HHVKDRJALVKHAM-UHFFFAOYSA-N 2 2 311.386 -1.142 20 0 DAADLP NC(=O)NC(=O)C[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001400037470 924767589 /nfs/dbraw/zinc/76/75/89/924767589.db2.gz HHVKDRJALVKHAM-UHFFFAOYSA-N 2 2 311.386 -1.142 20 0 DAADLP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001400209925 924779208 /nfs/dbraw/zinc/77/92/08/924779208.db2.gz YMUDTYFKACVTHE-AWEZNQCLSA-N 2 2 314.430 -1.615 20 0 DAADLP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001400209925 924779213 /nfs/dbraw/zinc/77/92/13/924779213.db2.gz YMUDTYFKACVTHE-AWEZNQCLSA-N 2 2 314.430 -1.615 20 0 DAADLP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001400209926 924779551 /nfs/dbraw/zinc/77/95/51/924779551.db2.gz YMUDTYFKACVTHE-CQSZACIVSA-N 2 2 314.430 -1.615 20 0 DAADLP CN(CCN1CC[NH+](CCO)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001400209926 924779560 /nfs/dbraw/zinc/77/95/60/924779560.db2.gz YMUDTYFKACVTHE-CQSZACIVSA-N 2 2 314.430 -1.615 20 0 DAADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001400533854 924808834 /nfs/dbraw/zinc/80/88/34/924808834.db2.gz UXVYVQWDXLHCRH-UHFFFAOYSA-N 2 2 312.414 -1.122 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400739693 924828996 /nfs/dbraw/zinc/82/89/96/924828996.db2.gz OOMWSQIZFMHDQN-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400739693 924829002 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ZINC001406239758 925369755 /nfs/dbraw/zinc/36/97/55/925369755.db2.gz FUNKRNTYEQXFLN-JTQLQIEISA-N 2 2 305.338 -1.239 20 0 DAADLP O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)c1cccc2[nH+]ccn21 ZINC001406253234 925377664 /nfs/dbraw/zinc/37/76/64/925377664.db2.gz XYOOUPADEWRBDE-QWRGUYRKSA-N 2 2 317.349 -1.097 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001406272021 925389165 /nfs/dbraw/zinc/38/91/65/925389165.db2.gz CPDABAOJRVNSAT-RYUDHWBXSA-N 2 2 323.397 -1.052 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001406397230 925412542 /nfs/dbraw/zinc/41/25/42/925412542.db2.gz KFFAKOSPHQAGFN-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001406397230 925412547 /nfs/dbraw/zinc/41/25/47/925412547.db2.gz KFFAKOSPHQAGFN-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406692609 925429072 /nfs/dbraw/zinc/42/90/72/925429072.db2.gz CKSHURARYTUKGS-SECBINFHSA-N 2 2 310.358 -1.177 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406692609 925429088 /nfs/dbraw/zinc/42/90/88/925429088.db2.gz CKSHURARYTUKGS-SECBINFHSA-N 2 2 310.358 -1.177 20 0 DAADLP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001406903766 925443355 /nfs/dbraw/zinc/44/33/55/925443355.db2.gz CKJIXRALGCVASV-GFCCVEGCSA-N 2 2 308.386 -1.116 20 0 DAADLP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001406903766 925443361 /nfs/dbraw/zinc/44/33/61/925443361.db2.gz CKJIXRALGCVASV-GFCCVEGCSA-N 2 2 308.386 -1.116 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407375559 925474063 /nfs/dbraw/zinc/47/40/63/925474063.db2.gz HSZAHGZWOPETKI-JSGCOSHPSA-N 2 2 312.370 -1.557 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407375559 925474076 /nfs/dbraw/zinc/47/40/76/925474076.db2.gz HSZAHGZWOPETKI-JSGCOSHPSA-N 2 2 312.370 -1.557 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407375551 925474788 /nfs/dbraw/zinc/47/47/88/925474788.db2.gz HSZAHGZWOPETKI-GXTWGEPZSA-N 2 2 312.370 -1.557 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407375551 925474797 /nfs/dbraw/zinc/47/47/97/925474797.db2.gz HSZAHGZWOPETKI-GXTWGEPZSA-N 2 2 312.370 -1.557 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001407390263 925478099 /nfs/dbraw/zinc/47/80/99/925478099.db2.gz SCRJOZJRNZKPEZ-OAHLLOKOSA-N 2 2 322.413 -1.036 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001407390263 925478105 /nfs/dbraw/zinc/47/81/05/925478105.db2.gz SCRJOZJRNZKPEZ-OAHLLOKOSA-N 2 2 322.413 -1.036 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001408103659 925547796 /nfs/dbraw/zinc/54/77/96/925547796.db2.gz ZOYMNVMWXFNVCN-GXSJLCMTSA-N 2 2 322.369 -1.156 20 0 DAADLP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001410143483 925694759 /nfs/dbraw/zinc/69/47/59/925694759.db2.gz JOLHVZSRBKJDQX-YPMHNXCESA-N 2 2 323.397 -1.086 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001410653590 925747766 /nfs/dbraw/zinc/74/77/66/925747766.db2.gz JOUHLOVPJSUTDU-KBPBESRZSA-N 2 2 322.413 -1.276 20 0 DAADLP CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001410718091 925765955 /nfs/dbraw/zinc/76/59/55/925765955.db2.gz FBLRUROJEUNTFS-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001410784409 925779301 /nfs/dbraw/zinc/77/93/01/925779301.db2.gz MZVOEYQRHMQVRA-LLVKDONJSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001410784411 925781051 /nfs/dbraw/zinc/78/10/51/925781051.db2.gz MZVOEYQRHMQVRA-NSHDSACASA-N 2 2 323.397 -1.052 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001410793975 925783849 /nfs/dbraw/zinc/78/38/49/925783849.db2.gz UXFDURQCWZDFEK-UWVGGRQHSA-N 2 2 312.374 -2.373 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793975 925783859 /nfs/dbraw/zinc/78/38/59/925783859.db2.gz UXFDURQCWZDFEK-UWVGGRQHSA-N 2 2 312.374 -2.373 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001411124110 925815030 /nfs/dbraw/zinc/81/50/30/925815030.db2.gz JGXRZUTTZCZQHV-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001411137363 925818948 /nfs/dbraw/zinc/81/89/48/925818948.db2.gz FIJKZBBLIWDADS-QWHCGFSZSA-N 2 2 323.397 -1.350 20 0 DAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](CO)NC(N)=O ZINC001412531235 925908289 /nfs/dbraw/zinc/90/82/89/925908289.db2.gz XJLDMNUBODWJBU-LBPRGKRZSA-N 2 2 315.418 -1.500 20 0 DAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](CO)NC(N)=O ZINC001412531235 925908297 /nfs/dbraw/zinc/90/82/97/925908297.db2.gz XJLDMNUBODWJBU-LBPRGKRZSA-N 2 2 315.418 -1.500 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412898005 925978496 /nfs/dbraw/zinc/97/84/96/925978496.db2.gz IKEUBMGAWIEDPM-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412898005 925978506 /nfs/dbraw/zinc/97/85/06/925978506.db2.gz IKEUBMGAWIEDPM-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412909723 925981057 /nfs/dbraw/zinc/98/10/57/925981057.db2.gz WSTCEYKGJYPAKU-LBPRGKRZSA-N 2 2 320.353 -1.318 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914442 925982856 /nfs/dbraw/zinc/98/28/56/925982856.db2.gz GZYQKQCZSHBZBY-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914442 925982863 /nfs/dbraw/zinc/98/28/63/925982863.db2.gz GZYQKQCZSHBZBY-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341243 926038966 /nfs/dbraw/zinc/03/89/66/926038966.db2.gz QCNYFNWFNYFQHD-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341243 926038973 /nfs/dbraw/zinc/03/89/73/926038973.db2.gz QCNYFNWFNYFQHD-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O)[NH+](C)C ZINC001413987841 926093703 /nfs/dbraw/zinc/09/37/03/926093703.db2.gz IJDIRTMWZQDQBT-JHJVBQTASA-N 2 2 323.397 -1.089 20 0 DAADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001414218511 926110952 /nfs/dbraw/zinc/11/09/52/926110952.db2.gz ZZKFEJZBCLRSAB-UHFFFAOYSA-N 3 2 321.491 -1.096 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740418 926260095 /nfs/dbraw/zinc/26/00/95/926260095.db2.gz KIPAWYMSXCHDNL-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740418 926260105 /nfs/dbraw/zinc/26/01/05/926260105.db2.gz KIPAWYMSXCHDNL-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001416774613 926272294 /nfs/dbraw/zinc/27/22/94/926272294.db2.gz ODAWBNCRQKBBQW-QWRGUYRKSA-N 2 2 311.386 -1.114 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001417919286 926348680 /nfs/dbraw/zinc/34/86/80/926348680.db2.gz YEBAQIZVUSTFNY-STQMWFEESA-N 2 2 311.430 -1.312 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001417919286 926348686 /nfs/dbraw/zinc/34/86/86/926348686.db2.gz YEBAQIZVUSTFNY-STQMWFEESA-N 2 2 311.430 -1.312 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)nc1=O ZINC001418010427 926357363 /nfs/dbraw/zinc/35/73/63/926357363.db2.gz IWGWNKYJRXPCMH-NSHDSACASA-N 2 2 319.369 -1.011 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418106934 926365140 /nfs/dbraw/zinc/36/51/40/926365140.db2.gz BDJUYNPTQRSTBE-DTORHVGOSA-N 2 2 308.342 -1.606 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH2+]CCO ZINC001418260934 926377217 /nfs/dbraw/zinc/37/72/17/926377217.db2.gz GUYNBLXJJHBXTQ-MJBXVCDLSA-N 2 2 315.414 -1.047 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418323460 926381122 /nfs/dbraw/zinc/38/11/22/926381122.db2.gz UZGDSHFULNRYSJ-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CC(=O)NC ZINC001418580622 926404534 /nfs/dbraw/zinc/40/45/34/926404534.db2.gz JFYFSCBMVZMNTD-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CC(=O)NC ZINC001418580622 926404537 /nfs/dbraw/zinc/40/45/37/926404537.db2.gz JFYFSCBMVZMNTD-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)CC(=O)NC ZINC001418580622 926404538 /nfs/dbraw/zinc/40/45/38/926404538.db2.gz JFYFSCBMVZMNTD-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)CC(=O)NC ZINC001418580622 926404541 /nfs/dbraw/zinc/40/45/41/926404541.db2.gz JFYFSCBMVZMNTD-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001418613035 926408365 /nfs/dbraw/zinc/40/83/65/926408365.db2.gz OXKMPVBWGLTFIZ-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001418613035 926408370 /nfs/dbraw/zinc/40/83/70/926408370.db2.gz OXKMPVBWGLTFIZ-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001418613035 926408377 /nfs/dbraw/zinc/40/83/77/926408377.db2.gz OXKMPVBWGLTFIZ-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001418613035 926408386 /nfs/dbraw/zinc/40/83/86/926408386.db2.gz OXKMPVBWGLTFIZ-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001418915040 926430195 /nfs/dbraw/zinc/43/01/95/926430195.db2.gz HNAXTWBSSCSJEA-ZDUSSCGKSA-N 2 2 311.430 -1.501 20 0 DAADLP CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418915040 926430203 /nfs/dbraw/zinc/43/02/03/926430203.db2.gz HNAXTWBSSCSJEA-ZDUSSCGKSA-N 2 2 311.430 -1.501 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902114 926430403 /nfs/dbraw/zinc/43/04/03/926430403.db2.gz AQAXMLKLCGETAE-JTQLQIEISA-N 2 2 322.369 -1.025 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902114 926430410 /nfs/dbraw/zinc/43/04/10/926430410.db2.gz AQAXMLKLCGETAE-JTQLQIEISA-N 2 2 322.369 -1.025 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001419129553 926460411 /nfs/dbraw/zinc/46/04/11/926460411.db2.gz NVAJBWHCNDPNNA-ZIAGYGMSSA-N 2 2 314.430 -1.568 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001419129553 926460418 /nfs/dbraw/zinc/46/04/18/926460418.db2.gz NVAJBWHCNDPNNA-ZIAGYGMSSA-N 2 2 314.430 -1.568 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001419958236 926511094 /nfs/dbraw/zinc/51/10/94/926511094.db2.gz TXDWQHWLPSHRPF-JTQLQIEISA-N 2 2 322.369 -1.034 20 0 DAADLP CN(CC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001420052849 926516360 /nfs/dbraw/zinc/51/63/60/926516360.db2.gz VUWHILKGMHUPQQ-LLVKDONJSA-N 2 2 310.402 -1.050 20 0 DAADLP CN(CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001420052849 926516371 /nfs/dbraw/zinc/51/63/71/926516371.db2.gz VUWHILKGMHUPQQ-LLVKDONJSA-N 2 2 310.402 -1.050 20 0 DAADLP CN(CC[NH+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420052849 926516377 /nfs/dbraw/zinc/51/63/77/926516377.db2.gz VUWHILKGMHUPQQ-LLVKDONJSA-N 2 2 310.402 -1.050 20 0 DAADLP CN(CC[NH+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420052849 926516385 /nfs/dbraw/zinc/51/63/85/926516385.db2.gz VUWHILKGMHUPQQ-LLVKDONJSA-N 2 2 310.402 -1.050 20 0 DAADLP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001420083680 926521373 /nfs/dbraw/zinc/52/13/73/926521373.db2.gz XJMNIMWDNDPKGG-QWRGUYRKSA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001420083680 926521384 /nfs/dbraw/zinc/52/13/84/926521384.db2.gz XJMNIMWDNDPKGG-QWRGUYRKSA-N 2 2 311.390 -1.475 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001420151877 926543498 /nfs/dbraw/zinc/54/34/98/926543498.db2.gz WKUQIJSQDDPOJB-DGCLKSJQSA-N 2 2 323.397 -1.352 20 0 DAADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001420166262 926548155 /nfs/dbraw/zinc/54/81/55/926548155.db2.gz CMZNVIHGEPYHSX-ZJUUUORDSA-N 2 2 310.358 -1.049 20 0 DAADLP CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194752 926559871 /nfs/dbraw/zinc/55/98/71/926559871.db2.gz WMVSKSKTNVFZHF-LBPRGKRZSA-N 2 2 310.402 -1.040 20 0 DAADLP CN1CCC[C@H]([N@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001420195799 926561309 /nfs/dbraw/zinc/56/13/09/926561309.db2.gz LEYVVSUWCDHNKJ-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@H]([N@@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001420195799 926561320 /nfs/dbraw/zinc/56/13/20/926561320.db2.gz LEYVVSUWCDHNKJ-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001420195799 926561325 /nfs/dbraw/zinc/56/13/25/926561325.db2.gz LEYVVSUWCDHNKJ-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001420195799 926561336 /nfs/dbraw/zinc/56/13/36/926561336.db2.gz LEYVVSUWCDHNKJ-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001420203668 926562984 /nfs/dbraw/zinc/56/29/84/926562984.db2.gz IREJHCMSTYASQS-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001420352667 926584366 /nfs/dbraw/zinc/58/43/66/926584366.db2.gz QHIMNOFILGETFY-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001420352667 926584368 /nfs/dbraw/zinc/58/43/68/926584368.db2.gz QHIMNOFILGETFY-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)C1 ZINC001420352667 926584383 /nfs/dbraw/zinc/58/43/83/926584383.db2.gz QHIMNOFILGETFY-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)C1 ZINC001420352667 926584393 /nfs/dbraw/zinc/58/43/93/926584393.db2.gz QHIMNOFILGETFY-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001420351806 926585577 /nfs/dbraw/zinc/58/55/77/926585577.db2.gz NEDCHROZQIYMMQ-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001420351806 926585582 /nfs/dbraw/zinc/58/55/82/926585582.db2.gz NEDCHROZQIYMMQ-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001420351806 926585588 /nfs/dbraw/zinc/58/55/88/926585588.db2.gz NEDCHROZQIYMMQ-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001420351806 926585597 /nfs/dbraw/zinc/58/55/97/926585597.db2.gz NEDCHROZQIYMMQ-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412364 926692493 /nfs/dbraw/zinc/69/24/93/926692493.db2.gz NKZFZGWBOZKLDP-ABAIWWIYSA-N 2 2 323.397 -1.350 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412364 926692504 /nfs/dbraw/zinc/69/25/04/926692504.db2.gz NKZFZGWBOZKLDP-ABAIWWIYSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421415122 926692741 /nfs/dbraw/zinc/69/27/41/926692741.db2.gz SOLOKALRDPEBFJ-WFASDCNBSA-N 2 2 321.381 -1.596 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421415122 926692751 /nfs/dbraw/zinc/69/27/51/926692751.db2.gz SOLOKALRDPEBFJ-WFASDCNBSA-N 2 2 321.381 -1.596 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412377 926692881 /nfs/dbraw/zinc/69/28/81/926692881.db2.gz NKZFZGWBOZKLDP-NHYWBVRUSA-N 2 2 323.397 -1.350 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412377 926692889 /nfs/dbraw/zinc/69/28/89/926692889.db2.gz NKZFZGWBOZKLDP-NHYWBVRUSA-N 2 2 323.397 -1.350 20 0 DAADLP CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001421633479 926736290 /nfs/dbraw/zinc/73/62/90/926736290.db2.gz HDWYAUJZCLSQIV-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001421822681 926764597 /nfs/dbraw/zinc/76/45/97/926764597.db2.gz NCOWZLQGQMNOLZ-RYUDHWBXSA-N 2 2 312.370 -1.224 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001422060276 926784908 /nfs/dbraw/zinc/78/49/08/926784908.db2.gz JZRJDRHCLAYWLH-UWVGGRQHSA-N 2 2 322.369 -1.156 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001422106983 926790436 /nfs/dbraw/zinc/79/04/36/926790436.db2.gz JOFVBCXNSVTZJY-UHFFFAOYSA-N 2 2 309.370 -1.609 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)c1nncn1C ZINC001422397078 926863410 /nfs/dbraw/zinc/86/34/10/926863410.db2.gz KCBCXWYTKDDQQT-ZYHUDNBSSA-N 2 2 321.385 -1.081 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001422403448 926865503 /nfs/dbraw/zinc/86/55/03/926865503.db2.gz KJBXWZYGFASBQL-WDEREUQCSA-N 2 2 307.358 -1.161 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419851 926869194 /nfs/dbraw/zinc/86/91/94/926869194.db2.gz ZGPKHLLQKHALDR-CHWSQXEVSA-N 2 2 312.370 -1.038 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419851 926869213 /nfs/dbraw/zinc/86/92/13/926869213.db2.gz ZGPKHLLQKHALDR-CHWSQXEVSA-N 2 2 312.370 -1.038 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001422588833 926888268 /nfs/dbraw/zinc/88/82/68/926888268.db2.gz HMDODQLJOFPCPJ-NXEZZACHSA-N 2 2 324.385 -1.099 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422760299 926914210 /nfs/dbraw/zinc/91/42/10/926914210.db2.gz LRGRZRIQODQGTB-VXGBXAGGSA-N 2 2 312.414 -1.124 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001422847562 926922990 /nfs/dbraw/zinc/92/29/90/926922990.db2.gz DOJWKOLDQLWFLV-CMPLNLGQSA-N 2 2 309.370 -1.049 20 0 DAADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)NC(N)=O ZINC001423097186 926947233 /nfs/dbraw/zinc/94/72/33/926947233.db2.gz DQXAZBBMVZFAPR-SNVBAGLBSA-N 2 2 324.385 -1.016 20 0 DAADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001423137984 926952193 /nfs/dbraw/zinc/95/21/93/926952193.db2.gz VLUHLGFKOPCCKS-DTWKUNHWSA-N 2 2 310.358 -1.028 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190987 926960122 /nfs/dbraw/zinc/96/01/22/926960122.db2.gz CPHGDDUWSPGQRX-GHMZBOCLSA-N 2 2 323.415 -2.572 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190987 926960131 /nfs/dbraw/zinc/96/01/31/926960131.db2.gz CPHGDDUWSPGQRX-GHMZBOCLSA-N 2 2 323.415 -2.572 20 0 DAADLP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001423196171 926965583 /nfs/dbraw/zinc/96/55/83/926965583.db2.gz YQBOLGXEESRMOW-CHWSQXEVSA-N 2 2 314.430 -1.081 20 0 DAADLP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001423196171 926965593 /nfs/dbraw/zinc/96/55/93/926965593.db2.gz YQBOLGXEESRMOW-CHWSQXEVSA-N 2 2 314.430 -1.081 20 0 DAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001423209347 926971256 /nfs/dbraw/zinc/97/12/56/926971256.db2.gz IQHYBWOHBBJWMM-CMPLNLGQSA-N 2 2 323.397 -1.298 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001423244998 926995616 /nfs/dbraw/zinc/99/56/16/926995616.db2.gz ZPOQXTRCSWLAIR-LLVKDONJSA-N 2 2 310.402 -1.134 20 0 DAADLP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)CC1 ZINC001423304499 927022234 /nfs/dbraw/zinc/02/22/34/927022234.db2.gz OIDJBTJDRWKRNW-OLZOCXBDSA-N 2 2 312.414 -1.327 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001423309027 927025070 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ZINC001423801926 927135206 /nfs/dbraw/zinc/13/52/06/927135206.db2.gz UXHJJSLHWOTGSQ-OAHLLOKOSA-N 2 2 323.397 -1.396 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001423801926 927135215 /nfs/dbraw/zinc/13/52/15/927135215.db2.gz UXHJJSLHWOTGSQ-OAHLLOKOSA-N 2 2 323.397 -1.396 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CC(N)=O)C1 ZINC001424050394 927188558 /nfs/dbraw/zinc/18/85/58/927188558.db2.gz WQICSIIATIYHMR-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CC(N)=O)C1 ZINC001424050394 927188566 /nfs/dbraw/zinc/18/85/66/927188566.db2.gz WQICSIIATIYHMR-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001424050394 927188571 /nfs/dbraw/zinc/18/85/71/927188571.db2.gz WQICSIIATIYHMR-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001424050394 927188577 /nfs/dbraw/zinc/18/85/77/927188577.db2.gz WQICSIIATIYHMR-CQSZACIVSA-N 2 2 300.403 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CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425712512 927405994 /nfs/dbraw/zinc/40/59/94/927405994.db2.gz LCAXFEWTJSEDPS-NEPJUHHUSA-N 2 2 300.403 -1.328 20 0 DAADLP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425743984 927419506 /nfs/dbraw/zinc/41/95/06/927419506.db2.gz ZSYKYPHMVOSDEI-ZYHUDNBSSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425743984 927419514 /nfs/dbraw/zinc/41/95/14/927419514.db2.gz ZSYKYPHMVOSDEI-ZYHUDNBSSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425743981 927420035 /nfs/dbraw/zinc/42/00/35/927420035.db2.gz ZSYKYPHMVOSDEI-PWSUYJOCSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425743981 927420041 /nfs/dbraw/zinc/42/00/41/927420041.db2.gz ZSYKYPHMVOSDEI-PWSUYJOCSA-N 2 2 312.374 -2.288 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ncnn2C)CC[N@@H+]1C ZINC001425765139 927433806 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Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001425839597 927470524 /nfs/dbraw/zinc/47/05/24/927470524.db2.gz UPRDTTXLYXWPNC-GHMZBOCLSA-N 2 2 311.390 -1.881 20 0 DAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425839597 927470530 /nfs/dbraw/zinc/47/05/30/927470530.db2.gz UPRDTTXLYXWPNC-GHMZBOCLSA-N 2 2 311.390 -1.881 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)C ZINC001425841483 927473161 /nfs/dbraw/zinc/47/31/61/927473161.db2.gz PIAIYPZMDPRKFO-LLVKDONJSA-N 2 2 311.386 -1.148 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425853468 927478744 /nfs/dbraw/zinc/47/87/44/927478744.db2.gz JTTSAURGZYOWPD-NEPJUHHUSA-N 2 2 309.370 -1.382 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001425891767 927489101 /nfs/dbraw/zinc/48/91/01/927489101.db2.gz HAFJCKVHVVGYKE-KOLCDFICSA-N 2 2 322.369 -1.013 20 0 DAADLP CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001426034739 927514474 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ZINC001427890263 927699672 /nfs/dbraw/zinc/69/96/72/927699672.db2.gz GOIGNLZHEIQGEZ-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001429276361 927855933 /nfs/dbraw/zinc/85/59/33/927855933.db2.gz DGYBHWDPKMCZNX-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001433285369 928208199 /nfs/dbraw/zinc/20/81/99/928208199.db2.gz KOQLUGZLYHYZLK-YPMHNXCESA-N 2 2 323.397 -1.492 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001433285369 928208207 /nfs/dbraw/zinc/20/82/07/928208207.db2.gz KOQLUGZLYHYZLK-YPMHNXCESA-N 2 2 323.397 -1.492 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482620 928355913 /nfs/dbraw/zinc/35/59/13/928355913.db2.gz PYBBGGJMHLTKSU-HBNTYKKESA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482620 928355927 /nfs/dbraw/zinc/35/59/27/928355927.db2.gz PYBBGGJMHLTKSU-HBNTYKKESA-N 2 2 302.375 -2.556 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001436735211 928410948 /nfs/dbraw/zinc/41/09/48/928410948.db2.gz IFKYXWCGHWFXRN-QWRGUYRKSA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001436735211 928410953 /nfs/dbraw/zinc/41/09/53/928410953.db2.gz IFKYXWCGHWFXRN-QWRGUYRKSA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001436735203 928411447 /nfs/dbraw/zinc/41/14/47/928411447.db2.gz IFKYXWCGHWFXRN-MNOVXSKESA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001436735203 928411452 /nfs/dbraw/zinc/41/14/52/928411452.db2.gz IFKYXWCGHWFXRN-MNOVXSKESA-N 2 2 322.369 -1.035 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436968306 928420847 /nfs/dbraw/zinc/42/08/47/928420847.db2.gz CROILNPSDMTDTC-DTORHVGOSA-N 2 2 308.342 -1.355 20 0 DAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001437219453 928435428 /nfs/dbraw/zinc/43/54/28/928435428.db2.gz ITAGASHYFJIMKS-SNVBAGLBSA-N 2 2 317.415 -1.062 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437315831 928445535 /nfs/dbraw/zinc/44/55/35/928445535.db2.gz XQIOXWNAHDHUMQ-VIFPVBQESA-N 2 2 308.342 -1.415 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586853 928465216 /nfs/dbraw/zinc/46/52/16/928465216.db2.gz CDKXAHVYYVXRQS-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586853 928465220 /nfs/dbraw/zinc/46/52/20/928465220.db2.gz CDKXAHVYYVXRQS-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586853 928465222 /nfs/dbraw/zinc/46/52/22/928465222.db2.gz CDKXAHVYYVXRQS-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586853 928465225 /nfs/dbraw/zinc/46/52/25/928465225.db2.gz CDKXAHVYYVXRQS-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586855 928465446 /nfs/dbraw/zinc/46/54/46/928465446.db2.gz CDKXAHVYYVXRQS-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586855 928465455 /nfs/dbraw/zinc/46/54/55/928465455.db2.gz CDKXAHVYYVXRQS-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586855 928465464 /nfs/dbraw/zinc/46/54/64/928465464.db2.gz CDKXAHVYYVXRQS-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586855 928465473 /nfs/dbraw/zinc/46/54/73/928465473.db2.gz CDKXAHVYYVXRQS-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001438162398 928503959 /nfs/dbraw/zinc/50/39/59/928503959.db2.gz QBKYSFXGDDFAEJ-JSGCOSHPSA-N 2 2 324.425 -1.109 20 0 DAADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001438781193 928533999 /nfs/dbraw/zinc/53/39/99/928533999.db2.gz YCVMGOHIFRYOEI-VHSXEESVSA-N 2 2 322.369 -1.026 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001438974673 928549806 /nfs/dbraw/zinc/54/98/06/928549806.db2.gz YARHOMFGOYCILD-RYUDHWBXSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001438974673 928549816 /nfs/dbraw/zinc/54/98/16/928549816.db2.gz YARHOMFGOYCILD-RYUDHWBXSA-N 2 2 311.386 -1.683 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001439009035 928572250 /nfs/dbraw/zinc/57/22/50/928572250.db2.gz NBWJUFWJQWUYFH-WDEREUQCSA-N 2 2 309.370 -1.742 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001439010816 928575012 /nfs/dbraw/zinc/57/50/12/928575012.db2.gz HTGLHQURESTRKI-LLVKDONJSA-N 2 2 307.358 -1.413 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001439012174 928575522 /nfs/dbraw/zinc/57/55/22/928575522.db2.gz KBUGMPCWBDZAKH-JTQLQIEISA-N 2 2 323.357 -2.120 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001439016725 928577370 /nfs/dbraw/zinc/57/73/70/928577370.db2.gz LEEMQHZFFMIQEV-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001439024481 928580764 /nfs/dbraw/zinc/58/07/64/928580764.db2.gz CHUPMXDQBKAUTC-GFCCVEGCSA-N 2 2 311.386 -1.114 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001439041911 928588722 /nfs/dbraw/zinc/58/87/22/928588722.db2.gz AVSUSEFDHLMGFS-CMPLNLGQSA-N 2 2 311.386 -1.494 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001439055652 928594356 /nfs/dbraw/zinc/59/43/56/928594356.db2.gz KSJLUYHTYFSFJC-OLZOCXBDSA-N 2 2 323.397 -1.134 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NC)C1 ZINC001439407680 928619779 /nfs/dbraw/zinc/61/97/79/928619779.db2.gz NYHUZEXEMNVUOQ-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NC)C1 ZINC001439407680 928619784 /nfs/dbraw/zinc/61/97/84/928619784.db2.gz NYHUZEXEMNVUOQ-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC)C1 ZINC001439407680 928619788 /nfs/dbraw/zinc/61/97/88/928619788.db2.gz NYHUZEXEMNVUOQ-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC)C1 ZINC001439407680 928619791 /nfs/dbraw/zinc/61/97/91/928619791.db2.gz NYHUZEXEMNVUOQ-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837464 928646440 /nfs/dbraw/zinc/64/64/40/928646440.db2.gz YJYUCEFEKZBMGG-YGRLFVJLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837464 928646447 /nfs/dbraw/zinc/64/64/47/928646447.db2.gz YJYUCEFEKZBMGG-YGRLFVJLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439837464 928646454 /nfs/dbraw/zinc/64/64/54/928646454.db2.gz YJYUCEFEKZBMGG-YGRLFVJLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439837464 928646459 /nfs/dbraw/zinc/64/64/59/928646459.db2.gz YJYUCEFEKZBMGG-YGRLFVJLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001440016077 928665354 /nfs/dbraw/zinc/66/53/54/928665354.db2.gz YVOLHENSPJNDII-BBRMVZONSA-N 2 2 324.425 -1.230 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001440016077 928665364 /nfs/dbraw/zinc/66/53/64/928665364.db2.gz YVOLHENSPJNDII-BBRMVZONSA-N 2 2 324.425 -1.230 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001440016089 928665938 /nfs/dbraw/zinc/66/59/38/928665938.db2.gz YVOLHENSPJNDII-XJKSGUPXSA-N 2 2 324.425 -1.230 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001440016089 928665945 /nfs/dbraw/zinc/66/59/45/928665945.db2.gz YVOLHENSPJNDII-XJKSGUPXSA-N 2 2 324.425 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001440014353 928667302 /nfs/dbraw/zinc/66/73/02/928667302.db2.gz WAJUGIQQJXOCHC-CYBMUJFWSA-N 2 2 321.443 -1.464 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001440014353 928667311 /nfs/dbraw/zinc/66/73/11/928667311.db2.gz WAJUGIQQJXOCHC-CYBMUJFWSA-N 2 2 321.443 -1.464 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001440019943 928669359 /nfs/dbraw/zinc/66/93/59/928669359.db2.gz CVPYGLOPZJXGMQ-DOMZBBRYSA-N 2 2 310.398 -1.476 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001440019943 928669364 /nfs/dbraw/zinc/66/93/64/928669364.db2.gz CVPYGLOPZJXGMQ-DOMZBBRYSA-N 2 2 310.398 -1.476 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440027920 928673034 /nfs/dbraw/zinc/67/30/34/928673034.db2.gz AHTQAPGFUWRUCA-WFASDCNBSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440027920 928673042 /nfs/dbraw/zinc/67/30/42/928673042.db2.gz AHTQAPGFUWRUCA-WFASDCNBSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440111020 928696766 /nfs/dbraw/zinc/69/67/66/928696766.db2.gz BETDUVYRFKHLOS-VHSXEESVSA-N 2 2 322.369 -1.026 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@]2(CO)CCC[N@H+](CC(N)=O)C2)CC1 ZINC001440183751 928701635 /nfs/dbraw/zinc/70/16/35/928701635.db2.gz MTIOLQUEPFQCFH-OAHLLOKOSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@]2(CO)CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001440183751 928701644 /nfs/dbraw/zinc/70/16/44/928701644.db2.gz MTIOLQUEPFQCFH-OAHLLOKOSA-N 2 2 312.414 -1.243 20 0 DAADLP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CCn2cc[nH+]c2)C1=O ZINC001440202299 928703975 /nfs/dbraw/zinc/70/39/75/928703975.db2.gz ABARTMPGBDXIKJ-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001440205285 928705921 /nfs/dbraw/zinc/70/59/21/928705921.db2.gz KVKYVADQIQQEKA-LLVKDONJSA-N 2 2 311.386 -1.161 20 0 DAADLP O=C(CCn1cc[nH+]c1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001440207505 928706534 /nfs/dbraw/zinc/70/65/34/928706534.db2.gz OGSWKYQGIQBAIG-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001440207523 928706950 /nfs/dbraw/zinc/70/69/50/928706950.db2.gz QKDWTDCWLGFYFU-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440454140 928723967 /nfs/dbraw/zinc/72/39/67/928723967.db2.gz SQWRSPWUMJXXCX-ZDUSSCGKSA-N 2 2 312.414 -1.147 20 0 DAADLP NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440454140 928723974 /nfs/dbraw/zinc/72/39/74/928723974.db2.gz SQWRSPWUMJXXCX-ZDUSSCGKSA-N 2 2 312.414 -1.147 20 0 DAADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(N)=O ZINC001440422359 928724123 /nfs/dbraw/zinc/72/41/23/928724123.db2.gz XLDYEJQSMMONPD-DGCLKSJQSA-N 2 2 323.397 -1.099 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001440594867 928732985 /nfs/dbraw/zinc/73/29/85/928732985.db2.gz DWGMTESQNYDELH-GXSJLCMTSA-N 2 2 322.369 -1.406 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001440705570 928740569 /nfs/dbraw/zinc/74/05/69/928740569.db2.gz QOZWLRMWHQJCFR-LBPRGKRZSA-N 2 2 312.414 -1.101 20 0 DAADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001440851188 928745560 /nfs/dbraw/zinc/74/55/60/928745560.db2.gz ZJPPZDJZWMTSPX-DTWKUNHWSA-N 2 2 310.358 -1.360 20 0 DAADLP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001441324583 928782475 /nfs/dbraw/zinc/78/24/75/928782475.db2.gz BFAOKFOPCMYZCT-RYUDHWBXSA-N 2 2 309.370 -1.165 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001441609267 928799978 /nfs/dbraw/zinc/79/99/78/928799978.db2.gz UPYZXOZMYHUBBF-JTQLQIEISA-N 2 2 322.369 -1.025 20 0 DAADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001441657070 928804738 /nfs/dbraw/zinc/80/47/38/928804738.db2.gz WTFZQNRFRDMFML-VIFPVBQESA-N 2 2 310.358 -1.406 20 0 DAADLP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001441698261 928819661 /nfs/dbraw/zinc/81/96/61/928819661.db2.gz NNRRYJYPXURFOV-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001441698261 928819679 /nfs/dbraw/zinc/81/96/79/928819679.db2.gz NNRRYJYPXURFOV-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CCO)[nH]n1 ZINC001441697473 928821520 /nfs/dbraw/zinc/82/15/20/928821520.db2.gz PLDBYANGVGEJLL-GWCFXTLKSA-N 2 2 311.386 -1.151 20 0 DAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CCO)[nH]n1 ZINC001441697473 928821530 /nfs/dbraw/zinc/82/15/30/928821530.db2.gz PLDBYANGVGEJLL-GWCFXTLKSA-N 2 2 311.386 -1.151 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001441702669 928822438 /nfs/dbraw/zinc/82/24/38/928822438.db2.gz VVLDWHOMTWAWTO-RYUDHWBXSA-N 2 2 316.402 -2.092 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001441702669 928822456 /nfs/dbraw/zinc/82/24/56/928822456.db2.gz VVLDWHOMTWAWTO-RYUDHWBXSA-N 2 2 316.402 -2.092 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001441704346 928827013 /nfs/dbraw/zinc/82/70/13/928827013.db2.gz HZNFVRFDKHEWER-WDEREUQCSA-N 2 2 311.386 -1.133 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001441717713 928836594 /nfs/dbraw/zinc/83/65/94/928836594.db2.gz RDHPOAQSMJTKCH-RYUDHWBXSA-N 2 2 300.403 -1.374 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001441717713 928836611 /nfs/dbraw/zinc/83/66/11/928836611.db2.gz RDHPOAQSMJTKCH-RYUDHWBXSA-N 2 2 300.403 -1.374 20 0 DAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001441724249 928840432 /nfs/dbraw/zinc/84/04/32/928840432.db2.gz MNWDKOFVUZXBSM-NEPJUHHUSA-N 2 2 311.386 -1.183 20 0 DAADLP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001441726175 928843207 /nfs/dbraw/zinc/84/32/07/928843207.db2.gz UBLDEYCUTBGSGV-NSHDSACASA-N 2 2 307.358 -1.331 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001441760196 928853916 /nfs/dbraw/zinc/85/39/16/928853916.db2.gz YLGFPLRKWIEAHM-QJPTWQEYSA-N 2 2 323.397 -1.322 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001441760194 928854140 /nfs/dbraw/zinc/85/41/40/928854140.db2.gz YLGFPLRKWIEAHM-IJLUTSLNSA-N 2 2 323.397 -1.322 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441787425 928865812 /nfs/dbraw/zinc/86/58/12/928865812.db2.gz FNTARTXTFYLVHY-GFCCVEGCSA-N 2 2 307.358 -1.413 20 0 DAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001441801551 928869458 /nfs/dbraw/zinc/86/94/58/928869458.db2.gz SUDNTMURWQPWGQ-WDEREUQCSA-N 2 2 311.390 -1.566 20 0 DAADLP CS(=O)(=O)CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001441799650 928870560 /nfs/dbraw/zinc/87/05/60/928870560.db2.gz MIMCIQYIZJITHJ-SNVBAGLBSA-N 2 2 304.372 -2.006 20 0 DAADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001441933584 928883346 /nfs/dbraw/zinc/88/33/46/928883346.db2.gz QPFOJMLJGGNEED-SNVBAGLBSA-N 2 2 322.369 -1.026 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001442009869 928904525 /nfs/dbraw/zinc/90/45/25/928904525.db2.gz CHQPOLCVTGNMOW-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001442004083 928904611 /nfs/dbraw/zinc/90/46/11/928904611.db2.gz SMTMPOICDIZGQV-WDEREUQCSA-N 2 2 309.370 -1.660 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001442004910 928905754 /nfs/dbraw/zinc/90/57/54/928905754.db2.gz XAKWELOGRQBNKK-LBPRGKRZSA-N 2 2 321.385 -1.071 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001442009882 928906333 /nfs/dbraw/zinc/90/63/33/928906333.db2.gz CHQPOLCVTGNMOW-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001442025060 928908917 /nfs/dbraw/zinc/90/89/17/928908917.db2.gz SKMUQWDOEZIKBA-MNOVXSKESA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001442064744 928919224 /nfs/dbraw/zinc/91/92/24/928919224.db2.gz VTCCLAUJFGXPKZ-RYUDHWBXSA-N 2 2 309.370 -1.477 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001442064743 928920562 /nfs/dbraw/zinc/92/05/62/928920562.db2.gz VTCCLAUJFGXPKZ-NWDGAFQWSA-N 2 2 309.370 -1.477 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001442064742 928921456 /nfs/dbraw/zinc/92/14/56/928921456.db2.gz VTCCLAUJFGXPKZ-NEPJUHHUSA-N 2 2 309.370 -1.477 20 0 DAADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC001442377102 928942993 /nfs/dbraw/zinc/94/29/93/928942993.db2.gz KKTKGEVYNUNYAG-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC001442377102 928942999 /nfs/dbraw/zinc/94/29/99/928942999.db2.gz KKTKGEVYNUNYAG-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N1CCOCC1 ZINC001442377102 928943009 /nfs/dbraw/zinc/94/30/09/928943009.db2.gz KKTKGEVYNUNYAG-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N1CCOCC1 ZINC001442377102 928943024 /nfs/dbraw/zinc/94/30/24/928943024.db2.gz KKTKGEVYNUNYAG-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001442596465 928956775 /nfs/dbraw/zinc/95/67/75/928956775.db2.gz BHYNREQIOQMWKO-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001442596465 928956785 /nfs/dbraw/zinc/95/67/85/928956785.db2.gz BHYNREQIOQMWKO-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001442596465 928956794 /nfs/dbraw/zinc/95/67/94/928956794.db2.gz BHYNREQIOQMWKO-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001442596465 928956805 /nfs/dbraw/zinc/95/68/05/928956805.db2.gz BHYNREQIOQMWKO-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP C[C@H](C(N)=O)N1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001443281295 928998887 /nfs/dbraw/zinc/99/88/87/928998887.db2.gz FBSKWWFBBKAHEV-CYBMUJFWSA-N 2 2 313.446 -1.112 20 0 DAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443795280 929027144 /nfs/dbraw/zinc/02/71/44/929027144.db2.gz MAZJFEXTHXVKLJ-QWRGUYRKSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443795280 929027155 /nfs/dbraw/zinc/02/71/55/929027155.db2.gz MAZJFEXTHXVKLJ-QWRGUYRKSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001443795280 929027169 /nfs/dbraw/zinc/02/71/69/929027169.db2.gz MAZJFEXTHXVKLJ-QWRGUYRKSA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001443795280 929027182 /nfs/dbraw/zinc/02/71/82/929027182.db2.gz MAZJFEXTHXVKLJ-QWRGUYRKSA-N 2 2 311.386 -1.192 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181794 929078237 /nfs/dbraw/zinc/07/82/37/929078237.db2.gz AELOJQZEOQCFHF-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181794 929078241 /nfs/dbraw/zinc/07/82/41/929078241.db2.gz AELOJQZEOQCFHF-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181794 929078246 /nfs/dbraw/zinc/07/82/46/929078246.db2.gz AELOJQZEOQCFHF-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181794 929078252 /nfs/dbraw/zinc/07/82/52/929078252.db2.gz AELOJQZEOQCFHF-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001444251541 929095039 /nfs/dbraw/zinc/09/50/39/929095039.db2.gz AUPUDWFKHVTAIL-SNVBAGLBSA-N 2 2 308.342 -1.341 20 0 DAADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444675065 929144399 /nfs/dbraw/zinc/14/43/99/929144399.db2.gz BUHBOZQLNOIVGP-BDAKNGLRSA-N 2 2 310.358 -1.028 20 0 DAADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001444675068 929144554 /nfs/dbraw/zinc/14/45/54/929144554.db2.gz BUHBOZQLNOIVGP-DTWKUNHWSA-N 2 2 310.358 -1.028 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001445185561 929177725 /nfs/dbraw/zinc/17/77/25/929177725.db2.gz KGROWGZQZSLNIM-HBNTYKKESA-N 2 2 309.370 -1.284 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001445275122 929210309 /nfs/dbraw/zinc/21/03/09/929210309.db2.gz SJCLPOHSYMUBMQ-QWRGUYRKSA-N 2 2 311.390 -1.566 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001445282084 929211543 /nfs/dbraw/zinc/21/15/43/929211543.db2.gz XKKHVULQEYIKEY-QWRGUYRKSA-N 2 2 309.370 -1.360 20 0 DAADLP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001445282806 929215045 /nfs/dbraw/zinc/21/50/45/929215045.db2.gz YFYCBOMMJIKUFK-ZDUSSCGKSA-N 2 2 321.385 -1.159 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445432359 929221423 /nfs/dbraw/zinc/22/14/23/929221423.db2.gz MDQCKCVGPQWNHZ-OPRDCNLKSA-N 2 2 322.369 -1.187 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001445528977 929234546 /nfs/dbraw/zinc/23/45/46/929234546.db2.gz JMTNRVPWKJWUCM-VXGBXAGGSA-N 2 2 309.370 -1.477 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445613351 929239265 /nfs/dbraw/zinc/23/92/65/929239265.db2.gz FTPVUIILTWCFKG-JTQLQIEISA-N 2 2 322.369 -1.995 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001445658875 929248207 /nfs/dbraw/zinc/24/82/07/929248207.db2.gz GCKMWSWFRLGBJF-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001446217017 929281816 /nfs/dbraw/zinc/28/18/16/929281816.db2.gz XPWALAZOWRHDJQ-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001446453065 929294304 /nfs/dbraw/zinc/29/43/04/929294304.db2.gz QAOLEUVURLLOKM-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446781774 929319803 /nfs/dbraw/zinc/31/98/03/929319803.db2.gz YUXHBCKNHZHYTP-IUODEOHRSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446781774 929319813 /nfs/dbraw/zinc/31/98/13/929319813.db2.gz YUXHBCKNHZHYTP-IUODEOHRSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001446816502 929325670 /nfs/dbraw/zinc/32/56/70/929325670.db2.gz LWBFFLLADMQLGF-HNNXBMFYSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001446816502 929325683 /nfs/dbraw/zinc/32/56/83/929325683.db2.gz LWBFFLLADMQLGF-HNNXBMFYSA-N 2 2 321.381 -1.285 20 0 DAADLP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001447062852 929367045 /nfs/dbraw/zinc/36/70/45/929367045.db2.gz WVZIASUKTSOIDR-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001447062852 929367051 /nfs/dbraw/zinc/36/70/51/929367051.db2.gz WVZIASUKTSOIDR-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP O=C(CCn1cc[nH+]c1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001447060834 929368081 /nfs/dbraw/zinc/36/80/81/929368081.db2.gz IODKMEIFMHPGJA-CYBMUJFWSA-N 2 2 323.397 -1.038 20 0 DAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001447298746 929383178 /nfs/dbraw/zinc/38/31/78/929383178.db2.gz FIMYJTMTKDRJCI-GFCCVEGCSA-N 2 2 309.370 -1.034 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001447309304 929383476 /nfs/dbraw/zinc/38/34/76/929383476.db2.gz PWHMIFLEUZMKLZ-WCQYABFASA-N 2 2 323.397 -1.086 20 0 DAADLP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)CCC1 ZINC001448843925 929492422 /nfs/dbraw/zinc/49/24/22/929492422.db2.gz NZNYQWUMUAGFEF-LLVKDONJSA-N 2 2 321.443 -1.418 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001448847030 929492822 /nfs/dbraw/zinc/49/28/22/929492822.db2.gz UUAURJAAXQDHOS-LLVKDONJSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001448847030 929492830 /nfs/dbraw/zinc/49/28/30/929492830.db2.gz UUAURJAAXQDHOS-LLVKDONJSA-N 2 2 310.402 -1.134 20 0 DAADLP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001448878341 929505069 /nfs/dbraw/zinc/50/50/69/929505069.db2.gz SWKRBWCALYUNPM-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001448895790 929511642 /nfs/dbraw/zinc/51/16/42/929511642.db2.gz YUVFQWLJJHPXSW-LBPRGKRZSA-N 2 2 310.402 -1.276 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001448919434 929516043 /nfs/dbraw/zinc/51/60/43/929516043.db2.gz JQWJMTVFZIQVLB-RYUDHWBXSA-N 2 2 323.397 -1.065 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001448919338 929517200 /nfs/dbraw/zinc/51/72/00/929517200.db2.gz JQWJMTVFZIQVLB-NEPJUHHUSA-N 2 2 323.397 -1.065 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001448947918 929522064 /nfs/dbraw/zinc/52/20/64/929522064.db2.gz ORXNHTZMFCULJH-YPMHNXCESA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001448947918 929522074 /nfs/dbraw/zinc/52/20/74/929522074.db2.gz ORXNHTZMFCULJH-YPMHNXCESA-N 2 2 310.402 -1.276 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946617 929522552 /nfs/dbraw/zinc/52/25/52/929522552.db2.gz DVVIXLUGZCYZPX-VXGBXAGGSA-N 2 2 316.402 -2.138 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946617 929522560 /nfs/dbraw/zinc/52/25/60/929522560.db2.gz DVVIXLUGZCYZPX-VXGBXAGGSA-N 2 2 316.402 -2.138 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001448952750 929524767 /nfs/dbraw/zinc/52/47/67/929524767.db2.gz OYRLKOBCHHWNHO-GHMZBOCLSA-N 2 2 313.406 -1.322 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)c1nnnn1C ZINC001448952750 929524778 /nfs/dbraw/zinc/52/47/78/929524778.db2.gz OYRLKOBCHHWNHO-GHMZBOCLSA-N 2 2 313.406 -1.322 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001448950079 929525095 /nfs/dbraw/zinc/52/50/95/929525095.db2.gz TULLXFACBFRJLI-NSHDSACASA-N 2 2 324.385 -1.946 20 0 DAADLP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001448957809 929527752 /nfs/dbraw/zinc/52/77/52/929527752.db2.gz SHDYRRAMGHRKMG-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001448957803 929528910 /nfs/dbraw/zinc/52/89/10/929528910.db2.gz SHDYRRAMGHRKMG-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCn1cc[nH+]c1 ZINC001449129851 929548833 /nfs/dbraw/zinc/54/88/33/929548833.db2.gz DZRJBDBJYYJNCN-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001449132572 929549737 /nfs/dbraw/zinc/54/97/37/929549737.db2.gz MOQSOHBICMXJPK-VXGBXAGGSA-N 2 2 323.397 -1.400 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001449154391 929555646 /nfs/dbraw/zinc/55/56/46/929555646.db2.gz BMGCJEPPQHASGW-VHSXEESVSA-N 2 2 311.386 -1.030 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214494 929569295 /nfs/dbraw/zinc/56/92/95/929569295.db2.gz NSSYNNHKAYHRIT-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214494 929569300 /nfs/dbraw/zinc/56/93/00/929569300.db2.gz NSSYNNHKAYHRIT-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001449396189 929584455 /nfs/dbraw/zinc/58/44/55/929584455.db2.gz HVZAOWRTSRMLPQ-UHFFFAOYSA-N 2 2 308.342 -1.274 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001513583702 929641456 /nfs/dbraw/zinc/64/14/56/929641456.db2.gz WTYPJVKUCFYPCJ-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001513583702 929641467 /nfs/dbraw/zinc/64/14/67/929641467.db2.gz WTYPJVKUCFYPCJ-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001513620448 929643345 /nfs/dbraw/zinc/64/33/45/929643345.db2.gz GURWVXWNUWSPBY-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001513620448 929643353 /nfs/dbraw/zinc/64/33/53/929643353.db2.gz GURWVXWNUWSPBY-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP [NH3+]CCNCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001521454161 929661282 /nfs/dbraw/zinc/66/12/82/929661282.db2.gz FDXYJHOVFBSUEM-ZDUSSCGKSA-N 2 2 302.444 -1.141 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087567 929666325 /nfs/dbraw/zinc/66/63/25/929666325.db2.gz UFJUMHCRFYSRBI-ZFWWWQNUSA-N 2 2 307.442 -1.167 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087567 929666331 /nfs/dbraw/zinc/66/63/31/929666331.db2.gz UFJUMHCRFYSRBI-ZFWWWQNUSA-N 2 2 307.442 -1.167 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087558 929666630 /nfs/dbraw/zinc/66/66/30/929666630.db2.gz UFJUMHCRFYSRBI-DZGCQCFKSA-N 2 2 307.442 -1.167 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087558 929666638 /nfs/dbraw/zinc/66/66/38/929666638.db2.gz UFJUMHCRFYSRBI-DZGCQCFKSA-N 2 2 307.442 -1.167 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001522674560 929691940 /nfs/dbraw/zinc/69/19/40/929691940.db2.gz FVZDJQJFUBDZCU-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001522674560 929691948 /nfs/dbraw/zinc/69/19/48/929691948.db2.gz FVZDJQJFUBDZCU-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001548647525 930032720 /nfs/dbraw/zinc/03/27/20/930032720.db2.gz VMTDXXOAWRBNNZ-JHJVBQTASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001548647525 930032731 /nfs/dbraw/zinc/03/27/31/930032731.db2.gz VMTDXXOAWRBNNZ-JHJVBQTASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001548647525 930032737 /nfs/dbraw/zinc/03/27/37/930032737.db2.gz VMTDXXOAWRBNNZ-JHJVBQTASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001548647525 930032750 /nfs/dbraw/zinc/03/27/50/930032750.db2.gz VMTDXXOAWRBNNZ-JHJVBQTASA-N 2 2 309.414 -1.559 20 0 DAADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549301149 930051937 /nfs/dbraw/zinc/05/19/37/930051937.db2.gz PPAQIBVXDPDBCC-SRVKXCTJSA-N 2 2 310.398 -1.051 20 0 DAADLP Cn1cnc([C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]2[NH3+])c1 ZINC001549735983 930058211 /nfs/dbraw/zinc/05/82/11/930058211.db2.gz NYERQQXXQQTDPI-WDEREUQCSA-N 2 2 306.370 -1.895 20 0 DAADLP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1n1ccnn1 ZINC001549672683 930058996 /nfs/dbraw/zinc/05/89/96/930058996.db2.gz MJORKUNERLZVJM-UPJWGTAASA-N 2 2 308.386 -1.078 20 0 DAADLP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1n1ccnn1 ZINC001549672683 930059007 /nfs/dbraw/zinc/05/90/07/930059007.db2.gz MJORKUNERLZVJM-UPJWGTAASA-N 2 2 308.386 -1.078 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]CCC12CCOCC2 ZINC001551464823 930067520 /nfs/dbraw/zinc/06/75/20/930067520.db2.gz ZRGHPPASEXOPBB-UHFFFAOYSA-N 2 2 310.398 -1.211 20 0 DAADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000563718592 334942210 /nfs/dbraw/zinc/94/22/10/334942210.db2.gz VCBLDHGQUPOEKX-FRRDWIJNSA-N 2 2 310.398 -1.227 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001191785783 781924465 /nfs/dbraw/zinc/92/44/65/781924465.db2.gz TYZYCLFYZJYHKJ-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001191785783 781924471 /nfs/dbraw/zinc/92/44/71/781924471.db2.gz TYZYCLFYZJYHKJ-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191785783 781924477 /nfs/dbraw/zinc/92/44/77/781924477.db2.gz TYZYCLFYZJYHKJ-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191785783 781924484 /nfs/dbraw/zinc/92/44/84/781924484.db2.gz TYZYCLFYZJYHKJ-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP CN(C)c1[nH+]cc(C[NH2+]CCNS(=O)(=O)N(C)C)n1C ZINC000331239910 545703445 /nfs/dbraw/zinc/70/34/45/545703445.db2.gz KUMWTRPBUIRMRQ-UHFFFAOYSA-N 2 2 304.420 -1.028 20 0 DAADLP CNc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@H](C)C[NH+](C)C)[nH+]1 ZINC000343807437 545707311 /nfs/dbraw/zinc/70/73/11/545707311.db2.gz OFKKWZXIRFGYSK-GHMZBOCLSA-N 3 2 310.450 -1.097 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(C(C)=O)CC2)C1 ZINC000350951596 545720368 /nfs/dbraw/zinc/72/03/68/545720368.db2.gz QFRQWKBVNDECKG-CQSZACIVSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(C(C)=O)CC2)C1 ZINC000350951596 545720376 /nfs/dbraw/zinc/72/03/76/545720376.db2.gz QFRQWKBVNDECKG-CQSZACIVSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000236955598 202092038 /nfs/dbraw/zinc/09/20/38/202092038.db2.gz ZDUHXNYNILXHSR-CYBMUJFWSA-N 2 2 312.414 -1.107 20 0 DAADLP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830742 545746986 /nfs/dbraw/zinc/74/69/86/545746986.db2.gz MJBGNJHJANCQBP-LLVKDONJSA-N 2 2 309.370 -1.566 20 0 DAADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192013181 781938478 /nfs/dbraw/zinc/93/84/78/781938478.db2.gz LLKOKQBNERTGOR-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192013181 781938485 /nfs/dbraw/zinc/93/84/85/781938485.db2.gz LLKOKQBNERTGOR-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192013181 781938496 /nfs/dbraw/zinc/93/84/96/781938496.db2.gz LLKOKQBNERTGOR-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192013181 781938503 /nfs/dbraw/zinc/93/85/03/781938503.db2.gz LLKOKQBNERTGOR-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192012149 781939002 /nfs/dbraw/zinc/93/90/02/781939002.db2.gz HMVVSPXLDMWTDW-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192012149 781939016 /nfs/dbraw/zinc/93/90/16/781939016.db2.gz HMVVSPXLDMWTDW-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001192012149 781939027 /nfs/dbraw/zinc/93/90/27/781939027.db2.gz HMVVSPXLDMWTDW-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001192012149 781939038 /nfs/dbraw/zinc/93/90/38/781939038.db2.gz HMVVSPXLDMWTDW-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001192012199 781939588 /nfs/dbraw/zinc/93/95/88/781939588.db2.gz IPIPWECQRBCPLY-UPJWGTAASA-N 2 2 317.386 -2.513 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001192012199 781939598 /nfs/dbraw/zinc/93/95/98/781939598.db2.gz IPIPWECQRBCPLY-UPJWGTAASA-N 2 2 317.386 -2.513 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001192012199 781939608 /nfs/dbraw/zinc/93/96/08/781939608.db2.gz IPIPWECQRBCPLY-UPJWGTAASA-N 2 2 317.386 -2.513 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001192012199 781939615 /nfs/dbraw/zinc/93/96/15/781939615.db2.gz IPIPWECQRBCPLY-UPJWGTAASA-N 2 2 317.386 -2.513 20 0 DAADLP C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000419683321 545768064 /nfs/dbraw/zinc/76/80/64/545768064.db2.gz KKCJJKKYHMCFQR-ZJUUUORDSA-N 2 2 322.356 -1.078 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423630308 545772425 /nfs/dbraw/zinc/77/24/25/545772425.db2.gz YMASEKWUSSROMY-OLZOCXBDSA-N 2 2 312.414 -1.149 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423611259 545772763 /nfs/dbraw/zinc/77/27/63/545772763.db2.gz NPCMGGUAUIJAGV-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423626198 545773222 /nfs/dbraw/zinc/77/32/22/545773222.db2.gz FLLUAEZRLUTNGY-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423632629 545773381 /nfs/dbraw/zinc/77/33/81/545773381.db2.gz OJSHWHYPUDLLRM-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP O=C([C@H]1CSC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424027768 545775624 /nfs/dbraw/zinc/77/56/24/545775624.db2.gz MXGKKJOZUXOFEZ-SNVBAGLBSA-N 2 2 320.440 -1.905 20 0 DAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424155610 545776432 /nfs/dbraw/zinc/77/64/32/545776432.db2.gz NAMJGLRJLJCRPD-XQQFMLRXSA-N 2 2 310.398 -1.275 20 0 DAADLP CNc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000443447281 545779530 /nfs/dbraw/zinc/77/95/30/545779530.db2.gz RBOWIWCQWQEEKS-QWRGUYRKSA-N 3 2 310.450 -1.097 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000583942892 372764340 /nfs/dbraw/zinc/76/43/40/372764340.db2.gz RHCFPFNWUMPELD-CYBMUJFWSA-N 2 2 323.459 -1.074 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000583942892 372764346 /nfs/dbraw/zinc/76/43/46/372764346.db2.gz RHCFPFNWUMPELD-CYBMUJFWSA-N 2 2 323.459 -1.074 20 0 DAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[NH+]1CCOCC1 ZINC000383731221 372766540 /nfs/dbraw/zinc/76/65/40/372766540.db2.gz YXWYWWOEHDPABE-LBPRGKRZSA-N 2 2 307.416 -1.384 20 0 DAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000642715380 372786426 /nfs/dbraw/zinc/78/64/26/372786426.db2.gz WMLJWSKECVQHEA-XQQFMLRXSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000642715380 372786429 /nfs/dbraw/zinc/78/64/29/372786429.db2.gz WMLJWSKECVQHEA-XQQFMLRXSA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)C[C@@H](C)O1 ZINC000584113283 372819276 /nfs/dbraw/zinc/81/92/76/372819276.db2.gz KEHVWQCXGKBFCE-AAVRWANBSA-N 2 2 313.402 -1.301 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)C[C@H](C)O1 ZINC000584113284 372819557 /nfs/dbraw/zinc/81/95/57/372819557.db2.gz KEHVWQCXGKBFCE-RQJABVFESA-N 2 2 313.402 -1.301 20 0 DAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)C[C@H](C)O1 ZINC000584113284 372819564 /nfs/dbraw/zinc/81/95/64/372819564.db2.gz KEHVWQCXGKBFCE-RQJABVFESA-N 2 2 313.402 -1.301 20 0 DAADLP COCC[NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000237161248 372855013 /nfs/dbraw/zinc/85/50/13/372855013.db2.gz LBXOUKTWYHASTK-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627358628 372869735 /nfs/dbraw/zinc/86/97/35/372869735.db2.gz OGUBOYIEZZTVBT-GFCCVEGCSA-N 2 2 316.402 -1.743 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000561415618 372872825 /nfs/dbraw/zinc/87/28/25/372872825.db2.gz ADWCKQWCNQDKAK-ZDUSSCGKSA-N 2 2 321.381 -1.068 20 0 DAADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204224 372889566 /nfs/dbraw/zinc/88/95/66/372889566.db2.gz IGVMRLILNDHRMJ-NSHDSACASA-N 2 2 304.416 -1.616 20 0 DAADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204224 372889576 /nfs/dbraw/zinc/88/95/76/372889576.db2.gz IGVMRLILNDHRMJ-NSHDSACASA-N 2 2 304.416 -1.616 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC1=O ZINC000087084139 372885731 /nfs/dbraw/zinc/88/57/31/372885731.db2.gz KBXSXTKWXIMVOK-ZDUSSCGKSA-N 2 2 312.414 -1.467 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000569834041 372906387 /nfs/dbraw/zinc/90/63/87/372906387.db2.gz USVFPUINAODBDC-MELADBBJSA-N 2 2 324.425 -1.027 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000570060842 372910009 /nfs/dbraw/zinc/91/00/09/372910009.db2.gz UESHMMVFUVHTBG-CHWSQXEVSA-N 3 2 309.414 -1.606 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000570060842 372910015 /nfs/dbraw/zinc/91/00/15/372910015.db2.gz UESHMMVFUVHTBG-CHWSQXEVSA-N 3 2 309.414 -1.606 20 0 DAADLP Cc1nnc(CN(C)CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1C ZINC000574915681 372919882 /nfs/dbraw/zinc/91/98/82/372919882.db2.gz UCLBLWBOCWGKEP-LBPRGKRZSA-N 2 2 309.418 -1.343 20 0 DAADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000575063176 372921557 /nfs/dbraw/zinc/92/15/57/372921557.db2.gz MFERTFOZWQBEEF-OLZOCXBDSA-N 2 2 322.413 -1.235 20 0 DAADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000575063176 372921561 /nfs/dbraw/zinc/92/15/61/372921561.db2.gz MFERTFOZWQBEEF-OLZOCXBDSA-N 2 2 322.413 -1.235 20 0 DAADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000575063178 372923039 /nfs/dbraw/zinc/92/30/39/372923039.db2.gz MFERTFOZWQBEEF-STQMWFEESA-N 2 2 322.413 -1.235 20 0 DAADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000575063178 372923048 /nfs/dbraw/zinc/92/30/48/372923048.db2.gz MFERTFOZWQBEEF-STQMWFEESA-N 2 2 322.413 -1.235 20 0 DAADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000592553960 372974238 /nfs/dbraw/zinc/97/42/38/372974238.db2.gz LAJHNIKVBSKRHX-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876361 372993424 /nfs/dbraw/zinc/99/34/24/372993424.db2.gz VOLWCIQJTNIVLW-SRVKXCTJSA-N 2 2 324.381 -1.606 20 0 DAADLP COC(=O)CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876361 372993434 /nfs/dbraw/zinc/99/34/34/372993434.db2.gz VOLWCIQJTNIVLW-SRVKXCTJSA-N 2 2 324.381 -1.606 20 0 DAADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876362 372994152 /nfs/dbraw/zinc/99/41/52/372994152.db2.gz VOLWCIQJTNIVLW-TUAOUCFPSA-N 2 2 324.381 -1.606 20 0 DAADLP COC(=O)CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876362 372994154 /nfs/dbraw/zinc/99/41/54/372994154.db2.gz VOLWCIQJTNIVLW-TUAOUCFPSA-N 2 2 324.381 -1.606 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@@H]1C ZINC000595955594 373005785 /nfs/dbraw/zinc/00/57/85/373005785.db2.gz GVRBIABTSRDGOI-NSHDSACASA-N 2 2 324.385 -1.054 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@@H]1C ZINC000595955594 373005794 /nfs/dbraw/zinc/00/57/94/373005794.db2.gz GVRBIABTSRDGOI-NSHDSACASA-N 2 2 324.385 -1.054 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595986052 373008050 /nfs/dbraw/zinc/00/80/50/373008050.db2.gz HSLXXBOZTXQNAJ-VXGBXAGGSA-N 2 2 323.397 -2.079 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016454 372987178 /nfs/dbraw/zinc/98/71/78/372987178.db2.gz XMKYRKYXQPJPAL-AGIUHOORSA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016454 372987182 /nfs/dbraw/zinc/98/71/82/372987182.db2.gz XMKYRKYXQPJPAL-AGIUHOORSA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016454 372987186 /nfs/dbraw/zinc/98/71/86/372987186.db2.gz XMKYRKYXQPJPAL-AGIUHOORSA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016454 372987198 /nfs/dbraw/zinc/98/71/98/372987198.db2.gz XMKYRKYXQPJPAL-AGIUHOORSA-N 2 2 304.387 -1.219 20 0 DAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 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C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000617764107 373278259 /nfs/dbraw/zinc/27/82/59/373278259.db2.gz IZPXGGXYNOLBPO-MGPQQGTHSA-N 2 2 315.414 -1.601 20 0 DAADLP COCCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000328664852 373253300 /nfs/dbraw/zinc/25/33/00/373253300.db2.gz BXSZUWPIPRPDTJ-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP COCCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000328664852 373253310 /nfs/dbraw/zinc/25/33/10/373253310.db2.gz BXSZUWPIPRPDTJ-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP C[NH+]1CCN(c2ncccc2CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623896193 373263388 /nfs/dbraw/zinc/26/33/88/373263388.db2.gz LKTUKPPOERWUKZ-UHFFFAOYSA-N 2 2 315.385 -1.122 20 0 DAADLP C[NH+]1CCN(c2ncccc2CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623896193 373263401 /nfs/dbraw/zinc/26/34/01/373263401.db2.gz LKTUKPPOERWUKZ-UHFFFAOYSA-N 2 2 315.385 -1.122 20 0 DAADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H](C)O1 ZINC000571821304 373328829 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-1.026 20 0 DAADLP CNS(=O)(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060040 373310200 /nfs/dbraw/zinc/31/02/00/373310200.db2.gz XMJQHDXAUNMAQG-UHFFFAOYSA-N 2 2 306.432 -1.369 20 0 DAADLP CNS(=O)(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060040 373310204 /nfs/dbraw/zinc/31/02/04/373310204.db2.gz XMJQHDXAUNMAQG-UHFFFAOYSA-N 2 2 306.432 -1.369 20 0 DAADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC000643476711 373316597 /nfs/dbraw/zinc/31/65/97/373316597.db2.gz LRJVBCBHWBOCRL-ZDUSSCGKSA-N 2 2 310.398 -1.259 20 0 DAADLP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000320510267 373330644 /nfs/dbraw/zinc/33/06/44/373330644.db2.gz COQQGHSUPBJOAK-JTQLQIEISA-N 2 2 322.417 -1.193 20 0 DAADLP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000320510267 373330650 /nfs/dbraw/zinc/33/06/50/373330650.db2.gz COQQGHSUPBJOAK-JTQLQIEISA-N 2 2 322.417 -1.193 20 0 DAADLP COC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262375623 373333672 /nfs/dbraw/zinc/33/36/72/373333672.db2.gz XCYPLOJUGCKTOV-NWDGAFQWSA-N 2 2 314.386 -1.991 20 0 DAADLP Cn1cc(N2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2=O)cn1 ZINC000262104104 373333915 /nfs/dbraw/zinc/33/39/15/373333915.db2.gz MGZSYPNCVPKDQY-UHFFFAOYSA-N 2 2 320.397 -1.109 20 0 DAADLP Cn1cc(N2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2=O)cn1 ZINC000262104104 373333921 /nfs/dbraw/zinc/33/39/21/373333921.db2.gz MGZSYPNCVPKDQY-UHFFFAOYSA-N 2 2 320.397 -1.109 20 0 DAADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000262429792 373334114 /nfs/dbraw/zinc/33/41/14/373334114.db2.gz SGMXDOVQAOIURU-UHFFFAOYSA-N 2 2 313.402 -1.926 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623210 373347573 /nfs/dbraw/zinc/34/75/73/373347573.db2.gz BNAZLQKVHKNZBJ-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423632630 373349016 /nfs/dbraw/zinc/34/90/16/373349016.db2.gz OJSHWHYPUDLLRM-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623212 373349723 /nfs/dbraw/zinc/34/97/23/373349723.db2.gz BNAZLQKVHKNZBJ-YNEHKIRRSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423620961 373349742 /nfs/dbraw/zinc/34/97/42/373349742.db2.gz KNQRDBQUTFACJS-UHFFFAOYSA-N 2 2 313.446 -1.240 20 0 DAADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423620961 373349752 /nfs/dbraw/zinc/34/97/52/373349752.db2.gz KNQRDBQUTFACJS-UHFFFAOYSA-N 2 2 313.446 -1.240 20 0 DAADLP CN(CCCN(C)C(=O)C(=O)N1CC[NH2+]CC1)CC[NH+](C)C ZINC000423620961 373349758 /nfs/dbraw/zinc/34/97/58/373349758.db2.gz KNQRDBQUTFACJS-UHFFFAOYSA-N 2 2 313.446 -1.240 20 0 DAADLP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000629801057 373405091 /nfs/dbraw/zinc/40/50/91/373405091.db2.gz HLOBRNXDARSYNI-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000628917311 373380116 /nfs/dbraw/zinc/38/01/16/373380116.db2.gz MMQSNNUNTWUOBR-OLZOCXBDSA-N 2 2 312.414 -1.157 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000628917311 373380121 /nfs/dbraw/zinc/38/01/21/373380121.db2.gz MMQSNNUNTWUOBR-OLZOCXBDSA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)S(=O)(=O)N1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629616103 373399973 /nfs/dbraw/zinc/39/99/73/373399973.db2.gz WVWVWCCSFILZEU-GFCCVEGCSA-N 2 2 306.432 -1.477 20 0 DAADLP COC[C@]1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000629606318 373400366 /nfs/dbraw/zinc/40/03/66/373400366.db2.gz FOLQMAPXYAHCQI-HIFRSBDPSA-N 2 2 315.414 -1.236 20 0 DAADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607195 373401138 /nfs/dbraw/zinc/40/11/38/373401138.db2.gz RAKCCABHMQCLME-STQMWFEESA-N 2 2 303.403 -1.110 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000629607185 373401447 /nfs/dbraw/zinc/40/14/47/373401447.db2.gz QUGJFQXJYDYKTJ-OLZOCXBDSA-N 2 2 301.387 -1.484 20 0 DAADLP O=C(NC[C@@H]1COCC[NH2+]1)N(CCO)CC[NH+]1CCOCC1 ZINC000627187704 373456282 /nfs/dbraw/zinc/45/62/82/373456282.db2.gz SAIMBIQQLUTEKS-CYBMUJFWSA-N 2 2 316.402 -1.689 20 0 DAADLP C[NH2+]CCOCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000627175608 373457276 /nfs/dbraw/zinc/45/72/76/373457276.db2.gz XYFIXRNOQBXPJJ-UHFFFAOYSA-N 2 2 315.418 -1.187 20 0 DAADLP CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236888148 373460178 /nfs/dbraw/zinc/46/01/78/373460178.db2.gz LJDDWGINDCSMIM-ZDUSSCGKSA-N 2 2 311.430 -1.440 20 0 DAADLP CN1CC[NH+](CCCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000564911116 373517979 /nfs/dbraw/zinc/51/79/79/373517979.db2.gz TYSUIPOPXYEOAQ-UHFFFAOYSA-N 2 2 311.430 -1.438 20 0 DAADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CC[NH2+]CC1 ZINC000564988144 373518480 /nfs/dbraw/zinc/51/84/80/373518480.db2.gz PPDAJTNAPIRBNH-UHFFFAOYSA-N 3 2 311.430 -1.486 20 0 DAADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CC[NH2+]CC1 ZINC000564988144 373518499 /nfs/dbraw/zinc/51/84/99/373518499.db2.gz PPDAJTNAPIRBNH-UHFFFAOYSA-N 3 2 311.430 -1.486 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565238063 373521418 /nfs/dbraw/zinc/52/14/18/373521418.db2.gz FMFUVVYNFSHBRI-BFHYXJOUSA-N 3 2 323.441 -1.217 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000565238063 373521427 /nfs/dbraw/zinc/52/14/27/373521427.db2.gz FMFUVVYNFSHBRI-BFHYXJOUSA-N 3 2 323.441 -1.217 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165619 373521613 /nfs/dbraw/zinc/52/16/13/373521613.db2.gz PJPGADNHOMMMOW-VXGBXAGGSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165619 373521622 /nfs/dbraw/zinc/52/16/22/373521622.db2.gz PJPGADNHOMMMOW-VXGBXAGGSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165619 373521628 /nfs/dbraw/zinc/52/16/28/373521628.db2.gz PJPGADNHOMMMOW-VXGBXAGGSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165619 373521637 /nfs/dbraw/zinc/52/16/37/373521637.db2.gz PJPGADNHOMMMOW-VXGBXAGGSA-N 2 2 309.432 -1.322 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000565238090 373522181 /nfs/dbraw/zinc/52/21/81/373522181.db2.gz FMFUVVYNFSHBRI-MELADBBJSA-N 3 2 323.441 -1.217 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000565238090 373522184 /nfs/dbraw/zinc/52/21/84/373522184.db2.gz FMFUVVYNFSHBRI-MELADBBJSA-N 3 2 323.441 -1.217 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000566179223 373523385 /nfs/dbraw/zinc/52/33/85/373523385.db2.gz IOPRAVSOXOCQHL-LBPRGKRZSA-N 2 2 309.370 -1.045 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566413763 373527818 /nfs/dbraw/zinc/52/78/18/373527818.db2.gz IQIAFWSALROSMK-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566413763 373527831 /nfs/dbraw/zinc/52/78/31/373527831.db2.gz IQIAFWSALROSMK-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000566413763 373527843 /nfs/dbraw/zinc/52/78/43/373527843.db2.gz IQIAFWSALROSMK-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413763 373527852 /nfs/dbraw/zinc/52/78/52/373527852.db2.gz IQIAFWSALROSMK-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](C[NH3+])C1 ZINC000567830109 373536459 /nfs/dbraw/zinc/53/64/59/373536459.db2.gz OOMFORWELGCOSF-XHDPSFHLSA-N 2 2 323.397 -1.192 20 0 DAADLP C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](C[NH3+])C1 ZINC000567830109 373536472 /nfs/dbraw/zinc/53/64/72/373536472.db2.gz OOMFORWELGCOSF-XHDPSFHLSA-N 2 2 323.397 -1.192 20 0 DAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](C[NH3+])C1 ZINC000567165195 373533008 /nfs/dbraw/zinc/53/30/08/373533008.db2.gz SPVZWSBJZBELCO-NSHDSACASA-N 2 2 323.397 -1.048 20 0 DAADLP C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](C[NH3+])C1 ZINC000567165195 373533015 /nfs/dbraw/zinc/53/30/15/373533015.db2.gz SPVZWSBJZBELCO-NSHDSACASA-N 2 2 323.397 -1.048 20 0 DAADLP CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567266701 373533303 /nfs/dbraw/zinc/53/33/03/373533303.db2.gz FZPNXMOGOKVYLA-NSHDSACASA-N 2 2 322.431 -1.956 20 0 DAADLP CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567266701 373533311 /nfs/dbraw/zinc/53/33/11/373533311.db2.gz FZPNXMOGOKVYLA-NSHDSACASA-N 2 2 322.431 -1.956 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567735234 373536846 /nfs/dbraw/zinc/53/68/46/373536846.db2.gz ADBHTCAAIVOYON-UWVGGRQHSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567735234 373536861 /nfs/dbraw/zinc/53/68/61/373536861.db2.gz ADBHTCAAIVOYON-UWVGGRQHSA-N 2 2 323.397 -1.092 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000578884359 373586312 /nfs/dbraw/zinc/58/63/12/373586312.db2.gz LMIKOTFGWYIIKS-KBPBESRZSA-N 3 2 323.441 -1.169 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000578884359 373586318 /nfs/dbraw/zinc/58/63/18/373586318.db2.gz LMIKOTFGWYIIKS-KBPBESRZSA-N 3 2 323.441 -1.169 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000574638245 373562140 /nfs/dbraw/zinc/56/21/40/373562140.db2.gz ZMOPOEOFOFOHLA-IVZWLZJFSA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000574638245 373562144 /nfs/dbraw/zinc/56/21/44/373562144.db2.gz ZMOPOEOFOFOHLA-IVZWLZJFSA-N 2 2 323.397 -1.094 20 0 DAADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574572679 373562511 /nfs/dbraw/zinc/56/25/11/373562511.db2.gz AXAHGTAIFOIFEM-LLVKDONJSA-N 2 2 312.370 -1.828 20 0 DAADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000574572679 373562514 /nfs/dbraw/zinc/56/25/14/373562514.db2.gz AXAHGTAIFOIFEM-LLVKDONJSA-N 2 2 312.370 -1.828 20 0 DAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762896 373564233 /nfs/dbraw/zinc/56/42/33/373564233.db2.gz KBRRDHVPLUPFLU-NEPJUHHUSA-N 2 2 316.365 -1.260 20 0 DAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762896 373564241 /nfs/dbraw/zinc/56/42/41/373564241.db2.gz KBRRDHVPLUPFLU-NEPJUHHUSA-N 2 2 316.365 -1.260 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576957660 373570490 /nfs/dbraw/zinc/57/04/90/373570490.db2.gz QCUPRKIHCCQIQX-IEBDPFPHSA-N 2 2 309.370 -1.393 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576957660 373570498 /nfs/dbraw/zinc/57/04/98/373570498.db2.gz QCUPRKIHCCQIQX-IEBDPFPHSA-N 2 2 309.370 -1.393 20 0 DAADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000577344895 373573713 /nfs/dbraw/zinc/57/37/13/373573713.db2.gz QXACEZBLAWPPIE-YOTBANQPSA-N 2 2 312.414 -1.424 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000577274454 373574272 /nfs/dbraw/zinc/57/42/72/373574272.db2.gz KZPBEUQBYITJAA-OLZOCXBDSA-N 2 2 310.398 -1.403 20 0 DAADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000577498685 373576320 /nfs/dbraw/zinc/57/63/20/373576320.db2.gz FBMRJPGYELEHJX-WDEREUQCSA-N 2 2 319.431 -1.695 20 0 DAADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000577498685 373576322 /nfs/dbraw/zinc/57/63/22/373576322.db2.gz FBMRJPGYELEHJX-WDEREUQCSA-N 2 2 319.431 -1.695 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000577527418 373576863 /nfs/dbraw/zinc/57/68/63/373576863.db2.gz APZNAVQBSJZSIE-RYUDHWBXSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000577527418 373576874 /nfs/dbraw/zinc/57/68/74/373576874.db2.gz APZNAVQBSJZSIE-RYUDHWBXSA-N 2 2 300.403 -1.424 20 0 DAADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000577498684 373577826 /nfs/dbraw/zinc/57/78/26/373577826.db2.gz FBMRJPGYELEHJX-QWRGUYRKSA-N 2 2 319.431 -1.695 20 0 DAADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000577498684 373577832 /nfs/dbraw/zinc/57/78/32/373577832.db2.gz FBMRJPGYELEHJX-QWRGUYRKSA-N 2 2 319.431 -1.695 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313796 373646856 /nfs/dbraw/zinc/64/68/56/373646856.db2.gz MVZQYYQAEFHURS-CHWSQXEVSA-N 3 2 323.441 -1.251 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000627313796 373646863 /nfs/dbraw/zinc/64/68/63/373646863.db2.gz MVZQYYQAEFHURS-CHWSQXEVSA-N 3 2 323.441 -1.251 20 0 DAADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCS(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC000580948370 373597673 /nfs/dbraw/zinc/59/76/73/373597673.db2.gz VNRSFHCUQCOGPS-UPJWGTAASA-N 2 2 323.459 -1.063 20 0 DAADLP C[NH+]1CCN(CCNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632253799 373711469 /nfs/dbraw/zinc/71/14/69/373711469.db2.gz BQNNSNWDNMJCEJ-ZDUSSCGKSA-N 2 2 320.459 -1.516 20 0 DAADLP C[NH+]1CCN(CCNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632253799 373711481 /nfs/dbraw/zinc/71/14/81/373711481.db2.gz BQNNSNWDNMJCEJ-ZDUSSCGKSA-N 2 2 320.459 -1.516 20 0 DAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCCOCC2)C1 ZINC000632259494 373712578 /nfs/dbraw/zinc/71/25/78/373712578.db2.gz MBZRUWHHOYOLTQ-CYBMUJFWSA-N 2 2 321.443 -1.041 20 0 DAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCCOCC2)C1 ZINC000632259494 373712583 /nfs/dbraw/zinc/71/25/83/373712583.db2.gz MBZRUWHHOYOLTQ-CYBMUJFWSA-N 2 2 321.443 -1.041 20 0 DAADLP C[NH+]1CCO[C@@H](CS(=O)(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000632259494 373712586 /nfs/dbraw/zinc/71/25/86/373712586.db2.gz MBZRUWHHOYOLTQ-CYBMUJFWSA-N 2 2 321.443 -1.041 20 0 DAADLP C[NH+]1CCO[C@@H](CS(=O)(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000632259494 373712591 /nfs/dbraw/zinc/71/25/91/373712591.db2.gz MBZRUWHHOYOLTQ-CYBMUJFWSA-N 2 2 321.443 -1.041 20 0 DAADLP COCC[N@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632255560 373712843 /nfs/dbraw/zinc/71/28/43/373712843.db2.gz WWOAZTKXTMKAJT-LBPRGKRZSA-N 2 2 309.432 -1.185 20 0 DAADLP COCC[N@@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632255560 373712846 /nfs/dbraw/zinc/71/28/46/373712846.db2.gz WWOAZTKXTMKAJT-LBPRGKRZSA-N 2 2 309.432 -1.185 20 0 DAADLP COCC[NH+](C)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632255560 373712851 /nfs/dbraw/zinc/71/28/51/373712851.db2.gz WWOAZTKXTMKAJT-LBPRGKRZSA-N 2 2 309.432 -1.185 20 0 DAADLP COCC[NH+](C)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632255560 373712855 /nfs/dbraw/zinc/71/28/55/373712855.db2.gz WWOAZTKXTMKAJT-LBPRGKRZSA-N 2 2 309.432 -1.185 20 0 DAADLP C[NH+](C)[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000632350423 373715560 /nfs/dbraw/zinc/71/55/60/373715560.db2.gz LDAOHNFANUXEPJ-SRVKXCTJSA-N 2 2 307.416 -1.747 20 0 DAADLP C[NH+](C)[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000632350423 373715566 /nfs/dbraw/zinc/71/55/66/373715566.db2.gz LDAOHNFANUXEPJ-SRVKXCTJSA-N 2 2 307.416 -1.747 20 0 DAADLP C[NH+](C)[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H]1O ZINC000632349983 373716182 /nfs/dbraw/zinc/71/61/82/373716182.db2.gz QVRYVISSFPKREF-STQMWFEESA-N 2 2 321.443 -1.355 20 0 DAADLP Nc1nc(N)[nH+]c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000623937478 373661064 /nfs/dbraw/zinc/66/10/64/373661064.db2.gz ILCRPLNQYUELGA-UHFFFAOYSA-N 2 2 306.374 -1.559 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000627462319 373678238 /nfs/dbraw/zinc/67/82/38/373678238.db2.gz QEAFRJSJBVKIBG-LBPRGKRZSA-N 2 2 316.402 -1.825 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000627462319 373678243 /nfs/dbraw/zinc/67/82/43/373678243.db2.gz QEAFRJSJBVKIBG-LBPRGKRZSA-N 2 2 316.402 -1.825 20 0 DAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000627473174 373681342 /nfs/dbraw/zinc/68/13/42/373681342.db2.gz ILZDRWFGRNSGBW-ZDUSSCGKSA-N 2 2 310.398 -1.355 20 0 DAADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000627469513 373682116 /nfs/dbraw/zinc/68/21/16/373682116.db2.gz WOYBIPGNWOLAQG-QWHCGFSZSA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000627469513 373682122 /nfs/dbraw/zinc/68/21/22/373682122.db2.gz WOYBIPGNWOLAQG-QWHCGFSZSA-N 2 2 312.414 -1.110 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475661 373684432 /nfs/dbraw/zinc/68/44/32/373684432.db2.gz RRDVWTUGGPQBPA-NEPJUHHUSA-N 2 2 314.386 -2.072 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475661 373684434 /nfs/dbraw/zinc/68/44/34/373684434.db2.gz RRDVWTUGGPQBPA-NEPJUHHUSA-N 2 2 314.386 -2.072 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474817 373684491 /nfs/dbraw/zinc/68/44/91/373684491.db2.gz YHXAARGLECGLAW-GFCCVEGCSA-N 2 2 314.386 -2.118 20 0 DAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475662 373684963 /nfs/dbraw/zinc/68/49/63/373684963.db2.gz RRDVWTUGGPQBPA-NWDGAFQWSA-N 2 2 314.386 -2.072 20 0 DAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475662 373684967 /nfs/dbraw/zinc/68/49/67/373684967.db2.gz RRDVWTUGGPQBPA-NWDGAFQWSA-N 2 2 314.386 -2.072 20 0 DAADLP C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC([NH3+])C1 ZINC000631826861 373694642 /nfs/dbraw/zinc/69/46/42/373694642.db2.gz YTTQLFUBOYZOOT-UHFFFAOYSA-N 2 2 318.443 -1.052 20 0 DAADLP C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC([NH3+])C1 ZINC000631826861 373694650 /nfs/dbraw/zinc/69/46/50/373694650.db2.gz YTTQLFUBOYZOOT-UHFFFAOYSA-N 2 2 318.443 -1.052 20 0 DAADLP COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000631921663 373700115 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DAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000632001419 373707413 /nfs/dbraw/zinc/70/74/13/373707413.db2.gz QOPNVZZGWOMWDH-ZDUSSCGKSA-N 2 2 321.443 -1.353 20 0 DAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000632001419 373707423 /nfs/dbraw/zinc/70/74/23/373707423.db2.gz QOPNVZZGWOMWDH-ZDUSSCGKSA-N 2 2 321.443 -1.353 20 0 DAADLP C[NH+]1CCO[C@H](CS(=O)(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000632001419 373707430 /nfs/dbraw/zinc/70/74/30/373707430.db2.gz QOPNVZZGWOMWDH-ZDUSSCGKSA-N 2 2 321.443 -1.353 20 0 DAADLP C[NH+]1CCO[C@H](CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000632001419 373707440 /nfs/dbraw/zinc/70/74/40/373707440.db2.gz QOPNVZZGWOMWDH-ZDUSSCGKSA-N 2 2 321.443 -1.353 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633112176 373730243 /nfs/dbraw/zinc/73/02/43/373730243.db2.gz BDMIXOKMXHIEOM-FRRDWIJNSA-N 2 2 312.414 -1.435 20 0 DAADLP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633108392 373730352 /nfs/dbraw/zinc/73/03/52/373730352.db2.gz XVGPHSHWDXYMFH-UHFFFAOYSA-N 2 2 320.397 -1.420 20 0 DAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000633118014 373731172 /nfs/dbraw/zinc/73/11/72/373731172.db2.gz HJDUMMYPNLGPJY-FRRDWIJNSA-N 2 2 310.398 -1.132 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192633611 781975983 /nfs/dbraw/zinc/97/59/83/781975983.db2.gz YOWJOQFBRYZUPZ-IJLUTSLNSA-N 2 2 312.370 -1.489 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192633611 781975994 /nfs/dbraw/zinc/97/59/94/781975994.db2.gz YOWJOQFBRYZUPZ-IJLUTSLNSA-N 2 2 312.370 -1.489 20 0 DAADLP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847798 781984248 /nfs/dbraw/zinc/98/42/48/781984248.db2.gz STSWKRLFALPBFI-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847798 781984258 /nfs/dbraw/zinc/98/42/58/781984258.db2.gz STSWKRLFALPBFI-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000353506910 131318267 /nfs/dbraw/zinc/31/82/67/131318267.db2.gz FCETUWKIGWDXHM-NEPJUHHUSA-N 2 2 314.386 -1.991 20 0 DAADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)N2CCOCC2)CC1=O ZINC000649688140 545805308 /nfs/dbraw/zinc/80/53/08/545805308.db2.gz SOEYLNFXQVBYQJ-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)N2CCOCC2)CC1=O ZINC000649688140 545805313 /nfs/dbraw/zinc/80/53/13/545805313.db2.gz SOEYLNFXQVBYQJ-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627386516 545829431 /nfs/dbraw/zinc/82/94/31/545829431.db2.gz QCQDPGZYNCYLMC-NWDGAFQWSA-N 2 2 314.386 -2.072 20 0 DAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627386516 545829442 /nfs/dbraw/zinc/82/94/42/545829442.db2.gz QCQDPGZYNCYLMC-NWDGAFQWSA-N 2 2 314.386 -2.072 20 0 DAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627386517 545829604 /nfs/dbraw/zinc/82/96/04/545829604.db2.gz QCQDPGZYNCYLMC-RYUDHWBXSA-N 2 2 314.386 -2.072 20 0 DAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627386517 545829611 /nfs/dbraw/zinc/82/96/11/545829611.db2.gz QCQDPGZYNCYLMC-RYUDHWBXSA-N 2 2 314.386 -2.072 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408100105 409371215 /nfs/dbraw/zinc/37/12/15/409371215.db2.gz SSGGLVXBNKAMKL-LLVKDONJSA-N 2 2 314.386 -1.271 20 0 DAADLP O=C(CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000655445911 409340957 /nfs/dbraw/zinc/34/09/57/409340957.db2.gz RWXODRYNKKSCFY-CZUORRHYSA-N 2 2 324.425 -1.059 20 0 DAADLP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000155210912 409341930 /nfs/dbraw/zinc/34/19/30/409341930.db2.gz PULOZHSXGMOQJD-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H](C[NH3+])C1 ZINC000647873463 409401834 /nfs/dbraw/zinc/40/18/34/409401834.db2.gz MPNABCHFODRULS-NSHDSACASA-N 2 2 319.431 -1.997 20 0 DAADLP C[N@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H](C[NH3+])C1 ZINC000647873463 409401840 /nfs/dbraw/zinc/40/18/40/409401840.db2.gz MPNABCHFODRULS-NSHDSACASA-N 2 2 319.431 -1.997 20 0 DAADLP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH2+]CC1=O ZINC000638131507 409408793 /nfs/dbraw/zinc/40/87/93/409408793.db2.gz FHEXELQARIYUFI-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000330549271 409418483 /nfs/dbraw/zinc/41/84/83/409418483.db2.gz RHXCPJNWZJGQMX-QWHCGFSZSA-N 2 2 301.387 -1.532 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000330549271 409418487 /nfs/dbraw/zinc/41/84/87/409418487.db2.gz RHXCPJNWZJGQMX-QWHCGFSZSA-N 2 2 301.387 -1.532 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000347663816 409444853 /nfs/dbraw/zinc/44/48/53/409444853.db2.gz NGSVOZYBGBLFEP-ZIAGYGMSSA-N 2 2 315.414 -1.236 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332635026 409463343 /nfs/dbraw/zinc/46/33/43/409463343.db2.gz FHECMUDHQVZMJX-UONOGXRCSA-N 2 2 324.425 -1.155 20 0 DAADLP C[NH+](CC1(C[N@@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@H]1O ZINC000352799741 409472571 /nfs/dbraw/zinc/47/25/71/409472571.db2.gz GFAROQROOKXRMR-SYQHCUMBSA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@H]1O ZINC000352799741 409472576 /nfs/dbraw/zinc/47/25/76/409472576.db2.gz GFAROQROOKXRMR-SYQHCUMBSA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799741 409472583 /nfs/dbraw/zinc/47/25/83/409472583.db2.gz GFAROQROOKXRMR-SYQHCUMBSA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000360272588 409505518 /nfs/dbraw/zinc/50/55/18/409505518.db2.gz OOCDDCXQRLWURC-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367372097 409508919 /nfs/dbraw/zinc/50/89/19/409508919.db2.gz PQCYHIUWFAGIRD-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367372097 409508923 /nfs/dbraw/zinc/50/89/23/409508923.db2.gz PQCYHIUWFAGIRD-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000361816300 409510251 /nfs/dbraw/zinc/51/02/51/409510251.db2.gz TXZGSZRSUIRFDW-ZDUSSCGKSA-N 2 2 321.443 -1.305 20 0 DAADLP C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000361816300 409510253 /nfs/dbraw/zinc/51/02/53/409510253.db2.gz TXZGSZRSUIRFDW-ZDUSSCGKSA-N 2 2 321.443 -1.305 20 0 DAADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372357019 409516576 /nfs/dbraw/zinc/51/65/76/409516576.db2.gz NSZVJYONNJWQRN-KGLIPLIRSA-N 2 2 312.414 -1.814 20 0 DAADLP C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C[NH3+])C1 ZINC000653055004 409532571 /nfs/dbraw/zinc/53/25/71/409532571.db2.gz HOWYNMCIJPTNPK-LLVKDONJSA-N 2 2 308.386 -1.518 20 0 DAADLP C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C[NH3+])C1 ZINC000653055004 409532575 /nfs/dbraw/zinc/53/25/75/409532575.db2.gz HOWYNMCIJPTNPK-LLVKDONJSA-N 2 2 308.386 -1.518 20 0 DAADLP C[NH2+]CC[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000420333683 409541725 /nfs/dbraw/zinc/54/17/25/409541725.db2.gz FFZZOLUFPOMMTB-UHFFFAOYSA-N 2 2 308.386 -1.025 20 0 DAADLP C[NH2+]CC[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000420333683 409541736 /nfs/dbraw/zinc/54/17/36/409541736.db2.gz FFZZOLUFPOMMTB-UHFFFAOYSA-N 2 2 308.386 -1.025 20 0 DAADLP O=C(COC1C[NH2+]C1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431036768 409569366 /nfs/dbraw/zinc/56/93/66/409569366.db2.gz KDQPOSUJVOISPY-UHFFFAOYSA-N 2 2 320.397 -1.297 20 0 DAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423369858 409544009 /nfs/dbraw/zinc/54/40/09/409544009.db2.gz OZXBQKZKJZCWBI-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000423321591 409545440 /nfs/dbraw/zinc/54/54/40/409545440.db2.gz HZPPLGNUARRWLZ-BETUJISGSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000423321591 409545449 /nfs/dbraw/zinc/54/54/49/409545449.db2.gz HZPPLGNUARRWLZ-BETUJISGSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000423354608 409547286 /nfs/dbraw/zinc/54/72/86/409547286.db2.gz DBAZHAAXFZTJMI-OLZOCXBDSA-N 2 2 312.414 -1.061 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@H](C)C1 ZINC000423544454 409548039 /nfs/dbraw/zinc/54/80/39/409548039.db2.gz WPHZXXFUTPSOEC-LLVKDONJSA-N 2 2 314.386 -1.501 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@H](C)C1 ZINC000423544454 409548047 /nfs/dbraw/zinc/54/80/47/409548047.db2.gz WPHZXXFUTPSOEC-LLVKDONJSA-N 2 2 314.386 -1.501 20 0 DAADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093257148 409550287 /nfs/dbraw/zinc/55/02/87/409550287.db2.gz SHIOSDWPWLBNAB-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093257148 409550299 /nfs/dbraw/zinc/55/02/99/409550299.db2.gz SHIOSDWPWLBNAB-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431063051 409570854 /nfs/dbraw/zinc/57/08/54/409570854.db2.gz WXPIROSILUZGDT-LBPRGKRZSA-N 2 2 300.403 -1.076 20 0 DAADLP C[NH2+]CCCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000435871437 409576485 /nfs/dbraw/zinc/57/64/85/409576485.db2.gz JZGVSYGVUQQBQP-UHFFFAOYSA-N 2 2 319.475 -1.294 20 0 DAADLP C[C@H]([NH3+])CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000442665970 409584943 /nfs/dbraw/zinc/58/49/43/409584943.db2.gz OVLSVBIMTZOQLQ-LBPRGKRZSA-N 2 2 305.448 -1.557 20 0 DAADLP O=C(CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)NCC[NH+]1CCOCC1 ZINC000446286400 409593119 /nfs/dbraw/zinc/59/31/19/409593119.db2.gz CHEANDKPPUHYKD-WDEREUQCSA-N 2 2 302.350 -1.749 20 0 DAADLP Cn1cc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574413 409606971 /nfs/dbraw/zinc/60/69/71/409606971.db2.gz APOLROQZTCYEOT-QMAVJUDZSA-N 2 2 321.381 -1.802 20 0 DAADLP Cn1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574413 409606977 /nfs/dbraw/zinc/60/69/77/409606977.db2.gz APOLROQZTCYEOT-QMAVJUDZSA-N 2 2 321.381 -1.802 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000494485991 409612426 /nfs/dbraw/zinc/61/24/26/409612426.db2.gz NYSPRBHSUVUEBM-UHFFFAOYSA-N 2 2 315.374 -1.113 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000659749288 409696904 /nfs/dbraw/zinc/69/69/04/409696904.db2.gz GGVWOCLPXWNEES-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000659749280 409698400 /nfs/dbraw/zinc/69/84/00/409698400.db2.gz GGVWOCLPXWNEES-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP O=C(NC1CC1)C(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251803 409709271 /nfs/dbraw/zinc/70/92/71/409709271.db2.gz HNBUSZRJKFTBIN-CYBMUJFWSA-N 2 2 322.409 -1.070 20 0 DAADLP NC(=O)c1ccc(NC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662287912 409710011 /nfs/dbraw/zinc/71/00/11/409710011.db2.gz CMLLYYQRUXPVSP-ZDUSSCGKSA-N 2 2 324.381 -1.272 20 0 DAADLP NC(=O)c1ccc(NC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662287912 409710013 /nfs/dbraw/zinc/71/00/13/409710013.db2.gz CMLLYYQRUXPVSP-ZDUSSCGKSA-N 2 2 324.381 -1.272 20 0 DAADLP CC[NH+]1CCN(C(=O)CNC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000649225182 409655101 /nfs/dbraw/zinc/65/51/01/409655101.db2.gz BLHLKCRLWRRZMO-UHFFFAOYSA-N 2 2 311.430 -1.486 20 0 DAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC000514931983 409655654 /nfs/dbraw/zinc/65/56/54/409655654.db2.gz MGGUVTOOKKRIIY-IJLUTSLNSA-N 2 2 309.432 -1.405 20 0 DAADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466615 409659468 /nfs/dbraw/zinc/65/94/68/409659468.db2.gz UMKSTDRRSJNNTG-IUCAKERBSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466615 409659472 /nfs/dbraw/zinc/65/94/72/409659472.db2.gz UMKSTDRRSJNNTG-IUCAKERBSA-N 2 2 309.370 -1.482 20 0 DAADLP CCC[NH2+][C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000576225002 409659708 /nfs/dbraw/zinc/65/97/08/409659708.db2.gz PHRIKRWMMASFIK-LBPRGKRZSA-N 2 2 300.403 -1.061 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000576348632 409660184 /nfs/dbraw/zinc/66/01/84/409660184.db2.gz DSFMAXKRQJPXBJ-QWHCGFSZSA-N 3 2 311.430 -1.502 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000576348632 409660191 /nfs/dbraw/zinc/66/01/91/409660191.db2.gz DSFMAXKRQJPXBJ-QWHCGFSZSA-N 3 2 311.430 -1.502 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000659703838 409689687 /nfs/dbraw/zinc/68/96/87/409689687.db2.gz HYWIGCIHTKRUNE-QJPTWQEYSA-N 2 2 300.403 -1.064 20 0 DAADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659696106 409689882 /nfs/dbraw/zinc/68/98/82/409689882.db2.gz IIVWLNADNWTFEM-QCNOEVLYSA-N 2 2 316.377 -1.281 20 0 DAADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659696106 409689885 /nfs/dbraw/zinc/68/98/85/409689885.db2.gz IIVWLNADNWTFEM-QCNOEVLYSA-N 2 2 316.377 -1.281 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000659703840 409690102 /nfs/dbraw/zinc/69/01/02/409690102.db2.gz HYWIGCIHTKRUNE-SRVKXCTJSA-N 2 2 300.403 -1.064 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000659673571 409690386 /nfs/dbraw/zinc/69/03/86/409690386.db2.gz LWHLOLGAEMFMEX-LLVKDONJSA-N 2 2 300.403 -1.063 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659699219 409690395 /nfs/dbraw/zinc/69/03/95/409690395.db2.gz UEGVLAYYKHLEPS-XIKARTHZSA-N 2 2 310.398 -1.309 20 0 DAADLP C[NH+](C)CCC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000662972537 409723058 /nfs/dbraw/zinc/72/30/58/409723058.db2.gz KNAXSDYORYHMLK-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000357253430 409757249 /nfs/dbraw/zinc/75/72/49/409757249.db2.gz GWTDNXHLFVCRCO-CYBMUJFWSA-N 2 2 323.397 -0.468 20 0 DAADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430722575 409758625 /nfs/dbraw/zinc/75/86/25/409758625.db2.gz QMJTUBGKPXUXSU-ZDUSSCGKSA-N 2 2 323.397 -0.468 20 0 DAADLP O=C(COC1C[NH2+]C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430733255 409760573 /nfs/dbraw/zinc/76/05/73/409760573.db2.gz QVKYITLPKOGTAF-UHFFFAOYSA-N 2 2 309.370 -0.858 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)C1CC1 ZINC001193754871 782015118 /nfs/dbraw/zinc/01/51/18/782015118.db2.gz CKNKXFIVBAIJSD-UMVBOHGHSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)C1CC1 ZINC001193754871 782015125 /nfs/dbraw/zinc/01/51/25/782015125.db2.gz CKNKXFIVBAIJSD-UMVBOHGHSA-N 2 2 324.425 -1.280 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765973 782015568 /nfs/dbraw/zinc/01/55/68/782015568.db2.gz LYJZQIVGRIMWNC-IJLUTSLNSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765973 782015573 /nfs/dbraw/zinc/01/55/73/782015573.db2.gz LYJZQIVGRIMWNC-IJLUTSLNSA-N 2 2 312.414 -1.234 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782358 782016760 /nfs/dbraw/zinc/01/67/60/782016760.db2.gz XUYLMHNHOWDOJN-BZPMIXESSA-N 2 2 312.414 -1.424 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782358 782016768 /nfs/dbraw/zinc/01/67/68/782016768.db2.gz XUYLMHNHOWDOJN-BZPMIXESSA-N 2 2 312.414 -1.424 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821657 782018491 /nfs/dbraw/zinc/01/84/91/782018491.db2.gz OQPRZJBLWRVCOP-CYZMBNFOSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821657 782018500 /nfs/dbraw/zinc/01/85/00/782018500.db2.gz OQPRZJBLWRVCOP-CYZMBNFOSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821657 782018505 /nfs/dbraw/zinc/01/85/05/782018505.db2.gz OQPRZJBLWRVCOP-CYZMBNFOSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821657 782018518 /nfs/dbraw/zinc/01/85/18/782018518.db2.gz OQPRZJBLWRVCOP-CYZMBNFOSA-N 2 2 312.414 -1.234 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821669 782018982 /nfs/dbraw/zinc/01/89/82/782018982.db2.gz PERPLDORYMQFKA-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821669 782018991 /nfs/dbraw/zinc/01/89/91/782018991.db2.gz PERPLDORYMQFKA-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821669 782018996 /nfs/dbraw/zinc/01/89/96/782018996.db2.gz PERPLDORYMQFKA-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821669 782019003 /nfs/dbraw/zinc/01/90/03/782019003.db2.gz PERPLDORYMQFKA-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1O)[NH+](C)C ZINC001194086202 782027120 /nfs/dbraw/zinc/02/71/20/782027120.db2.gz SCYSFXOTBHBARS-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1O)[NH+](C)C ZINC001194086202 782027122 /nfs/dbraw/zinc/02/71/22/782027122.db2.gz SCYSFXOTBHBARS-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153844 782027932 /nfs/dbraw/zinc/02/79/32/782027932.db2.gz HXIYWSJLERNUIG-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153844 782027942 /nfs/dbraw/zinc/02/79/42/782027942.db2.gz HXIYWSJLERNUIG-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC)C2)C1 ZINC001194153844 782027950 /nfs/dbraw/zinc/02/79/50/782027950.db2.gz HXIYWSJLERNUIG-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC)C2)C1 ZINC001194153844 782027958 /nfs/dbraw/zinc/02/79/58/782027958.db2.gz HXIYWSJLERNUIG-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153845 782029298 /nfs/dbraw/zinc/02/92/98/782029298.db2.gz HXIYWSJLERNUIG-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153845 782029303 /nfs/dbraw/zinc/02/93/03/782029303.db2.gz HXIYWSJLERNUIG-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC)C2)C1 ZINC001194153845 782029306 /nfs/dbraw/zinc/02/93/06/782029306.db2.gz HXIYWSJLERNUIG-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC)C2)C1 ZINC001194153845 782029315 /nfs/dbraw/zinc/02/93/15/782029315.db2.gz HXIYWSJLERNUIG-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449620 782037397 /nfs/dbraw/zinc/03/73/97/782037397.db2.gz VXDSOEDHZQBKOH-JTQLQIEISA-N 2 2 308.342 -1.389 20 0 DAADLP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449620 782037406 /nfs/dbraw/zinc/03/74/06/782037406.db2.gz VXDSOEDHZQBKOH-JTQLQIEISA-N 2 2 308.342 -1.389 20 0 DAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262556208 262493702 /nfs/dbraw/zinc/49/37/02/262493702.db2.gz UZVSIDGLBPNFBL-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP Cn1c2ncn(CC[N@@H+]3CCC[C@H]3C[NH3+])c2c(=O)n(C)c1=O ZINC000346593022 262539459 /nfs/dbraw/zinc/53/94/59/262539459.db2.gz MMCVRUGHHDKXKP-JTQLQIEISA-N 2 2 306.370 -1.143 20 0 DAADLP Cn1c2ncn(CC[N@H+]3CCC[C@H]3C[NH3+])c2c(=O)n(C)c1=O ZINC000346593022 262539461 /nfs/dbraw/zinc/53/94/61/262539461.db2.gz MMCVRUGHHDKXKP-JTQLQIEISA-N 2 2 306.370 -1.143 20 0 DAADLP CC(=O)N1CC[NH+](CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430745788 263220605 /nfs/dbraw/zinc/22/06/05/263220605.db2.gz OMRGZLHYYBJCFN-UHFFFAOYSA-N 2 2 311.386 -2.302 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828022 263221133 /nfs/dbraw/zinc/22/11/33/263221133.db2.gz VKTJWZRTAQHPQB-GHMZBOCLSA-N 2 2 311.386 -1.273 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828022 263221135 /nfs/dbraw/zinc/22/11/35/263221135.db2.gz VKTJWZRTAQHPQB-GHMZBOCLSA-N 2 2 311.386 -1.273 20 0 DAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262556206 263222079 /nfs/dbraw/zinc/22/20/79/263222079.db2.gz UZVSIDGLBPNFBL-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000346834665 263223642 /nfs/dbraw/zinc/22/36/42/263223642.db2.gz SRXVIEJWVHMDIN-OUAUKWLOSA-N 2 2 312.370 -1.750 20 0 DAADLP C[C@@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000346834665 263223644 /nfs/dbraw/zinc/22/36/44/263223644.db2.gz SRXVIEJWVHMDIN-OUAUKWLOSA-N 2 2 312.370 -1.750 20 0 DAADLP C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000419683314 263224886 /nfs/dbraw/zinc/22/48/86/263224886.db2.gz KKCJJKKYHMCFQR-NXEZZACHSA-N 2 2 322.356 -1.078 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000347663814 263225271 /nfs/dbraw/zinc/22/52/71/263225271.db2.gz NGSVOZYBGBLFEP-KGLIPLIRSA-N 2 2 315.414 -1.236 20 0 DAADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362841992 263232132 /nfs/dbraw/zinc/23/21/32/263232132.db2.gz XUFFFLBSQVBSTA-LLVKDONJSA-N 2 2 311.386 -1.272 20 0 DAADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362841992 263232134 /nfs/dbraw/zinc/23/21/34/263232134.db2.gz XUFFFLBSQVBSTA-LLVKDONJSA-N 2 2 311.386 -1.272 20 0 DAADLP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)N1CC[NH2+]CC1 ZINC000261964745 263232654 /nfs/dbraw/zinc/23/26/54/263232654.db2.gz PENKLUPBNWJHGI-UHFFFAOYSA-N 2 2 311.386 -1.320 20 0 DAADLP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)N1CC[NH2+]CC1 ZINC000261964745 263232657 /nfs/dbraw/zinc/23/26/57/263232657.db2.gz PENKLUPBNWJHGI-UHFFFAOYSA-N 2 2 311.386 -1.320 20 0 DAADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000423592486 263235390 /nfs/dbraw/zinc/23/53/90/263235390.db2.gz KTTOSWNNYJTIIW-QWHCGFSZSA-N 2 2 312.414 -1.278 20 0 DAADLP CC(C)(CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000418836708 263238439 /nfs/dbraw/zinc/23/84/39/263238439.db2.gz QDKKVJMCYTVXOY-UHFFFAOYSA-N 2 2 322.356 -1.076 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1=O ZINC000329937823 263239550 /nfs/dbraw/zinc/23/95/50/263239550.db2.gz SEJVMGNXVONTKQ-MCIONIFRSA-N 2 2 324.425 -1.062 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1=O ZINC000329937823 263239552 /nfs/dbraw/zinc/23/95/52/263239552.db2.gz SEJVMGNXVONTKQ-MCIONIFRSA-N 2 2 324.425 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CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001196268121 782096144 /nfs/dbraw/zinc/09/61/44/782096144.db2.gz PAJKWGCWGXCVDN-GRYCIOLGSA-N 2 2 300.403 -1.424 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001196268121 782096152 /nfs/dbraw/zinc/09/61/52/782096152.db2.gz PAJKWGCWGXCVDN-GRYCIOLGSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583883207 337377552 /nfs/dbraw/zinc/37/75/52/337377552.db2.gz KBZCKJYYRZLPQF-QWRGUYRKSA-N 2 2 311.386 -1.288 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583883207 337377553 /nfs/dbraw/zinc/37/75/53/337377553.db2.gz KBZCKJYYRZLPQF-QWRGUYRKSA-N 2 2 311.386 -1.288 20 0 DAADLP Cn1nncc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000532931277 337393573 /nfs/dbraw/zinc/39/35/73/337393573.db2.gz CHCUDQGGIDUKAQ-GFCCVEGCSA-N 2 2 308.386 -1.162 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423054271 337696482 /nfs/dbraw/zinc/69/64/82/337696482.db2.gz BOJAUUNBCIRQMB-OKILXGFUSA-N 2 2 324.425 -1.155 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000423607977 337725990 /nfs/dbraw/zinc/72/59/90/337725990.db2.gz NBZDOZNPBOMQKJ-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000568609975 341676340 /nfs/dbraw/zinc/67/63/40/341676340.db2.gz AXBZWGPQTPQWAZ-QWHCGFSZSA-N 2 2 310.398 -1.166 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001197057526 782121548 /nfs/dbraw/zinc/12/15/48/782121548.db2.gz CPQSEQNPTOIHEJ-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058668 782121985 /nfs/dbraw/zinc/12/19/85/782121985.db2.gz WETIRFGQHLYAIT-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197049635 782122416 /nfs/dbraw/zinc/12/24/16/782122416.db2.gz OTSURZUPZSRHNO-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197049635 782122409 /nfs/dbraw/zinc/12/24/09/782122409.db2.gz OTSURZUPZSRHNO-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197536671 782133844 /nfs/dbraw/zinc/13/38/44/782133844.db2.gz ZKIPMDMOEHAQDI-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197536671 782133851 /nfs/dbraw/zinc/13/38/51/782133851.db2.gz ZKIPMDMOEHAQDI-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197536671 782133856 /nfs/dbraw/zinc/13/38/56/782133856.db2.gz ZKIPMDMOEHAQDI-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197536671 782133861 /nfs/dbraw/zinc/13/38/61/782133861.db2.gz ZKIPMDMOEHAQDI-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001197527721 782134288 /nfs/dbraw/zinc/13/42/88/782134288.db2.gz DXSATEDWJSMSNQ-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197527721 782134297 /nfs/dbraw/zinc/13/42/97/782134297.db2.gz DXSATEDWJSMSNQ-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197527721 782134300 /nfs/dbraw/zinc/13/43/00/782134300.db2.gz DXSATEDWJSMSNQ-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001197527721 782134281 /nfs/dbraw/zinc/13/42/81/782134281.db2.gz DXSATEDWJSMSNQ-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493245 782134896 /nfs/dbraw/zinc/13/48/96/782134896.db2.gz HLQRJNUCWQKTFI-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493245 782134904 /nfs/dbraw/zinc/13/49/04/782134904.db2.gz HLQRJNUCWQKTFI-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493245 782134907 /nfs/dbraw/zinc/13/49/07/782134907.db2.gz HLQRJNUCWQKTFI-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493245 782134912 /nfs/dbraw/zinc/13/49/12/782134912.db2.gz HLQRJNUCWQKTFI-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197536670 782135216 /nfs/dbraw/zinc/13/52/16/782135216.db2.gz ZKIPMDMOEHAQDI-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197536670 782135220 /nfs/dbraw/zinc/13/52/20/782135220.db2.gz ZKIPMDMOEHAQDI-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197536670 782135223 /nfs/dbraw/zinc/13/52/23/782135223.db2.gz ZKIPMDMOEHAQDI-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197536670 782135226 /nfs/dbraw/zinc/13/52/26/782135226.db2.gz ZKIPMDMOEHAQDI-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817582 782141678 /nfs/dbraw/zinc/14/16/78/782141678.db2.gz OAIAYBWMJZIFKV-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP CNC(=O)C[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817582 782141683 /nfs/dbraw/zinc/14/16/83/782141683.db2.gz OAIAYBWMJZIFKV-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197782944 782140307 /nfs/dbraw/zinc/14/03/07/782140307.db2.gz LEGLOEVYHQXPCH-IJLUTSLNSA-N 2 2 314.386 -2.386 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197782944 782140311 /nfs/dbraw/zinc/14/03/11/782140311.db2.gz LEGLOEVYHQXPCH-IJLUTSLNSA-N 2 2 314.386 -2.386 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197774976 782140846 /nfs/dbraw/zinc/14/08/46/782140846.db2.gz CAYLJDGHQPXLJX-YNEHKIRRSA-N 2 2 312.370 -1.869 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197774976 782140850 /nfs/dbraw/zinc/14/08/50/782140850.db2.gz CAYLJDGHQPXLJX-YNEHKIRRSA-N 2 2 312.370 -1.869 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198003839 782144431 /nfs/dbraw/zinc/14/44/31/782144431.db2.gz JJSJLDXFECWIFM-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198003839 782144436 /nfs/dbraw/zinc/14/44/36/782144436.db2.gz JJSJLDXFECWIFM-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198003839 782144441 /nfs/dbraw/zinc/14/44/41/782144441.db2.gz JJSJLDXFECWIFM-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198003839 782144448 /nfs/dbraw/zinc/14/44/48/782144448.db2.gz JJSJLDXFECWIFM-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198134681 782150344 /nfs/dbraw/zinc/15/03/44/782150344.db2.gz YYHSIECEFUSVIQ-CYZMBNFOSA-N 2 2 312.370 -1.571 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198134681 782150352 /nfs/dbraw/zinc/15/03/52/782150352.db2.gz YYHSIECEFUSVIQ-CYZMBNFOSA-N 2 2 312.370 -1.571 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198654217 782159182 /nfs/dbraw/zinc/15/91/82/782159182.db2.gz PKHAVYJMIKLRAF-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198654217 782159190 /nfs/dbraw/zinc/15/91/90/782159190.db2.gz PKHAVYJMIKLRAF-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198654217 782159196 /nfs/dbraw/zinc/15/91/96/782159196.db2.gz PKHAVYJMIKLRAF-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198654217 782159205 /nfs/dbraw/zinc/15/92/05/782159205.db2.gz PKHAVYJMIKLRAF-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cc[nH+]cc2)[C@@H]2NCN[C@H]21 ZINC001198561432 782158349 /nfs/dbraw/zinc/15/83/49/782158349.db2.gz OFJQWXRPCQBOEQ-XQQFMLRXSA-N 2 2 314.353 -1.600 20 0 DAADLP CNS(=O)(=O)CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000116351104 517973639 /nfs/dbraw/zinc/97/36/39/517973639.db2.gz IOGXAQPHLDDJGB-UHFFFAOYSA-N 2 2 306.432 -1.369 20 0 DAADLP CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000106382694 522815415 /nfs/dbraw/zinc/81/54/15/522815415.db2.gz BUMZOFWICXFXFP-ZDUSSCGKSA-N 2 2 320.459 -1.133 20 0 DAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000338249748 523869436 /nfs/dbraw/zinc/86/94/36/523869436.db2.gz GFMKDCATIOGVHN-UHFFFAOYSA-N 2 2 318.443 -1.272 20 0 DAADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@@H]1COCCO1)C2 ZINC001273773380 782163474 /nfs/dbraw/zinc/16/34/74/782163474.db2.gz FEASBTVTVFGAIO-CYBMUJFWSA-N 2 2 313.398 -1.123 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001198871226 782164756 /nfs/dbraw/zinc/16/47/56/782164756.db2.gz UYSMJVWDFAZWNI-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001198871226 782164762 /nfs/dbraw/zinc/16/47/62/782164762.db2.gz UYSMJVWDFAZWNI-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001198871226 782164767 /nfs/dbraw/zinc/16/47/67/782164767.db2.gz UYSMJVWDFAZWNI-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001198871226 782164773 /nfs/dbraw/zinc/16/47/73/782164773.db2.gz UYSMJVWDFAZWNI-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000644564903 545676320 /nfs/dbraw/zinc/67/63/20/545676320.db2.gz UCLSNYQSLDWEES-GRYCIOLGSA-N 2 2 314.386 -1.402 20 0 DAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000644564903 545676328 /nfs/dbraw/zinc/67/63/28/545676328.db2.gz UCLSNYQSLDWEES-GRYCIOLGSA-N 2 2 314.386 -1.402 20 0 DAADLP CCO[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000652669715 545684945 /nfs/dbraw/zinc/68/49/45/545684945.db2.gz RRXZULPCWDLPCG-VXGBXAGGSA-N 2 2 309.370 -1.179 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000330175727 545725119 /nfs/dbraw/zinc/72/51/19/545725119.db2.gz JJBTVONQNVYOID-ZDUSSCGKSA-N 2 2 308.386 -1.247 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000330175727 545725123 /nfs/dbraw/zinc/72/51/23/545725123.db2.gz JJBTVONQNVYOID-ZDUSSCGKSA-N 2 2 308.386 -1.247 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000332094375 545729002 /nfs/dbraw/zinc/72/90/02/545729002.db2.gz OQFPJKLADCHYDZ-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000332094375 545729010 /nfs/dbraw/zinc/72/90/10/545729010.db2.gz OQFPJKLADCHYDZ-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332094375 545729015 /nfs/dbraw/zinc/72/90/15/545729015.db2.gz OQFPJKLADCHYDZ-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332094375 545729021 /nfs/dbraw/zinc/72/90/21/545729021.db2.gz OQFPJKLADCHYDZ-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357926137 545738031 /nfs/dbraw/zinc/73/80/31/545738031.db2.gz PLCKDBWCENIONH-KBPBESRZSA-N 2 2 324.425 -1.230 20 0 DAADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357926145 545738103 /nfs/dbraw/zinc/73/81/03/545738103.db2.gz PLCKDBWCENIONH-UONOGXRCSA-N 2 2 324.425 -1.230 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000339806802 545741839 /nfs/dbraw/zinc/74/18/39/545741839.db2.gz CETKSCFFQNUCHS-CYBMUJFWSA-N 2 2 301.387 -1.530 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000339806802 545741847 /nfs/dbraw/zinc/74/18/47/545741847.db2.gz CETKSCFFQNUCHS-CYBMUJFWSA-N 2 2 301.387 -1.530 20 0 DAADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCNC(=O)C1 ZINC000362826075 545746616 /nfs/dbraw/zinc/74/66/16/545746616.db2.gz LHYXFOLSQDZPOO-LBPRGKRZSA-N 2 2 323.397 -2.159 20 0 DAADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCNC(=O)C1 ZINC000362826075 545746619 /nfs/dbraw/zinc/74/66/19/545746619.db2.gz LHYXFOLSQDZPOO-LBPRGKRZSA-N 2 2 323.397 -2.159 20 0 DAADLP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830742 545746980 /nfs/dbraw/zinc/74/69/80/545746980.db2.gz MJBGNJHJANCQBP-LLVKDONJSA-N 2 2 309.370 -1.566 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000423613781 545773451 /nfs/dbraw/zinc/77/34/51/545773451.db2.gz VXTURAOEQSHLRO-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000423613781 545773456 /nfs/dbraw/zinc/77/34/56/545773456.db2.gz VXTURAOEQSHLRO-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423727000 545774356 /nfs/dbraw/zinc/77/43/56/545774356.db2.gz USOHJNZXMVQCSE-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001199104775 782169029 /nfs/dbraw/zinc/16/90/29/782169029.db2.gz SFFMTLIJFPKEBG-JHJVBQTASA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001199104775 782169031 /nfs/dbraw/zinc/16/90/31/782169031.db2.gz SFFMTLIJFPKEBG-JHJVBQTASA-N 2 2 312.414 -1.234 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC000645978261 545789753 /nfs/dbraw/zinc/78/97/53/545789753.db2.gz ZYJAJKHQUGRSDG-CYBMUJFWSA-N 3 2 323.441 -1.297 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC000645978261 545789756 /nfs/dbraw/zinc/78/97/56/545789756.db2.gz ZYJAJKHQUGRSDG-CYBMUJFWSA-N 3 2 323.441 -1.297 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001199104775 782169035 /nfs/dbraw/zinc/16/90/35/782169035.db2.gz SFFMTLIJFPKEBG-JHJVBQTASA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001199104775 782169036 /nfs/dbraw/zinc/16/90/36/782169036.db2.gz SFFMTLIJFPKEBG-JHJVBQTASA-N 2 2 312.414 -1.234 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199071356 782169148 /nfs/dbraw/zinc/16/91/48/782169148.db2.gz SMPQFYPSNCUIJU-HZSPNIEDSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199071356 782169151 /nfs/dbraw/zinc/16/91/51/782169151.db2.gz SMPQFYPSNCUIJU-HZSPNIEDSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321220 545802188 /nfs/dbraw/zinc/80/21/88/545802188.db2.gz OULAEFQWSKBTNB-OLZOCXBDSA-N 2 2 310.398 -1.524 20 0 DAADLP COCCOC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684860 545803548 /nfs/dbraw/zinc/80/35/48/545803548.db2.gz FBCVXEASXFLILV-ZDUSSCGKSA-N 2 2 303.403 -1.284 20 0 DAADLP COCCOC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684860 545803551 /nfs/dbraw/zinc/80/35/51/545803551.db2.gz FBCVXEASXFLILV-ZDUSSCGKSA-N 2 2 303.403 -1.284 20 0 DAADLP COCCOC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684859 545803788 /nfs/dbraw/zinc/80/37/88/545803788.db2.gz FBCVXEASXFLILV-CYBMUJFWSA-N 2 2 303.403 -1.284 20 0 DAADLP COCCOC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684859 545803791 /nfs/dbraw/zinc/80/37/91/545803791.db2.gz FBCVXEASXFLILV-CYBMUJFWSA-N 2 2 303.403 -1.284 20 0 DAADLP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000568609973 545807605 /nfs/dbraw/zinc/80/76/05/545807605.db2.gz AXBZWGPQTPQWAZ-CHWSQXEVSA-N 2 2 310.398 -1.166 20 0 DAADLP C[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023113 545810581 /nfs/dbraw/zinc/81/05/81/545810581.db2.gz VVSPKLGTGAMPHK-SDDRHHMPSA-N 2 2 312.414 -1.064 20 0 DAADLP C[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023113 545810587 /nfs/dbraw/zinc/81/05/87/545810587.db2.gz VVSPKLGTGAMPHK-SDDRHHMPSA-N 2 2 312.414 -1.064 20 0 DAADLP C[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023114 545811896 /nfs/dbraw/zinc/81/18/96/545811896.db2.gz VVSPKLGTGAMPHK-UTUOFQBUSA-N 2 2 312.414 -1.064 20 0 DAADLP C[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023114 545811904 /nfs/dbraw/zinc/81/19/04/545811904.db2.gz VVSPKLGTGAMPHK-UTUOFQBUSA-N 2 2 312.414 -1.064 20 0 DAADLP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000656088439 545815028 /nfs/dbraw/zinc/81/50/28/545815028.db2.gz KLURRJXVBWVZTQ-WCQYABFASA-N 2 2 319.365 -1.497 20 0 DAADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCn2c[nH+]cc2C1 ZINC000656088439 545815031 /nfs/dbraw/zinc/81/50/31/545815031.db2.gz KLURRJXVBWVZTQ-WCQYABFASA-N 2 2 319.365 -1.497 20 0 DAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656283378 545818075 /nfs/dbraw/zinc/81/80/75/545818075.db2.gz YMFJPVUDBXPTOL-QWHCGFSZSA-N 2 2 321.381 -1.333 20 0 DAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656283378 545818077 /nfs/dbraw/zinc/81/80/77/545818077.db2.gz YMFJPVUDBXPTOL-QWHCGFSZSA-N 2 2 321.381 -1.333 20 0 DAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000662908133 545839447 /nfs/dbraw/zinc/83/94/47/545839447.db2.gz ZEEOJLPRUBJLEP-UONOGXRCSA-N 2 2 323.441 -1.249 20 0 DAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000662908133 545839453 /nfs/dbraw/zinc/83/94/53/545839453.db2.gz ZEEOJLPRUBJLEP-UONOGXRCSA-N 2 2 323.441 -1.249 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662920927 545840491 /nfs/dbraw/zinc/84/04/91/545840491.db2.gz AUUQZAVXYNBTHZ-UHFFFAOYSA-N 2 2 310.398 -1.273 20 0 DAADLP Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000679306709 545878368 /nfs/dbraw/zinc/87/83/68/545878368.db2.gz RJMGOAVMSOXVOT-LBPRGKRZSA-N 2 2 322.413 -1.134 20 0 DAADLP Cn1cnn(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000679306709 545878375 /nfs/dbraw/zinc/87/83/75/545878375.db2.gz RJMGOAVMSOXVOT-LBPRGKRZSA-N 2 2 322.413 -1.134 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685336202 545893271 /nfs/dbraw/zinc/89/32/71/545893271.db2.gz LZQQBBPGEMPSAQ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336202 545893274 /nfs/dbraw/zinc/89/32/74/545893274.db2.gz LZQQBBPGEMPSAQ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111752 782171426 /nfs/dbraw/zinc/17/14/26/782171426.db2.gz KOFKTVQABIVYCT-IJLUTSLNSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111752 782171431 /nfs/dbraw/zinc/17/14/31/782171431.db2.gz KOFKTVQABIVYCT-IJLUTSLNSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111752 782171435 /nfs/dbraw/zinc/17/14/35/782171435.db2.gz KOFKTVQABIVYCT-IJLUTSLNSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111752 782171442 /nfs/dbraw/zinc/17/14/42/782171442.db2.gz KOFKTVQABIVYCT-IJLUTSLNSA-N 2 2 300.403 -1.248 20 0 DAADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@H](CO)C(N)=O)CC1 ZINC001199359527 782175572 /nfs/dbraw/zinc/17/55/72/782175572.db2.gz OECAJTPSAFOLBD-LLVKDONJSA-N 2 2 307.354 -1.591 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020819006 662343584 /nfs/dbraw/zinc/34/35/84/662343584.db2.gz NUQWDZYYSDRRQZ-GUBZILKMSA-N 2 2 305.338 -1.006 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020818894 662343703 /nfs/dbraw/zinc/34/37/03/662343703.db2.gz IOJHOUKARUUMCA-MGCOHNPYSA-N 2 2 320.353 -1.259 20 0 DAADLP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190450 662349201 /nfs/dbraw/zinc/34/92/01/662349201.db2.gz MVAFEVDDNYOUHC-WXPRMRQPSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190450 662349203 /nfs/dbraw/zinc/34/92/03/662349203.db2.gz MVAFEVDDNYOUHC-WXPRMRQPSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@H](NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190449 662349236 /nfs/dbraw/zinc/34/92/36/662349236.db2.gz MVAFEVDDNYOUHC-VIHGGKNESA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190449 662349239 /nfs/dbraw/zinc/34/92/39/662349239.db2.gz MVAFEVDDNYOUHC-VIHGGKNESA-N 2 2 322.409 -1.229 20 0 DAADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021080429 662354308 /nfs/dbraw/zinc/35/43/08/662354308.db2.gz NGKHCKMULUVILR-OBJOEFQTSA-N 2 2 310.398 -1.181 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021219400 662360306 /nfs/dbraw/zinc/36/03/06/662360306.db2.gz LDIKLGMNTMJWFA-PSEXLTFBSA-N 2 2 310.398 -1.086 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021219400 662360310 /nfs/dbraw/zinc/36/03/10/662360310.db2.gz LDIKLGMNTMJWFA-PSEXLTFBSA-N 2 2 310.398 -1.086 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001021219400 662360313 /nfs/dbraw/zinc/36/03/13/662360313.db2.gz LDIKLGMNTMJWFA-PSEXLTFBSA-N 2 2 310.398 -1.086 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001021219400 662360316 /nfs/dbraw/zinc/36/03/16/662360316.db2.gz LDIKLGMNTMJWFA-PSEXLTFBSA-N 2 2 310.398 -1.086 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC000970712818 662368711 /nfs/dbraw/zinc/36/87/11/662368711.db2.gz SZUQUZPVNJPWQA-WDEREUQCSA-N 2 2 308.386 -1.249 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC000970712818 662368713 /nfs/dbraw/zinc/36/87/13/662368713.db2.gz SZUQUZPVNJPWQA-WDEREUQCSA-N 2 2 308.386 -1.249 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000970958886 662376509 /nfs/dbraw/zinc/37/65/09/662376509.db2.gz YWHDOXKBIXNLSE-OLZOCXBDSA-N 2 2 321.381 -1.264 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021926633 662383044 /nfs/dbraw/zinc/38/30/44/662383044.db2.gz QXBFBOHOFXTWFU-AXFHLTTASA-N 2 2 309.374 -1.723 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021926633 662383045 /nfs/dbraw/zinc/38/30/45/662383045.db2.gz QXBFBOHOFXTWFU-AXFHLTTASA-N 2 2 309.374 -1.723 20 0 DAADLP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001021928409 662383448 /nfs/dbraw/zinc/38/34/48/662383448.db2.gz PQMDRIFSLLVZAC-NTZNESFSSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001021928409 662383450 /nfs/dbraw/zinc/38/34/50/662383450.db2.gz PQMDRIFSLLVZAC-NTZNESFSSA-N 2 2 308.386 -1.118 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971679804 662388632 /nfs/dbraw/zinc/38/86/32/662388632.db2.gz VJCZLZRDQADRED-OLZOCXBDSA-N 2 2 322.413 -1.169 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971679804 662388634 /nfs/dbraw/zinc/38/86/34/662388634.db2.gz VJCZLZRDQADRED-OLZOCXBDSA-N 2 2 322.413 -1.169 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001022277150 662389958 /nfs/dbraw/zinc/38/99/58/662389958.db2.gz WMWKNJHKESLREN-WISYIIOYSA-N 2 2 323.401 -1.334 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001022277150 662389961 /nfs/dbraw/zinc/38/99/61/662389961.db2.gz WMWKNJHKESLREN-WISYIIOYSA-N 2 2 323.401 -1.334 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022889444 662415314 /nfs/dbraw/zinc/41/53/14/662415314.db2.gz IOJHOUKARUUMCA-AOOOYVTPSA-N 2 2 320.353 -1.259 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC001023088911 662428593 /nfs/dbraw/zinc/42/85/93/662428593.db2.gz OTEMCWWMNLRBES-PHIMTYICSA-N 2 2 308.386 -1.059 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023115129 662431654 /nfs/dbraw/zinc/43/16/54/662431654.db2.gz ACHFLJLETSUYEL-GRYCIOLGSA-N 2 2 323.401 -1.332 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023115129 662431656 /nfs/dbraw/zinc/43/16/56/662431656.db2.gz ACHFLJLETSUYEL-GRYCIOLGSA-N 2 2 323.401 -1.332 20 0 DAADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023117129 662431819 /nfs/dbraw/zinc/43/18/19/662431819.db2.gz NGKHCKMULUVILR-SCRDCRAPSA-N 2 2 310.398 -1.181 20 0 DAADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023117127 662431846 /nfs/dbraw/zinc/43/18/46/662431846.db2.gz NGKHCKMULUVILR-MBNYWOFBSA-N 2 2 310.398 -1.181 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023160977 662435852 /nfs/dbraw/zinc/43/58/52/662435852.db2.gz JFPKXZPZNWDPAE-OUAUKWLOSA-N 2 2 305.338 -1.075 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001023208828 662441408 /nfs/dbraw/zinc/44/14/08/662441408.db2.gz YCYYBWCNPBTJJY-JHJVBQTASA-N 2 2 321.381 -1.335 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001023208828 662441409 /nfs/dbraw/zinc/44/14/09/662441409.db2.gz YCYYBWCNPBTJJY-JHJVBQTASA-N 2 2 321.381 -1.335 20 0 DAADLP 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662445290 /nfs/dbraw/zinc/44/52/90/662445290.db2.gz ZOGUUKFESFMBJS-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292667 662445292 /nfs/dbraw/zinc/44/52/92/662445292.db2.gz ZOGUUKFESFMBJS-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292667 662445296 /nfs/dbraw/zinc/44/52/96/662445296.db2.gz ZOGUUKFESFMBJS-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023787653 662460263 /nfs/dbraw/zinc/46/02/63/662460263.db2.gz NDXJZGCOQOTEIH-JHJVBQTASA-N 2 2 321.381 -1.477 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023787653 662460264 /nfs/dbraw/zinc/46/02/64/662460264.db2.gz NDXJZGCOQOTEIH-JHJVBQTASA-N 2 2 321.381 -1.477 20 0 DAADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001024413770 662473609 /nfs/dbraw/zinc/47/36/09/662473609.db2.gz SRWZUXQHPRUSTJ-FRRDWIJNSA-N 2 2 323.397 -1.089 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719413 662527489 /nfs/dbraw/zinc/52/74/89/662527489.db2.gz UZLFHOUAYTZGGD-BNDIWNMDSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719413 662527493 /nfs/dbraw/zinc/52/74/93/662527493.db2.gz UZLFHOUAYTZGGD-BNDIWNMDSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719413 662527495 /nfs/dbraw/zinc/52/74/95/662527495.db2.gz UZLFHOUAYTZGGD-BNDIWNMDSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719413 662527499 /nfs/dbraw/zinc/52/74/99/662527499.db2.gz UZLFHOUAYTZGGD-BNDIWNMDSA-N 2 2 310.398 -1.502 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719889 662527647 /nfs/dbraw/zinc/52/76/47/662527647.db2.gz WPWIFPJEPGKOLR-MLGHIDQZSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719889 662527649 /nfs/dbraw/zinc/52/76/49/662527649.db2.gz WPWIFPJEPGKOLR-MLGHIDQZSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719889 662527650 /nfs/dbraw/zinc/52/76/50/662527650.db2.gz WPWIFPJEPGKOLR-MLGHIDQZSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719889 662527652 /nfs/dbraw/zinc/52/76/52/662527652.db2.gz WPWIFPJEPGKOLR-MLGHIDQZSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147796 662542727 /nfs/dbraw/zinc/54/27/27/662542727.db2.gz NMIRKYTZLWPBEJ-DGTMBMJNSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147796 662542729 /nfs/dbraw/zinc/54/27/29/662542729.db2.gz NMIRKYTZLWPBEJ-DGTMBMJNSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147796 662542732 /nfs/dbraw/zinc/54/27/32/662542732.db2.gz NMIRKYTZLWPBEJ-DGTMBMJNSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147796 662542735 /nfs/dbraw/zinc/54/27/35/662542735.db2.gz NMIRKYTZLWPBEJ-DGTMBMJNSA-N 2 2 324.425 -1.112 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001026749957 662562850 /nfs/dbraw/zinc/56/28/50/662562850.db2.gz RNTLXIBZAQCRIO-NEPJUHHUSA-N 2 2 323.401 -1.521 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001026749957 662562852 /nfs/dbraw/zinc/56/28/52/662562852.db2.gz RNTLXIBZAQCRIO-NEPJUHHUSA-N 2 2 323.401 -1.521 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001027245875 662576566 /nfs/dbraw/zinc/57/65/66/662576566.db2.gz HWHSMGSTVJPCRW-LLVKDONJSA-N 2 2 319.369 -1.057 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)O1 ZINC000978355496 662612714 /nfs/dbraw/zinc/61/27/14/662612714.db2.gz ODSDKXYAYYNHTM-NJMOYASZSA-N 2 2 310.398 -1.515 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)O1 ZINC000978355496 662612716 /nfs/dbraw/zinc/61/27/16/662612716.db2.gz ODSDKXYAYYNHTM-NJMOYASZSA-N 2 2 310.398 -1.515 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)O1 ZINC000978355496 662612717 /nfs/dbraw/zinc/61/27/17/662612717.db2.gz ODSDKXYAYYNHTM-NJMOYASZSA-N 2 2 310.398 -1.515 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)O1 ZINC000978355496 662612719 /nfs/dbraw/zinc/61/27/19/662612719.db2.gz ODSDKXYAYYNHTM-NJMOYASZSA-N 2 2 310.398 -1.515 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000980412428 662636701 /nfs/dbraw/zinc/63/67/01/662636701.db2.gz JREGPHJUOAIGOX-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000980412428 662636703 /nfs/dbraw/zinc/63/67/03/662636703.db2.gz JREGPHJUOAIGOX-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000980412425 662636712 /nfs/dbraw/zinc/63/67/12/662636712.db2.gz JREGPHJUOAIGOX-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000980412425 662636715 /nfs/dbraw/zinc/63/67/15/662636715.db2.gz JREGPHJUOAIGOX-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000980412427 662636823 /nfs/dbraw/zinc/63/68/23/662636823.db2.gz JREGPHJUOAIGOX-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000980412427 662636825 /nfs/dbraw/zinc/63/68/25/662636825.db2.gz JREGPHJUOAIGOX-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464877 662672542 /nfs/dbraw/zinc/67/25/42/662672542.db2.gz GRPINOKVUPZBPW-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464877 662672544 /nfs/dbraw/zinc/67/25/44/662672544.db2.gz GRPINOKVUPZBPW-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464877 662672547 /nfs/dbraw/zinc/67/25/47/662672547.db2.gz GRPINOKVUPZBPW-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464877 662672549 /nfs/dbraw/zinc/67/25/49/662672549.db2.gz GRPINOKVUPZBPW-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000983392337 662693921 /nfs/dbraw/zinc/69/39/21/662693921.db2.gz WRNMWTMOVKTXIJ-SRVKXCTJSA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000983392337 662693924 /nfs/dbraw/zinc/69/39/24/662693924.db2.gz WRNMWTMOVKTXIJ-SRVKXCTJSA-N 2 2 323.401 -1.475 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995241 662695381 /nfs/dbraw/zinc/69/53/81/662695381.db2.gz JWZUHDAREAHEDI-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995241 662695383 /nfs/dbraw/zinc/69/53/83/662695383.db2.gz JWZUHDAREAHEDI-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NC)C2)C1 ZINC001028995241 662695384 /nfs/dbraw/zinc/69/53/84/662695384.db2.gz JWZUHDAREAHEDI-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995241 662695386 /nfs/dbraw/zinc/69/53/86/662695386.db2.gz JWZUHDAREAHEDI-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCNC2=O)C1 ZINC001029254905 662698503 /nfs/dbraw/zinc/69/85/03/662698503.db2.gz GPSIAFBBFHSAKP-XJFOESAGSA-N 2 2 322.409 -1.119 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCNC2=O)C1 ZINC001029254905 662698505 /nfs/dbraw/zinc/69/85/05/662698505.db2.gz GPSIAFBBFHSAKP-XJFOESAGSA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254905 662698507 /nfs/dbraw/zinc/69/85/07/662698507.db2.gz GPSIAFBBFHSAKP-XJFOESAGSA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254905 662698509 /nfs/dbraw/zinc/69/85/09/662698509.db2.gz GPSIAFBBFHSAKP-XJFOESAGSA-N 2 2 322.409 -1.119 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC000985167009 662709599 /nfs/dbraw/zinc/70/95/99/662709599.db2.gz BLVVIWFVHRLEBV-XYPYZODXSA-N 2 2 319.369 -1.011 20 0 DAADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000897716735 662745105 /nfs/dbraw/zinc/74/51/05/662745105.db2.gz KFSNCGWXDDPYKN-CHWSQXEVSA-N 2 2 311.430 -1.441 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990615597 662767773 /nfs/dbraw/zinc/76/77/73/662767773.db2.gz CZVBXJXEFHEYED-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990615597 662767774 /nfs/dbraw/zinc/76/77/74/662767774.db2.gz CZVBXJXEFHEYED-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990615597 662767776 /nfs/dbraw/zinc/76/77/76/662767776.db2.gz CZVBXJXEFHEYED-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990615597 662767778 /nfs/dbraw/zinc/76/77/78/662767778.db2.gz CZVBXJXEFHEYED-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000990629006 662768897 /nfs/dbraw/zinc/76/88/97/662768897.db2.gz HRANJNQOODYGKO-CYBMUJFWSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000990629006 662768898 /nfs/dbraw/zinc/76/88/98/662768898.db2.gz HRANJNQOODYGKO-CYBMUJFWSA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628956 662769428 /nfs/dbraw/zinc/76/94/28/662769428.db2.gz HLVJTUCRCRNVQT-OCCSQVGLSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628956 662769431 /nfs/dbraw/zinc/76/94/31/662769431.db2.gz HLVJTUCRCRNVQT-OCCSQVGLSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990628956 662769433 /nfs/dbraw/zinc/76/94/33/662769433.db2.gz HLVJTUCRCRNVQT-OCCSQVGLSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990628956 662769436 /nfs/dbraw/zinc/76/94/36/662769436.db2.gz HLVJTUCRCRNVQT-OCCSQVGLSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCN1C(=O)CNC1=O ZINC001038114468 662769757 /nfs/dbraw/zinc/76/97/57/662769757.db2.gz FVFOUJUAEROVKO-NEPJUHHUSA-N 2 2 323.397 -1.177 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCN1C(=O)CNC1=O ZINC001038114468 662769759 /nfs/dbraw/zinc/76/97/59/662769759.db2.gz FVFOUJUAEROVKO-NEPJUHHUSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001038114468 662769761 /nfs/dbraw/zinc/76/97/61/662769761.db2.gz FVFOUJUAEROVKO-NEPJUHHUSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001038114468 662769764 /nfs/dbraw/zinc/76/97/64/662769764.db2.gz FVFOUJUAEROVKO-NEPJUHHUSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675325 662778618 /nfs/dbraw/zinc/77/86/18/662778618.db2.gz QUNSWAHGISICAB-CYBMUJFWSA-N 2 2 323.441 -1.297 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675325 662778621 /nfs/dbraw/zinc/77/86/21/662778621.db2.gz QUNSWAHGISICAB-CYBMUJFWSA-N 2 2 323.441 -1.297 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000905012758 662793183 /nfs/dbraw/zinc/79/31/83/662793183.db2.gz DMRGCMFKRSGLJL-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000905012756 662793321 /nfs/dbraw/zinc/79/33/21/662793321.db2.gz DMRGCMFKRSGLJL-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000905017813 662793992 /nfs/dbraw/zinc/79/39/92/662793992.db2.gz WTTWCRFSHZWZTP-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000905021512 662794950 /nfs/dbraw/zinc/79/49/50/662794950.db2.gz MRQHDBNCTVPFLC-LBPRGKRZSA-N 2 2 312.414 -1.014 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000905021512 662794953 /nfs/dbraw/zinc/79/49/53/662794953.db2.gz MRQHDBNCTVPFLC-LBPRGKRZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH2+]CCOCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905361654 662795257 /nfs/dbraw/zinc/79/52/57/662795257.db2.gz IVONSRRPWBVBKA-UHFFFAOYSA-N 2 2 309.432 -1.136 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000910922963 663134406 /nfs/dbraw/zinc/13/44/06/663134406.db2.gz IEGTTZLLWLGNAV-ZIAGYGMSSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910922963 663134408 /nfs/dbraw/zinc/13/44/08/663134408.db2.gz IEGTTZLLWLGNAV-ZIAGYGMSSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000910922953 663134974 /nfs/dbraw/zinc/13/49/74/663134974.db2.gz IEGTTZLLWLGNAV-KBPBESRZSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910922953 663134976 /nfs/dbraw/zinc/13/49/76/663134976.db2.gz IEGTTZLLWLGNAV-KBPBESRZSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035312 663135882 /nfs/dbraw/zinc/13/58/82/663135882.db2.gz SQCPAKLMXUZSTL-LBPRGKRZSA-N 3 2 323.441 -1.121 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035312 663135883 /nfs/dbraw/zinc/13/58/83/663135883.db2.gz SQCPAKLMXUZSTL-LBPRGKRZSA-N 3 2 323.441 -1.121 20 0 DAADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911097482 663136963 /nfs/dbraw/zinc/13/69/63/663136963.db2.gz RCLOKYKVMWAKPH-UHFFFAOYSA-N 2 2 322.413 -1.281 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000911228495 663140143 /nfs/dbraw/zinc/14/01/43/663140143.db2.gz GMXAEXQUGDFNGN-RYUDHWBXSA-N 2 2 309.370 -1.165 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000991752688 663193104 /nfs/dbraw/zinc/19/31/04/663193104.db2.gz HZZPFMVHYNQCGY-ZDUSSCGKSA-N 2 2 321.381 -1.151 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000991752688 663193105 /nfs/dbraw/zinc/19/31/05/663193105.db2.gz HZZPFMVHYNQCGY-ZDUSSCGKSA-N 2 2 321.381 -1.151 20 0 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-1.095 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035480730 663684288 /nfs/dbraw/zinc/68/42/88/663684288.db2.gz AWPABXWEFYIOLT-ZIAGYGMSSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035480729 663684305 /nfs/dbraw/zinc/68/43/05/663684305.db2.gz AWPABXWEFYIOLT-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035480729 663684306 /nfs/dbraw/zinc/68/43/06/663684306.db2.gz AWPABXWEFYIOLT-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035480729 663684307 /nfs/dbraw/zinc/68/43/07/663684307.db2.gz AWPABXWEFYIOLT-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035480729 663684308 /nfs/dbraw/zinc/68/43/08/663684308.db2.gz AWPABXWEFYIOLT-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP NS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000740423503 663794197 /nfs/dbraw/zinc/79/41/97/663794197.db2.gz KLQSJTJZPQVGFI-CHWSQXEVSA-N 2 2 320.459 -1.052 20 0 DAADLP NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000740423503 663794201 /nfs/dbraw/zinc/79/42/01/663794201.db2.gz KLQSJTJZPQVGFI-CHWSQXEVSA-N 2 2 320.459 -1.052 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414304 663868008 /nfs/dbraw/zinc/86/80/08/663868008.db2.gz SQAFTUSCUGBNJO-JQWIXIFHSA-N 2 2 323.397 -1.131 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414304 663868010 /nfs/dbraw/zinc/86/80/10/663868010.db2.gz SQAFTUSCUGBNJO-JQWIXIFHSA-N 2 2 323.397 -1.131 20 0 DAADLP O=S(=O)(C1C[NH+](CC2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000843054871 663877835 /nfs/dbraw/zinc/87/78/35/663877835.db2.gz LPJFQTSBIPQIMT-UHFFFAOYSA-N 3 2 302.444 -1.095 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852897384 663899233 /nfs/dbraw/zinc/89/92/33/663899233.db2.gz PVKDAWPNPHEIAY-LBPRGKRZSA-N 2 2 314.386 -1.103 20 0 DAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000863774010 663927043 /nfs/dbraw/zinc/92/70/43/663927043.db2.gz NSLYNKSMHXACHS-RYUDHWBXSA-N 2 2 316.402 -2.057 20 0 DAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000863774008 663927135 /nfs/dbraw/zinc/92/71/35/663927135.db2.gz NSLYNKSMHXACHS-NEPJUHHUSA-N 2 2 316.402 -2.057 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418784 663934175 /nfs/dbraw/zinc/93/41/75/663934175.db2.gz KOEFEXWBDNTWTQ-IHRRRGAJSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000923619686 663936555 /nfs/dbraw/zinc/93/65/55/663936555.db2.gz KNWREVSLGWBTOM-ZDUSSCGKSA-N 2 2 319.475 -1.391 20 0 DAADLP C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000923621343 663937433 /nfs/dbraw/zinc/93/74/33/663937433.db2.gz TYYKKFQKAZYFIR-NWDGAFQWSA-N 2 2 306.432 -1.477 20 0 DAADLP C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000923621343 663937435 /nfs/dbraw/zinc/93/74/35/663937435.db2.gz TYYKKFQKAZYFIR-NWDGAFQWSA-N 2 2 306.432 -1.477 20 0 DAADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873266380 663941335 /nfs/dbraw/zinc/94/13/35/663941335.db2.gz MYDBRLLQNUGFTQ-UMVBOHGHSA-N 2 2 313.398 -1.029 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000876986893 663949492 /nfs/dbraw/zinc/94/94/92/663949492.db2.gz NSMZCKXSJGWSQK-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000926319482 663982470 /nfs/dbraw/zinc/98/24/70/663982470.db2.gz HCRCJOZLGPMKRF-CQSZACIVSA-N 2 2 323.441 -1.296 20 0 DAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000926319482 663982473 /nfs/dbraw/zinc/98/24/73/663982473.db2.gz HCRCJOZLGPMKRF-CQSZACIVSA-N 2 2 323.441 -1.296 20 0 DAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000926319481 663982686 /nfs/dbraw/zinc/98/26/86/663982686.db2.gz HCRCJOZLGPMKRF-AWEZNQCLSA-N 2 2 323.441 -1.296 20 0 DAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000926319481 663982687 /nfs/dbraw/zinc/98/26/87/663982687.db2.gz HCRCJOZLGPMKRF-AWEZNQCLSA-N 2 2 323.441 -1.296 20 0 DAADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931879256 663996216 /nfs/dbraw/zinc/99/62/16/663996216.db2.gz WUJGMZVUNSTBMG-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931879256 663996218 /nfs/dbraw/zinc/99/62/18/663996218.db2.gz WUJGMZVUNSTBMG-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948809 664000309 /nfs/dbraw/zinc/00/03/09/664000309.db2.gz UENMEBGYFPHALW-RYUDHWBXSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948809 664000313 /nfs/dbraw/zinc/00/03/13/664000313.db2.gz UENMEBGYFPHALW-RYUDHWBXSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948809 664000316 /nfs/dbraw/zinc/00/03/16/664000316.db2.gz UENMEBGYFPHALW-RYUDHWBXSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948809 664000322 /nfs/dbraw/zinc/00/03/22/664000322.db2.gz UENMEBGYFPHALW-RYUDHWBXSA-N 2 2 309.432 -1.464 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700728 664001737 /nfs/dbraw/zinc/00/17/37/664001737.db2.gz SLYQRLCMMNMTOZ-AGIUHOORSA-N 2 2 323.459 -1.218 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700728 664001741 /nfs/dbraw/zinc/00/17/41/664001741.db2.gz SLYQRLCMMNMTOZ-AGIUHOORSA-N 2 2 323.459 -1.218 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700728 664001744 /nfs/dbraw/zinc/00/17/44/664001744.db2.gz SLYQRLCMMNMTOZ-AGIUHOORSA-N 2 2 323.459 -1.218 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700728 664001749 /nfs/dbraw/zinc/00/17/49/664001749.db2.gz SLYQRLCMMNMTOZ-AGIUHOORSA-N 2 2 323.459 -1.218 20 0 DAADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935980673 664006339 /nfs/dbraw/zinc/00/63/39/664006339.db2.gz LEWVNXFPFCHMEO-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222391 664247735 /nfs/dbraw/zinc/24/77/35/664247735.db2.gz CGTQTEYQIRVZDK-YPMHNXCESA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222391 664247738 /nfs/dbraw/zinc/24/77/38/664247738.db2.gz CGTQTEYQIRVZDK-YPMHNXCESA-N 2 2 317.349 -1.158 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000958474155 664269124 /nfs/dbraw/zinc/26/91/24/664269124.db2.gz GWCKPDAUABIFHM-RFQIPJPRSA-N 2 2 320.397 -1.345 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000958474155 664269131 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DAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007992499 664498709 /nfs/dbraw/zinc/49/87/09/664498709.db2.gz XNWLLFHHCZQAHC-BTJONVMOSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007992499 664498712 /nfs/dbraw/zinc/49/87/12/664498712.db2.gz XNWLLFHHCZQAHC-BTJONVMOSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992499 664498716 /nfs/dbraw/zinc/49/87/16/664498716.db2.gz XNWLLFHHCZQAHC-BTJONVMOSA-N 2 2 322.409 -1.085 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014471086 664554990 /nfs/dbraw/zinc/55/49/90/664554990.db2.gz LSMLLHFWVDDCFW-LBPRGKRZSA-N 2 2 322.413 -1.005 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014471086 664554991 /nfs/dbraw/zinc/55/49/91/664554991.db2.gz LSMLLHFWVDDCFW-LBPRGKRZSA-N 2 2 322.413 -1.005 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015323874 664562074 /nfs/dbraw/zinc/56/20/74/664562074.db2.gz LUAQVNYRDVVNOF-WVIDZAQPSA-N 2 2 308.382 -1.475 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015323874 664562075 /nfs/dbraw/zinc/56/20/75/664562075.db2.gz LUAQVNYRDVVNOF-WVIDZAQPSA-N 2 2 308.382 -1.475 20 0 DAADLP NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015323874 664562077 /nfs/dbraw/zinc/56/20/77/664562077.db2.gz LUAQVNYRDVVNOF-WVIDZAQPSA-N 2 2 308.382 -1.475 20 0 DAADLP NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015323874 664562078 /nfs/dbraw/zinc/56/20/78/664562078.db2.gz LUAQVNYRDVVNOF-WVIDZAQPSA-N 2 2 308.382 -1.475 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016551840 664575761 /nfs/dbraw/zinc/57/57/61/664575761.db2.gz FZJNSNVXCBALLE-NEPJUHHUSA-N 2 2 310.398 -1.227 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016551840 664575763 /nfs/dbraw/zinc/57/57/63/664575763.db2.gz FZJNSNVXCBALLE-NEPJUHHUSA-N 2 2 310.398 -1.227 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001018628117 664588354 /nfs/dbraw/zinc/58/83/54/664588354.db2.gz JZODQQRZGUVOSX-WDEREUQCSA-N 2 2 308.386 -1.107 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001018628117 664588356 /nfs/dbraw/zinc/58/83/56/664588356.db2.gz JZODQQRZGUVOSX-WDEREUQCSA-N 2 2 308.386 -1.107 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001020045745 664608189 /nfs/dbraw/zinc/60/81/89/664608189.db2.gz KATMWYAJUIOIHP-BJDJZHNGSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001020045745 664608190 /nfs/dbraw/zinc/60/81/90/664608190.db2.gz KATMWYAJUIOIHP-BJDJZHNGSA-N 2 2 323.401 -1.162 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020045779 664608223 /nfs/dbraw/zinc/60/82/23/664608223.db2.gz KXFHUKZOJYTERN-SRVKXCTJSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020045779 664608225 /nfs/dbraw/zinc/60/82/25/664608225.db2.gz KXFHUKZOJYTERN-SRVKXCTJSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001020045939 664608285 /nfs/dbraw/zinc/60/82/85/664608285.db2.gz PQMDRIFSLLVZAC-NQBHXWOUSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001020045939 664608287 /nfs/dbraw/zinc/60/82/87/664608287.db2.gz PQMDRIFSLLVZAC-NQBHXWOUSA-N 2 2 308.386 -1.118 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001020045747 664608456 /nfs/dbraw/zinc/60/84/56/664608456.db2.gz KATMWYAJUIOIHP-FIQHERPVSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001020045747 664608459 /nfs/dbraw/zinc/60/84/59/664608459.db2.gz KATMWYAJUIOIHP-FIQHERPVSA-N 2 2 323.401 -1.162 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045987 664608553 /nfs/dbraw/zinc/60/85/53/664608553.db2.gz QXBFBOHOFXTWFU-GMTAPVOTSA-N 2 2 309.374 -1.723 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045987 664608555 /nfs/dbraw/zinc/60/85/55/664608555.db2.gz QXBFBOHOFXTWFU-GMTAPVOTSA-N 2 2 309.374 -1.723 20 0 DAADLP C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+]1CCSCC1 ZINC000913182451 677823256 /nfs/dbraw/zinc/82/32/56/677823256.db2.gz HOXUMOAPTAAVQU-YPMHNXCESA-N 2 2 303.428 -1.109 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076364873 677740253 /nfs/dbraw/zinc/74/02/53/677740253.db2.gz WYDYVHHDCQJDOD-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076364873 677740255 /nfs/dbraw/zinc/74/02/55/677740255.db2.gz WYDYVHHDCQJDOD-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077034360 677780065 /nfs/dbraw/zinc/78/00/65/677780065.db2.gz UXQLHJIDCDTLQH-CHWSQXEVSA-N 2 2 308.382 -1.085 20 0 DAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077034360 677780066 /nfs/dbraw/zinc/78/00/66/677780066.db2.gz UXQLHJIDCDTLQH-CHWSQXEVSA-N 2 2 308.382 -1.085 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)O1 ZINC001083565085 677785914 /nfs/dbraw/zinc/78/59/14/677785914.db2.gz AELFZYPVSVWJDX-FVCCEPFGSA-N 2 2 301.387 -1.751 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)O1 ZINC001083565085 677785917 /nfs/dbraw/zinc/78/59/17/677785917.db2.gz AELFZYPVSVWJDX-FVCCEPFGSA-N 2 2 301.387 -1.751 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)O1 ZINC001083565085 677785920 /nfs/dbraw/zinc/78/59/20/677785920.db2.gz AELFZYPVSVWJDX-FVCCEPFGSA-N 2 2 301.387 -1.751 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)O1 ZINC001083565085 677785922 /nfs/dbraw/zinc/78/59/22/677785922.db2.gz AELFZYPVSVWJDX-FVCCEPFGSA-N 2 2 301.387 -1.751 20 0 DAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565133 677785948 /nfs/dbraw/zinc/78/59/48/677785948.db2.gz CQHMXXGADBGYFR-FVCCEPFGSA-N 2 2 301.387 -1.487 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565133 677785950 /nfs/dbraw/zinc/78/59/50/677785950.db2.gz CQHMXXGADBGYFR-FVCCEPFGSA-N 2 2 301.387 -1.487 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565133 677785951 /nfs/dbraw/zinc/78/59/51/677785951.db2.gz CQHMXXGADBGYFR-FVCCEPFGSA-N 2 2 301.387 -1.487 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565133 677785952 /nfs/dbraw/zinc/78/59/52/677785952.db2.gz CQHMXXGADBGYFR-FVCCEPFGSA-N 2 2 301.387 -1.487 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077236333 677792947 /nfs/dbraw/zinc/79/29/47/677792947.db2.gz IMJXHAFCOZDVCQ-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077236333 677792951 /nfs/dbraw/zinc/79/29/51/677792951.db2.gz IMJXHAFCOZDVCQ-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077236333 677792958 /nfs/dbraw/zinc/79/29/58/677792958.db2.gz IMJXHAFCOZDVCQ-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077236333 677792961 /nfs/dbraw/zinc/79/29/61/677792961.db2.gz IMJXHAFCOZDVCQ-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077236331 677793208 /nfs/dbraw/zinc/79/32/08/677793208.db2.gz IMJXHAFCOZDVCQ-HZSPNIEDSA-N 2 2 322.413 -1.076 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077236331 677793214 /nfs/dbraw/zinc/79/32/14/677793214.db2.gz IMJXHAFCOZDVCQ-HZSPNIEDSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077236331 677793220 /nfs/dbraw/zinc/79/32/20/677793220.db2.gz IMJXHAFCOZDVCQ-HZSPNIEDSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077236331 677793225 /nfs/dbraw/zinc/79/32/25/677793225.db2.gz IMJXHAFCOZDVCQ-HZSPNIEDSA-N 2 2 322.413 -1.076 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083571705 677799435 /nfs/dbraw/zinc/79/94/35/677799435.db2.gz IMJXHAFCOZDVCQ-RDBSUJKOSA-N 2 2 322.413 -1.076 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083571705 677799439 /nfs/dbraw/zinc/79/94/39/677799439.db2.gz IMJXHAFCOZDVCQ-RDBSUJKOSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083571705 677799444 /nfs/dbraw/zinc/79/94/44/677799444.db2.gz IMJXHAFCOZDVCQ-RDBSUJKOSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083571705 677799448 /nfs/dbraw/zinc/79/94/48/677799448.db2.gz IMJXHAFCOZDVCQ-RDBSUJKOSA-N 2 2 322.413 -1.076 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001077394760 677803253 /nfs/dbraw/zinc/80/32/53/677803253.db2.gz BWDYWPKNUXBESI-JHJVBQTASA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001077394760 677803254 /nfs/dbraw/zinc/80/32/54/677803254.db2.gz BWDYWPKNUXBESI-JHJVBQTASA-N 2 2 321.381 -1.369 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580122 677804397 /nfs/dbraw/zinc/80/43/97/677804397.db2.gz RDZMIGQESDHFBH-BNOWGMLFSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580122 677804399 /nfs/dbraw/zinc/80/43/99/677804399.db2.gz RDZMIGQESDHFBH-BNOWGMLFSA-N 2 2 308.382 -1.011 20 0 DAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590659 677806842 /nfs/dbraw/zinc/80/68/42/677806842.db2.gz PTFVIIDGCPGYEU-BIMULSAOSA-N 2 2 312.370 -1.108 20 0 DAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590659 677806845 /nfs/dbraw/zinc/80/68/45/677806845.db2.gz PTFVIIDGCPGYEU-BIMULSAOSA-N 2 2 312.370 -1.108 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077566700 677859155 /nfs/dbraw/zinc/85/91/55/677859155.db2.gz LISFNJYFTIOLHJ-MGPQQGTHSA-N 2 2 315.414 -1.361 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077566700 677859160 /nfs/dbraw/zinc/85/91/60/677859160.db2.gz LISFNJYFTIOLHJ-MGPQQGTHSA-N 2 2 315.414 -1.361 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001077566700 677859162 /nfs/dbraw/zinc/85/91/62/677859162.db2.gz LISFNJYFTIOLHJ-MGPQQGTHSA-N 2 2 315.414 -1.361 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077566700 677859166 /nfs/dbraw/zinc/85/91/66/677859166.db2.gz LISFNJYFTIOLHJ-MGPQQGTHSA-N 2 2 315.414 -1.361 20 0 DAADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047436439 677861096 /nfs/dbraw/zinc/86/10/96/677861096.db2.gz ZTHSJNUDTIDXLN-UBHSHLNASA-N 2 2 308.382 -1.059 20 0 DAADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047436439 677861100 /nfs/dbraw/zinc/86/11/00/677861100.db2.gz ZTHSJNUDTIDXLN-UBHSHLNASA-N 2 2 308.382 -1.059 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781582 677863894 /nfs/dbraw/zinc/86/38/94/677863894.db2.gz NMGRYKYCFASFKR-MCIONIFRSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781582 677863898 /nfs/dbraw/zinc/86/38/98/677863898.db2.gz NMGRYKYCFASFKR-MCIONIFRSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781582 677863902 /nfs/dbraw/zinc/86/39/02/677863902.db2.gz NMGRYKYCFASFKR-MCIONIFRSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781582 677863905 /nfs/dbraw/zinc/86/39/05/677863905.db2.gz NMGRYKYCFASFKR-MCIONIFRSA-N 2 2 322.413 -1.219 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618556 677869620 /nfs/dbraw/zinc/86/96/20/677869620.db2.gz MFTCCOMYXRGMIE-RAIGVLPGSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618556 677869622 /nfs/dbraw/zinc/86/96/22/677869622.db2.gz MFTCCOMYXRGMIE-RAIGVLPGSA-N 2 2 312.414 -1.376 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005725 677903949 /nfs/dbraw/zinc/90/39/49/677903949.db2.gz HBFXJJKKRBTWLC-MRVWCRGKSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005725 677903952 /nfs/dbraw/zinc/90/39/52/677903952.db2.gz HBFXJJKKRBTWLC-MRVWCRGKSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005725 677903956 /nfs/dbraw/zinc/90/39/56/677903956.db2.gz HBFXJJKKRBTWLC-MRVWCRGKSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005725 677903960 /nfs/dbraw/zinc/90/39/60/677903960.db2.gz HBFXJJKKRBTWLC-MRVWCRGKSA-N 2 2 324.425 -1.232 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012299 677904006 /nfs/dbraw/zinc/90/40/06/677904006.db2.gz ZYVJNHOGIGGYMB-IJLUTSLNSA-N 2 2 310.398 -1.493 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012299 677904010 /nfs/dbraw/zinc/90/40/10/677904010.db2.gz ZYVJNHOGIGGYMB-IJLUTSLNSA-N 2 2 310.398 -1.493 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006100 677904045 /nfs/dbraw/zinc/90/40/45/677904045.db2.gz SCZRJYSAXRBRKY-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078006100 677904050 /nfs/dbraw/zinc/90/40/50/677904050.db2.gz SCZRJYSAXRBRKY-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006100 677904056 /nfs/dbraw/zinc/90/40/56/677904056.db2.gz SCZRJYSAXRBRKY-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006100 677904057 /nfs/dbraw/zinc/90/40/57/677904057.db2.gz SCZRJYSAXRBRKY-JHJVBQTASA-N 2 2 312.414 -1.422 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078011880 677904713 /nfs/dbraw/zinc/90/47/13/677904713.db2.gz MBGVVTFCXZAUEO-JHJVBQTASA-N 2 2 322.409 -1.526 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078011880 677904715 /nfs/dbraw/zinc/90/47/15/677904715.db2.gz MBGVVTFCXZAUEO-JHJVBQTASA-N 2 2 322.409 -1.526 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001078179089 677915483 /nfs/dbraw/zinc/91/54/83/677915483.db2.gz RNIDQEMSNGIDSY-FRRDWIJNSA-N 2 2 310.398 -1.478 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001078179089 677915486 /nfs/dbraw/zinc/91/54/86/677915486.db2.gz RNIDQEMSNGIDSY-FRRDWIJNSA-N 2 2 310.398 -1.478 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174610 677917044 /nfs/dbraw/zinc/91/70/44/677917044.db2.gz QIFORIGQPMDVIE-YNEHKIRRSA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174610 677917046 /nfs/dbraw/zinc/91/70/46/677917046.db2.gz QIFORIGQPMDVIE-YNEHKIRRSA-N 2 2 310.398 -1.668 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174610 677917049 /nfs/dbraw/zinc/91/70/49/677917049.db2.gz QIFORIGQPMDVIE-YNEHKIRRSA-N 2 2 310.398 -1.668 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174610 677917052 /nfs/dbraw/zinc/91/70/52/677917052.db2.gz QIFORIGQPMDVIE-YNEHKIRRSA-N 2 2 310.398 -1.668 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078514876 677927139 /nfs/dbraw/zinc/92/71/39/677927139.db2.gz ZZQZRHQAWUKUNO-QWHCGFSZSA-N 2 2 321.381 -1.021 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081579465 678085596 /nfs/dbraw/zinc/08/55/96/678085596.db2.gz BDPCHTZTZSVDFX-QWHCGFSZSA-N 2 2 323.397 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081736316 678103214 /nfs/dbraw/zinc/10/32/14/678103214.db2.gz VMVVSYQENGQBAS-CHWSQXEVSA-N 2 2 323.397 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081736319 678103378 /nfs/dbraw/zinc/10/33/78/678103378.db2.gz VMVVSYQENGQBAS-STQMWFEESA-N 2 2 323.397 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800788 678106012 /nfs/dbraw/zinc/10/60/12/678106012.db2.gz UTDIMIZZXCNVKV-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034722 678122039 /nfs/dbraw/zinc/12/20/39/678122039.db2.gz PGROFIRJZGFSRT-BFHYXJOUSA-N 2 2 313.398 -1.125 20 0 DAADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034722 678122041 /nfs/dbraw/zinc/12/20/41/678122041.db2.gz PGROFIRJZGFSRT-BFHYXJOUSA-N 2 2 313.398 -1.125 20 0 DAADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083034722 678122044 /nfs/dbraw/zinc/12/20/44/678122044.db2.gz PGROFIRJZGFSRT-BFHYXJOUSA-N 2 2 313.398 -1.125 20 0 DAADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083034722 678122048 /nfs/dbraw/zinc/12/20/48/678122048.db2.gz PGROFIRJZGFSRT-BFHYXJOUSA-N 2 2 313.398 -1.125 20 0 DAADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034723 678122245 /nfs/dbraw/zinc/12/22/45/678122245.db2.gz PGROFIRJZGFSRT-MJBXVCDLSA-N 2 2 313.398 -1.125 20 0 DAADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034723 678122246 /nfs/dbraw/zinc/12/22/46/678122246.db2.gz PGROFIRJZGFSRT-MJBXVCDLSA-N 2 2 313.398 -1.125 20 0 DAADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083034723 678122248 /nfs/dbraw/zinc/12/22/48/678122248.db2.gz PGROFIRJZGFSRT-MJBXVCDLSA-N 2 2 313.398 -1.125 20 0 DAADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083034723 678122249 /nfs/dbraw/zinc/12/22/49/678122249.db2.gz PGROFIRJZGFSRT-MJBXVCDLSA-N 2 2 313.398 -1.125 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580737 678159204 /nfs/dbraw/zinc/15/92/04/678159204.db2.gz ISIBUORHCLPAQE-STQMWFEESA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580737 678159207 /nfs/dbraw/zinc/15/92/07/678159207.db2.gz ISIBUORHCLPAQE-STQMWFEESA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580737 678159208 /nfs/dbraw/zinc/15/92/08/678159208.db2.gz ISIBUORHCLPAQE-STQMWFEESA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580737 678159209 /nfs/dbraw/zinc/15/92/09/678159209.db2.gz ISIBUORHCLPAQE-STQMWFEESA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)O1 ZINC001072851165 678165148 /nfs/dbraw/zinc/16/51/48/678165148.db2.gz MDJGMXWDJAKGBC-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)O1 ZINC001072851165 678165151 /nfs/dbraw/zinc/16/51/51/678165151.db2.gz MDJGMXWDJAKGBC-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)O1 ZINC001072851165 678165153 /nfs/dbraw/zinc/16/51/53/678165153.db2.gz MDJGMXWDJAKGBC-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)O1 ZINC001072851165 678165155 /nfs/dbraw/zinc/16/51/55/678165155.db2.gz MDJGMXWDJAKGBC-VXGBXAGGSA-N 2 2 310.398 -1.275 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040800589 678256587 /nfs/dbraw/zinc/25/65/87/678256587.db2.gz HQTOQWDOBPMMBD-HNNXBMFYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041036752 678261960 /nfs/dbraw/zinc/26/19/60/678261960.db2.gz SZTSRYJTONFCEW-OAHLLOKOSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168114 678269155 /nfs/dbraw/zinc/26/91/55/678269155.db2.gz UGIMNFYCVBEXHD-WFASDCNBSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168114 678269156 /nfs/dbraw/zinc/26/91/56/678269156.db2.gz UGIMNFYCVBEXHD-WFASDCNBSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041168114 678269158 /nfs/dbraw/zinc/26/91/58/678269158.db2.gz UGIMNFYCVBEXHD-WFASDCNBSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168114 678269159 /nfs/dbraw/zinc/26/91/59/678269159.db2.gz UGIMNFYCVBEXHD-WFASDCNBSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001043114765 678365376 /nfs/dbraw/zinc/36/53/76/678365376.db2.gz AZJNTMLEYYNEBX-LLVKDONJSA-N 2 2 321.381 -1.407 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001043114765 678365378 /nfs/dbraw/zinc/36/53/78/678365378.db2.gz AZJNTMLEYYNEBX-LLVKDONJSA-N 2 2 321.381 -1.407 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001043431322 678379633 /nfs/dbraw/zinc/37/96/33/678379633.db2.gz QMXZVGSQTVXHEH-UHFFFAOYSA-N 2 2 323.397 -1.018 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001043431322 678379635 /nfs/dbraw/zinc/37/96/35/678379635.db2.gz QMXZVGSQTVXHEH-UHFFFAOYSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045413373 678456282 /nfs/dbraw/zinc/45/62/82/678456282.db2.gz MJKUAPZMRVBYOS-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+](CC(N)=O)C1 ZINC001046501143 678483676 /nfs/dbraw/zinc/48/36/76/678483676.db2.gz KQTPFKRSENTZJL-KOXVPCQNSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+](CC(N)=O)C1 ZINC001046501143 678483678 /nfs/dbraw/zinc/48/36/78/678483678.db2.gz KQTPFKRSENTZJL-KOXVPCQNSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@@]1(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+](CC(N)=O)C1 ZINC001046501143 678483683 /nfs/dbraw/zinc/48/36/83/678483683.db2.gz KQTPFKRSENTZJL-KOXVPCQNSA-N 2 2 322.409 -1.085 20 0 DAADLP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001046530998 678484182 /nfs/dbraw/zinc/48/41/82/678484182.db2.gz GEFPXWLZSGPXTQ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001046530998 678484183 /nfs/dbraw/zinc/48/41/83/678484183.db2.gz GEFPXWLZSGPXTQ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001047183955 678502155 /nfs/dbraw/zinc/50/21/55/678502155.db2.gz XGKKOODRRLJUIX-UHFFFAOYSA-N 2 2 321.381 -1.263 20 0 DAADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333657 678509150 /nfs/dbraw/zinc/50/91/50/678509150.db2.gz NRUYZDHOILFCQY-AVGNSLFASA-N 2 2 301.387 -1.533 20 0 DAADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333657 678509155 /nfs/dbraw/zinc/50/91/55/678509155.db2.gz NRUYZDHOILFCQY-AVGNSLFASA-N 2 2 301.387 -1.533 20 0 DAADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047333657 678509157 /nfs/dbraw/zinc/50/91/57/678509157.db2.gz NRUYZDHOILFCQY-AVGNSLFASA-N 2 2 301.387 -1.533 20 0 DAADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047333657 678509162 /nfs/dbraw/zinc/50/91/62/678509162.db2.gz NRUYZDHOILFCQY-AVGNSLFASA-N 2 2 301.387 -1.533 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381550 678514357 /nfs/dbraw/zinc/51/43/57/678514357.db2.gz NUXKETVNNSULST-IHRRRGAJSA-N 2 2 324.425 -1.422 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381550 678514359 /nfs/dbraw/zinc/51/43/59/678514359.db2.gz NUXKETVNNSULST-IHRRRGAJSA-N 2 2 324.425 -1.422 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381554 678514366 /nfs/dbraw/zinc/51/43/66/678514366.db2.gz NUXKETVNNSULST-RDBSUJKOSA-N 2 2 324.425 -1.422 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381554 678514367 /nfs/dbraw/zinc/51/43/67/678514367.db2.gz NUXKETVNNSULST-RDBSUJKOSA-N 2 2 324.425 -1.422 20 0 DAADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047432022 678518364 /nfs/dbraw/zinc/51/83/64/678518364.db2.gz VFEDTOGEHJGSLA-XBFCOCLRSA-N 2 2 308.382 -1.059 20 0 DAADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047432022 678518366 /nfs/dbraw/zinc/51/83/66/678518366.db2.gz VFEDTOGEHJGSLA-XBFCOCLRSA-N 2 2 308.382 -1.059 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459344 678522045 /nfs/dbraw/zinc/52/20/45/678522045.db2.gz QSKYTDDGEQIYRY-AGIUHOORSA-N 2 2 323.397 -1.170 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459344 678522048 /nfs/dbraw/zinc/52/20/48/678522048.db2.gz QSKYTDDGEQIYRY-AGIUHOORSA-N 2 2 323.397 -1.170 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598870 678534587 /nfs/dbraw/zinc/53/45/87/678534587.db2.gz WNSWJSAYOKNSTD-SRVKXCTJSA-N 2 2 310.398 -1.541 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598870 678534590 /nfs/dbraw/zinc/53/45/90/678534590.db2.gz WNSWJSAYOKNSTD-SRVKXCTJSA-N 2 2 310.398 -1.541 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598288 678534882 /nfs/dbraw/zinc/53/48/82/678534882.db2.gz DVSCRVQCABXEQC-AVGNSLFASA-N 2 2 324.425 -1.280 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598288 678534885 /nfs/dbraw/zinc/53/48/85/678534885.db2.gz DVSCRVQCABXEQC-AVGNSLFASA-N 2 2 324.425 -1.280 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624135 678537753 /nfs/dbraw/zinc/53/77/53/678537753.db2.gz BULRWOQUDKIURT-AGIUHOORSA-N 2 2 323.397 -1.041 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624135 678537755 /nfs/dbraw/zinc/53/77/55/678537755.db2.gz BULRWOQUDKIURT-AGIUHOORSA-N 2 2 323.397 -1.041 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCOC)C[C@@H]2O)C1 ZINC001047633877 678538406 /nfs/dbraw/zinc/53/84/06/678538406.db2.gz PWCQJACTHQGTLB-MELADBBJSA-N 2 2 315.414 -1.143 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCOC)C[C@@H]2O)C1 ZINC001047633877 678538409 /nfs/dbraw/zinc/53/84/09/678538409.db2.gz PWCQJACTHQGTLB-MELADBBJSA-N 2 2 315.414 -1.143 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCOC)C[C@@H]2O)C1 ZINC001047633877 678538414 /nfs/dbraw/zinc/53/84/14/678538414.db2.gz PWCQJACTHQGTLB-MELADBBJSA-N 2 2 315.414 -1.143 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCOC)C[C@@H]2O)C1 ZINC001047633877 678538418 /nfs/dbraw/zinc/53/84/18/678538418.db2.gz PWCQJACTHQGTLB-MELADBBJSA-N 2 2 315.414 -1.143 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739096 678558394 /nfs/dbraw/zinc/55/83/94/678558394.db2.gz GVPNOXYWSHDPPQ-RQJABVFESA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739096 678558395 /nfs/dbraw/zinc/55/83/95/678558395.db2.gz GVPNOXYWSHDPPQ-RQJABVFESA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739096 678558398 /nfs/dbraw/zinc/55/83/98/678558398.db2.gz GVPNOXYWSHDPPQ-RQJABVFESA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739096 678558400 /nfs/dbraw/zinc/55/84/00/678558400.db2.gz GVPNOXYWSHDPPQ-RQJABVFESA-N 2 2 324.425 -1.029 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740181 678558454 /nfs/dbraw/zinc/55/84/54/678558454.db2.gz UZLNZMGPOAYNBQ-HZSPNIEDSA-N 2 2 324.425 -1.205 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740181 678558455 /nfs/dbraw/zinc/55/84/55/678558455.db2.gz UZLNZMGPOAYNBQ-HZSPNIEDSA-N 2 2 324.425 -1.205 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740181 678558457 /nfs/dbraw/zinc/55/84/57/678558457.db2.gz UZLNZMGPOAYNBQ-HZSPNIEDSA-N 2 2 324.425 -1.205 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740181 678558461 /nfs/dbraw/zinc/55/84/61/678558461.db2.gz UZLNZMGPOAYNBQ-HZSPNIEDSA-N 2 2 324.425 -1.205 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740310 678558564 /nfs/dbraw/zinc/55/85/64/678558564.db2.gz YSNQEEIGJZNOCE-NDBYEHHHSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740310 678558566 /nfs/dbraw/zinc/55/85/66/678558566.db2.gz YSNQEEIGJZNOCE-NDBYEHHHSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740310 678558572 /nfs/dbraw/zinc/55/85/72/678558572.db2.gz YSNQEEIGJZNOCE-NDBYEHHHSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740310 678558577 /nfs/dbraw/zinc/55/85/77/678558577.db2.gz YSNQEEIGJZNOCE-NDBYEHHHSA-N 2 2 310.398 -1.419 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739917 678558874 /nfs/dbraw/zinc/55/88/74/678558874.db2.gz QLHDEFFYQZBYEK-FRRDWIJNSA-N 2 2 310.398 -1.547 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739917 678558876 /nfs/dbraw/zinc/55/88/76/678558876.db2.gz QLHDEFFYQZBYEK-FRRDWIJNSA-N 2 2 310.398 -1.547 20 0 DAADLP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739917 678558879 /nfs/dbraw/zinc/55/88/79/678558879.db2.gz QLHDEFFYQZBYEK-FRRDWIJNSA-N 2 2 310.398 -1.547 20 0 DAADLP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739917 678558883 /nfs/dbraw/zinc/55/88/83/678558883.db2.gz QLHDEFFYQZBYEK-FRRDWIJNSA-N 2 2 310.398 -1.547 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739920 678559084 /nfs/dbraw/zinc/55/90/84/678559084.db2.gz QLHDEFFYQZBYEK-XQQFMLRXSA-N 2 2 310.398 -1.547 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739920 678559085 /nfs/dbraw/zinc/55/90/85/678559085.db2.gz QLHDEFFYQZBYEK-XQQFMLRXSA-N 2 2 310.398 -1.547 20 0 DAADLP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739920 678559086 /nfs/dbraw/zinc/55/90/86/678559086.db2.gz QLHDEFFYQZBYEK-XQQFMLRXSA-N 2 2 310.398 -1.547 20 0 DAADLP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739920 678559087 /nfs/dbraw/zinc/55/90/87/678559087.db2.gz QLHDEFFYQZBYEK-XQQFMLRXSA-N 2 2 310.398 -1.547 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049007628 678570201 /nfs/dbraw/zinc/57/02/01/678570201.db2.gz LBMZGADCTUKEQL-HZSPNIEDSA-N 2 2 324.425 -1.029 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049007628 678570205 /nfs/dbraw/zinc/57/02/05/678570205.db2.gz LBMZGADCTUKEQL-HZSPNIEDSA-N 2 2 324.425 -1.029 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049007628 678570209 /nfs/dbraw/zinc/57/02/09/678570209.db2.gz LBMZGADCTUKEQL-HZSPNIEDSA-N 2 2 324.425 -1.029 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049007628 678570212 /nfs/dbraw/zinc/57/02/12/678570212.db2.gz LBMZGADCTUKEQL-HZSPNIEDSA-N 2 2 324.425 -1.029 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057213739 678700172 /nfs/dbraw/zinc/70/01/72/678700172.db2.gz OAXYPBGDBRTICE-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057213739 678700175 /nfs/dbraw/zinc/70/01/75/678700175.db2.gz OAXYPBGDBRTICE-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642959 678734997 /nfs/dbraw/zinc/73/49/97/678734997.db2.gz ZTJSUBQAEAAYLF-UHFFFAOYSA-N 2 2 323.397 -1.015 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)C1=O ZINC001051884892 678777967 /nfs/dbraw/zinc/77/79/67/678777967.db2.gz VJPLNFIRZICCKV-NEPJUHHUSA-N 2 2 321.381 -1.000 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)C1=O ZINC001051951602 678781328 /nfs/dbraw/zinc/78/13/28/678781328.db2.gz KLAKETPBFYKAHQ-STQMWFEESA-N 2 2 321.381 -1.069 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057993963 678801312 /nfs/dbraw/zinc/80/13/12/678801312.db2.gz DYFAITYZRMTPTC-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057993963 678801316 /nfs/dbraw/zinc/80/13/16/678801316.db2.gz DYFAITYZRMTPTC-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069902549 678845787 /nfs/dbraw/zinc/84/57/87/678845787.db2.gz CLTUGJDCCWLGMC-UPJWGTAASA-N 2 2 308.386 -1.294 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069902549 678845790 /nfs/dbraw/zinc/84/57/90/678845790.db2.gz CLTUGJDCCWLGMC-UPJWGTAASA-N 2 2 308.386 -1.294 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902549 678845795 /nfs/dbraw/zinc/84/57/95/678845795.db2.gz CLTUGJDCCWLGMC-UPJWGTAASA-N 2 2 308.386 -1.294 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902549 678845797 /nfs/dbraw/zinc/84/57/97/678845797.db2.gz CLTUGJDCCWLGMC-UPJWGTAASA-N 2 2 308.386 -1.294 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069980361 678848532 /nfs/dbraw/zinc/84/85/32/678848532.db2.gz QWAOMWBXXPQJAJ-OLZOCXBDSA-N 2 2 319.369 -1.183 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069980361 678848538 /nfs/dbraw/zinc/84/85/38/678848538.db2.gz QWAOMWBXXPQJAJ-OLZOCXBDSA-N 2 2 319.369 -1.183 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070095169 678853737 /nfs/dbraw/zinc/85/37/37/678853737.db2.gz YXNUCEKNHZZWAE-OLZOCXBDSA-N 2 2 308.386 -1.292 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070095169 678853741 /nfs/dbraw/zinc/85/37/41/678853741.db2.gz YXNUCEKNHZZWAE-OLZOCXBDSA-N 2 2 308.386 -1.292 20 0 DAADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284489 678864104 /nfs/dbraw/zinc/86/41/04/678864104.db2.gz GIMNGZYPYNAJIW-UHTWSYAYSA-N 2 2 319.369 -1.034 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070284609 678864146 /nfs/dbraw/zinc/86/41/46/678864146.db2.gz LSKLNUVBWASMNF-NEPJUHHUSA-N 2 2 305.342 -1.422 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070337523 678864571 /nfs/dbraw/zinc/86/45/71/678864571.db2.gz ANURRUSPHZSYJD-NEPJUHHUSA-N 2 2 305.342 -1.491 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001071020590 678881644 /nfs/dbraw/zinc/88/16/44/678881644.db2.gz KHCIFZNUICDXLP-UHFFFAOYSA-N 2 2 323.397 -1.166 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001071020590 678881646 /nfs/dbraw/zinc/88/16/46/678881646.db2.gz KHCIFZNUICDXLP-UHFFFAOYSA-N 2 2 323.397 -1.166 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182639 782192836 /nfs/dbraw/zinc/19/28/36/782192836.db2.gz RMFYEDGRGHQDBO-RYUDHWBXSA-N 2 2 314.386 -1.991 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182639 782192840 /nfs/dbraw/zinc/19/28/40/782192840.db2.gz RMFYEDGRGHQDBO-RYUDHWBXSA-N 2 2 314.386 -1.991 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182638 782193603 /nfs/dbraw/zinc/19/36/03/782193603.db2.gz RMFYEDGRGHQDBO-NWDGAFQWSA-N 2 2 314.386 -1.991 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182638 782193605 /nfs/dbraw/zinc/19/36/05/782193605.db2.gz RMFYEDGRGHQDBO-NWDGAFQWSA-N 2 2 314.386 -1.991 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857804 782222991 /nfs/dbraw/zinc/22/29/91/782222991.db2.gz YRZGMKNKPFCFRA-CYBMUJFWSA-N 2 2 323.397 -1.084 20 0 DAADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1)C(N)=O ZINC001202218390 782231123 /nfs/dbraw/zinc/23/11/23/782231123.db2.gz YOAVVFKMXWSKIG-NWDGAFQWSA-N 2 2 309.370 -1.036 20 0 DAADLP Cn1nncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273927725 782228784 /nfs/dbraw/zinc/22/87/84/782228784.db2.gz HTSFXJBFLRPKQD-SCOBNMCVSA-N 2 2 308.386 -1.092 20 0 DAADLP Cn1nncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273927725 782228793 /nfs/dbraw/zinc/22/87/93/782228793.db2.gz HTSFXJBFLRPKQD-SCOBNMCVSA-N 2 2 308.386 -1.092 20 0 DAADLP COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495430 782239928 /nfs/dbraw/zinc/23/99/28/782239928.db2.gz JHYJGYLMWOUSBC-LBPRGKRZSA-N 2 2 300.359 -1.387 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466243 782250502 /nfs/dbraw/zinc/25/05/02/782250502.db2.gz OEOAMJKUIAWEIF-SRRSOLGSSA-N 2 2 323.397 -1.288 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466243 782250512 /nfs/dbraw/zinc/25/05/12/782250512.db2.gz OEOAMJKUIAWEIF-SRRSOLGSSA-N 2 2 323.397 -1.288 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466243 782250518 /nfs/dbraw/zinc/25/05/18/782250518.db2.gz OEOAMJKUIAWEIF-SRRSOLGSSA-N 2 2 323.397 -1.288 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466243 782250527 /nfs/dbraw/zinc/25/05/27/782250527.db2.gz OEOAMJKUIAWEIF-SRRSOLGSSA-N 2 2 323.397 -1.288 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872187204 782253196 /nfs/dbraw/zinc/25/31/96/782253196.db2.gz SORBEOODCFOTEI-XJKSGUPXSA-N 2 2 324.425 -1.155 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667355 782256516 /nfs/dbraw/zinc/25/65/16/782256516.db2.gz IWXOFVRTOAPSGR-UHFFFAOYSA-N 2 2 308.342 -1.272 20 0 DAADLP CCOC[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274568257 782283086 /nfs/dbraw/zinc/28/30/86/782283086.db2.gz UYFGOBFNCLYSGV-CYBMUJFWSA-N 2 2 315.414 -1.141 20 0 DAADLP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cn1cc[nH+]c1 ZINC001275045531 782301513 /nfs/dbraw/zinc/30/15/13/782301513.db2.gz JTUHMCQNSFXFFU-LLVKDONJSA-N 2 2 317.415 -1.131 20 0 DAADLP Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC[NH+](C)C)nc1=O ZINC001114750821 782373242 /nfs/dbraw/zinc/37/32/42/782373242.db2.gz OHEPOYZJHOPLCO-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC[NH+](C)C)nc1=O ZINC001114750821 782373246 /nfs/dbraw/zinc/37/32/46/782373246.db2.gz OHEPOYZJHOPLCO-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627913 782406474 /nfs/dbraw/zinc/40/64/74/782406474.db2.gz ZQFDJENZOWDECI-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627913 782406476 /nfs/dbraw/zinc/40/64/76/782406476.db2.gz ZQFDJENZOWDECI-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627913 782406479 /nfs/dbraw/zinc/40/64/79/782406479.db2.gz ZQFDJENZOWDECI-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627913 782406481 /nfs/dbraw/zinc/40/64/81/782406481.db2.gz ZQFDJENZOWDECI-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626792 782406948 /nfs/dbraw/zinc/40/69/48/782406948.db2.gz FLGCIPAFXKEEMF-XBFCOCLRSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626792 782406950 /nfs/dbraw/zinc/40/69/50/782406950.db2.gz FLGCIPAFXKEEMF-XBFCOCLRSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626792 782406951 /nfs/dbraw/zinc/40/69/51/782406951.db2.gz FLGCIPAFXKEEMF-XBFCOCLRSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626792 782406955 /nfs/dbraw/zinc/40/69/55/782406955.db2.gz FLGCIPAFXKEEMF-XBFCOCLRSA-N 2 2 324.425 -1.280 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880137 782503590 /nfs/dbraw/zinc/50/35/90/782503590.db2.gz VXFLSSBNDQFWBL-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880137 782503596 /nfs/dbraw/zinc/50/35/96/782503596.db2.gz VXFLSSBNDQFWBL-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880137 782503603 /nfs/dbraw/zinc/50/36/03/782503603.db2.gz VXFLSSBNDQFWBL-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880137 782503608 /nfs/dbraw/zinc/50/36/08/782503608.db2.gz VXFLSSBNDQFWBL-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099916173 782511119 /nfs/dbraw/zinc/51/11/19/782511119.db2.gz KBNWUZADNOOSLD-CHWSQXEVSA-N 2 2 323.397 -1.121 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099916173 782511125 /nfs/dbraw/zinc/51/11/25/782511125.db2.gz KBNWUZADNOOSLD-CHWSQXEVSA-N 2 2 323.397 -1.121 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985404 782523157 /nfs/dbraw/zinc/52/31/57/782523157.db2.gz CAHCUMJZTRFZPX-OLZOCXBDSA-N 2 2 310.402 -1.182 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985404 782523166 /nfs/dbraw/zinc/52/31/66/782523166.db2.gz CAHCUMJZTRFZPX-OLZOCXBDSA-N 2 2 310.402 -1.182 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100077254 782546917 /nfs/dbraw/zinc/54/69/17/782546917.db2.gz ZLWYTSHIDWYVNI-MNOVXSKESA-N 2 2 302.375 -2.399 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100077254 782546921 /nfs/dbraw/zinc/54/69/21/782546921.db2.gz ZLWYTSHIDWYVNI-MNOVXSKESA-N 2 2 302.375 -2.399 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074015 782547161 /nfs/dbraw/zinc/54/71/61/782547161.db2.gz IMZYEJBIFKPUOO-NEPJUHHUSA-N 2 2 316.402 -2.138 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074015 782547169 /nfs/dbraw/zinc/54/71/69/782547169.db2.gz IMZYEJBIFKPUOO-NEPJUHHUSA-N 2 2 316.402 -2.138 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074024 782548324 /nfs/dbraw/zinc/54/83/24/782548324.db2.gz IMZYEJBIFKPUOO-RYUDHWBXSA-N 2 2 316.402 -2.138 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074024 782548329 /nfs/dbraw/zinc/54/83/29/782548329.db2.gz IMZYEJBIFKPUOO-RYUDHWBXSA-N 2 2 316.402 -2.138 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109856 782554654 /nfs/dbraw/zinc/55/46/54/782554654.db2.gz LOOSEYPMXRKPDW-CHWSQXEVSA-N 2 2 312.414 -1.230 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109856 782554661 /nfs/dbraw/zinc/55/46/61/782554661.db2.gz LOOSEYPMXRKPDW-CHWSQXEVSA-N 2 2 312.414 -1.230 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100633660 782581611 /nfs/dbraw/zinc/58/16/11/782581611.db2.gz IJLBOECLSLUMTM-YIZWMMSDSA-N 2 2 323.397 -1.066 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100633660 782581623 /nfs/dbraw/zinc/58/16/23/782581623.db2.gz IJLBOECLSLUMTM-YIZWMMSDSA-N 2 2 323.397 -1.066 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706626 782581782 /nfs/dbraw/zinc/58/17/82/782581782.db2.gz PWTVCZCIXHVQAC-UHFFFAOYSA-N 2 2 322.369 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789831 782585626 /nfs/dbraw/zinc/58/56/26/782585626.db2.gz JZSKZXPOALEWAO-UHFFFAOYSA-N 2 2 322.369 -1.108 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980416 782637310 /nfs/dbraw/zinc/63/73/10/782637310.db2.gz QVFUYWSJTWGDHI-RMRHIDDWSA-N 2 2 324.425 -1.110 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980416 782637314 /nfs/dbraw/zinc/63/73/14/782637314.db2.gz QVFUYWSJTWGDHI-RMRHIDDWSA-N 2 2 324.425 -1.110 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115074712 782641981 /nfs/dbraw/zinc/64/19/81/782641981.db2.gz RCNZEVVIQXGFLM-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115074712 782641984 /nfs/dbraw/zinc/64/19/84/782641984.db2.gz RCNZEVVIQXGFLM-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115074712 782641988 /nfs/dbraw/zinc/64/19/88/782641988.db2.gz RCNZEVVIQXGFLM-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115074712 782641994 /nfs/dbraw/zinc/64/19/94/782641994.db2.gz RCNZEVVIQXGFLM-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115303801 782651204 /nfs/dbraw/zinc/65/12/04/782651204.db2.gz KJOFLTOPXDFKOK-YABSGUDNSA-N 2 2 322.413 -1.005 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115303801 782651206 /nfs/dbraw/zinc/65/12/06/782651206.db2.gz KJOFLTOPXDFKOK-YABSGUDNSA-N 2 2 322.413 -1.005 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115303801 782651207 /nfs/dbraw/zinc/65/12/07/782651207.db2.gz KJOFLTOPXDFKOK-YABSGUDNSA-N 2 2 322.413 -1.005 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115303801 782651211 /nfs/dbraw/zinc/65/12/11/782651211.db2.gz KJOFLTOPXDFKOK-YABSGUDNSA-N 2 2 322.413 -1.005 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245169 782648998 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ZINC001114980591 775332064 /nfs/dbraw/zinc/33/20/64/775332064.db2.gz UTCDMROBCGDUIW-VIKVFOODSA-N 2 2 324.425 -1.157 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980591 775332074 /nfs/dbraw/zinc/33/20/74/775332074.db2.gz UTCDMROBCGDUIW-VIKVFOODSA-N 2 2 324.425 -1.157 20 0 DAADLP C[NH+]1CCN(C(=O)c2ccnc(-n3nnc(CC[NH3+])n3)c2)CC1 ZINC001167788359 775334236 /nfs/dbraw/zinc/33/42/36/775334236.db2.gz ZRRZJNXZXUYUGU-UHFFFAOYSA-N 2 2 316.369 -1.054 20 0 DAADLP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097609 775346408 /nfs/dbraw/zinc/34/64/08/775346408.db2.gz GZAKKWILLKKOJX-NSHDSACASA-N 2 2 317.415 -1.131 20 0 DAADLP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097608 775346782 /nfs/dbraw/zinc/34/67/82/775346782.db2.gz GZAKKWILLKKOJX-LLVKDONJSA-N 2 2 317.415 -1.131 20 0 DAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001161237760 775382274 /nfs/dbraw/zinc/38/22/74/775382274.db2.gz 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ZINC001168493004 775792488 /nfs/dbraw/zinc/79/24/88/775792488.db2.gz GGTDJFJSZRXJKB-UHFFFAOYSA-N 2 2 322.369 -1.046 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1=O ZINC001127780073 775863874 /nfs/dbraw/zinc/86/38/74/775863874.db2.gz VROLGGVSWSIDJB-GHMZBOCLSA-N 2 2 324.385 -1.823 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc1=O ZINC001127780073 775863879 /nfs/dbraw/zinc/86/38/79/775863879.db2.gz VROLGGVSWSIDJB-GHMZBOCLSA-N 2 2 324.385 -1.823 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001107840023 775880434 /nfs/dbraw/zinc/88/04/34/775880434.db2.gz ZVXNDSNJKYOCFJ-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001107840023 775880437 /nfs/dbraw/zinc/88/04/37/775880437.db2.gz ZVXNDSNJKYOCFJ-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001107840023 775880445 /nfs/dbraw/zinc/88/04/45/775880445.db2.gz ZVXNDSNJKYOCFJ-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001107840023 775880454 /nfs/dbraw/zinc/88/04/54/775880454.db2.gz ZVXNDSNJKYOCFJ-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833078 775972959 /nfs/dbraw/zinc/97/29/59/775972959.db2.gz IICAUZNBVVUQEB-UHTWSYAYSA-N 2 2 312.414 -1.247 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833078 775972967 /nfs/dbraw/zinc/97/29/67/775972967.db2.gz IICAUZNBVVUQEB-UHTWSYAYSA-N 2 2 312.414 -1.247 20 0 DAADLP C[N@@H+]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069055 775976815 /nfs/dbraw/zinc/97/68/15/775976815.db2.gz FZOBJPZSSKPBGW-XJKSGUPXSA-N 2 2 324.425 -1.134 20 0 DAADLP C[N@H+]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069055 775976824 /nfs/dbraw/zinc/97/68/24/775976824.db2.gz FZOBJPZSSKPBGW-XJKSGUPXSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069055 775976831 /nfs/dbraw/zinc/97/68/31/775976831.db2.gz FZOBJPZSSKPBGW-XJKSGUPXSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069055 775976842 /nfs/dbraw/zinc/97/68/42/775976842.db2.gz FZOBJPZSSKPBGW-XJKSGUPXSA-N 2 2 324.425 -1.134 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273069672 775977757 /nfs/dbraw/zinc/97/77/57/775977757.db2.gz MGZLCZIKDNMEGF-IHRRRGAJSA-N 2 2 324.425 -1.184 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273069672 775977768 /nfs/dbraw/zinc/97/77/68/775977768.db2.gz MGZLCZIKDNMEGF-IHRRRGAJSA-N 2 2 324.425 -1.184 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273069672 775977777 /nfs/dbraw/zinc/97/77/77/775977777.db2.gz MGZLCZIKDNMEGF-IHRRRGAJSA-N 2 2 324.425 -1.184 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273069672 775977787 /nfs/dbraw/zinc/97/77/87/775977787.db2.gz MGZLCZIKDNMEGF-IHRRRGAJSA-N 2 2 324.425 -1.184 20 0 DAADLP C[N@@H+]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069053 775978321 /nfs/dbraw/zinc/97/83/21/775978321.db2.gz FZOBJPZSSKPBGW-CZUORRHYSA-N 2 2 324.425 -1.134 20 0 DAADLP C[N@H+]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069053 775978326 /nfs/dbraw/zinc/97/83/26/775978326.db2.gz FZOBJPZSSKPBGW-CZUORRHYSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069053 775978327 /nfs/dbraw/zinc/97/83/27/775978327.db2.gz FZOBJPZSSKPBGW-CZUORRHYSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069053 775978333 /nfs/dbraw/zinc/97/83/33/775978333.db2.gz FZOBJPZSSKPBGW-CZUORRHYSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128967729 776038361 /nfs/dbraw/zinc/03/83/61/776038361.db2.gz ZCQMVXOFZLAZRS-UHFFFAOYSA-N 2 2 322.369 -1.010 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128967729 776038369 /nfs/dbraw/zinc/03/83/69/776038369.db2.gz ZCQMVXOFZLAZRS-UHFFFAOYSA-N 2 2 322.369 -1.010 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129139490 776052898 /nfs/dbraw/zinc/05/28/98/776052898.db2.gz LALILBDPJFEIDA-OLZOCXBDSA-N 2 2 319.369 -1.101 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129139490 776052902 /nfs/dbraw/zinc/05/29/02/776052902.db2.gz LALILBDPJFEIDA-OLZOCXBDSA-N 2 2 319.369 -1.101 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001081733515 776118286 /nfs/dbraw/zinc/11/82/86/776118286.db2.gz UZRMYKNGJUALCX-RYUDHWBXSA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001081733514 776118652 /nfs/dbraw/zinc/11/86/52/776118652.db2.gz UZRMYKNGJUALCX-NWDGAFQWSA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)no1 ZINC001090380427 776129751 /nfs/dbraw/zinc/12/97/51/776129751.db2.gz DIPAYHCIXCRTIQ-WCQYABFASA-N 2 2 312.370 -1.107 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)no1 ZINC001090380427 776129759 /nfs/dbraw/zinc/12/97/59/776129759.db2.gz DIPAYHCIXCRTIQ-WCQYABFASA-N 2 2 312.370 -1.107 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)no1 ZINC001090380424 776129904 /nfs/dbraw/zinc/12/99/04/776129904.db2.gz DIPAYHCIXCRTIQ-AAEUAGOBSA-N 2 2 312.370 -1.107 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)no1 ZINC001090380424 776129912 /nfs/dbraw/zinc/12/99/12/776129912.db2.gz DIPAYHCIXCRTIQ-AAEUAGOBSA-N 2 2 312.370 -1.107 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953418 776140836 /nfs/dbraw/zinc/14/08/36/776140836.db2.gz RXVGYQBPNIPEMX-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953418 776140846 /nfs/dbraw/zinc/14/08/46/776140846.db2.gz RXVGYQBPNIPEMX-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953418 776140854 /nfs/dbraw/zinc/14/08/54/776140854.db2.gz RXVGYQBPNIPEMX-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953418 776140862 /nfs/dbraw/zinc/14/08/62/776140862.db2.gz RXVGYQBPNIPEMX-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958335 776144392 /nfs/dbraw/zinc/14/43/92/776144392.db2.gz AUPJJGVESVVUJD-WOPDTQHZSA-N 2 2 308.382 -1.868 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958335 776144398 /nfs/dbraw/zinc/14/43/98/776144398.db2.gz AUPJJGVESVVUJD-WOPDTQHZSA-N 2 2 308.382 -1.868 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959555 776145786 /nfs/dbraw/zinc/14/57/86/776145786.db2.gz YPMJHXRPGQVUEF-XQQFMLRXSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959555 776145790 /nfs/dbraw/zinc/14/57/90/776145790.db2.gz YPMJHXRPGQVUEF-XQQFMLRXSA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959215 776145963 /nfs/dbraw/zinc/14/59/63/776145963.db2.gz MBGVVTFCXZAUEO-UPJWGTAASA-N 2 2 322.409 -1.526 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959215 776145968 /nfs/dbraw/zinc/14/59/68/776145968.db2.gz MBGVVTFCXZAUEO-UPJWGTAASA-N 2 2 322.409 -1.526 20 0 DAADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052803 776159278 /nfs/dbraw/zinc/15/92/78/776159278.db2.gz IDMQVBQMYNCVEF-BNOWGMLFSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052803 776159280 /nfs/dbraw/zinc/15/92/80/776159280.db2.gz IDMQVBQMYNCVEF-BNOWGMLFSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052803 776159282 /nfs/dbraw/zinc/15/92/82/776159282.db2.gz IDMQVBQMYNCVEF-BNOWGMLFSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052803 776159284 /nfs/dbraw/zinc/15/92/84/776159284.db2.gz IDMQVBQMYNCVEF-BNOWGMLFSA-N 2 2 324.425 -1.280 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001084057594 776160394 /nfs/dbraw/zinc/16/03/94/776160394.db2.gz RNIDQEMSNGIDSY-AGIUHOORSA-N 2 2 310.398 -1.478 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001084057594 776160399 /nfs/dbraw/zinc/16/03/99/776160399.db2.gz RNIDQEMSNGIDSY-AGIUHOORSA-N 2 2 310.398 -1.478 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001084058053 776160928 /nfs/dbraw/zinc/16/09/28/776160928.db2.gz IBHVJXKOGZKEFM-OLZOCXBDSA-N 2 2 308.386 -1.465 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001084058053 776160933 /nfs/dbraw/zinc/16/09/33/776160933.db2.gz IBHVJXKOGZKEFM-OLZOCXBDSA-N 2 2 308.386 -1.465 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001084060134 776162774 /nfs/dbraw/zinc/16/27/74/776162774.db2.gz JHNSGTNVFXWEJI-UHTWSYAYSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001084060134 776162776 /nfs/dbraw/zinc/16/27/76/776162776.db2.gz JHNSGTNVFXWEJI-UHTWSYAYSA-N 2 2 323.397 -1.170 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084834225 776191003 /nfs/dbraw/zinc/19/10/03/776191003.db2.gz QXJTYWKYNKFTTI-MGPQQGTHSA-N 2 2 324.425 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084834225 776191009 /nfs/dbraw/zinc/19/10/09/776191009.db2.gz QXJTYWKYNKFTTI-MGPQQGTHSA-N 2 2 324.425 -1.027 20 0 DAADLP C/C(=C/C(=O)NC[C@]1(CO)COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000828697040 776214520 /nfs/dbraw/zinc/21/45/20/776214520.db2.gz DBXQUZTZICGFOM-ODDCISTRSA-N 2 2 313.398 -1.268 20 0 DAADLP C/C(=C/C(=O)NC[C@@]1(CO)COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000828697037 776214942 /nfs/dbraw/zinc/21/49/42/776214942.db2.gz DBXQUZTZICGFOM-JEMSNHSXSA-N 2 2 313.398 -1.268 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100018190 776234511 /nfs/dbraw/zinc/23/45/11/776234511.db2.gz PXSJEJYGGWEVMY-OLZOCXBDSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100018190 776234516 /nfs/dbraw/zinc/23/45/16/776234516.db2.gz PXSJEJYGGWEVMY-OLZOCXBDSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100018194 776234843 /nfs/dbraw/zinc/23/48/43/776234843.db2.gz PXSJEJYGGWEVMY-STQMWFEESA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100018194 776234849 /nfs/dbraw/zinc/23/48/49/776234849.db2.gz PXSJEJYGGWEVMY-STQMWFEESA-N 2 2 312.370 -1.488 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100080196 776260452 /nfs/dbraw/zinc/26/04/52/776260452.db2.gz FUBQBJWNMMMEAT-NEPJUHHUSA-N 2 2 300.403 -1.245 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100080196 776260455 /nfs/dbraw/zinc/26/04/55/776260455.db2.gz FUBQBJWNMMMEAT-NEPJUHHUSA-N 2 2 300.403 -1.245 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410700 776281696 /nfs/dbraw/zinc/28/16/96/776281696.db2.gz TXIMNKWKBSRHAL-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410700 776281701 /nfs/dbraw/zinc/28/17/01/776281701.db2.gz TXIMNKWKBSRHAL-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108410700 776281708 /nfs/dbraw/zinc/28/17/08/776281708.db2.gz TXIMNKWKBSRHAL-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108410700 776281715 /nfs/dbraw/zinc/28/17/15/776281715.db2.gz TXIMNKWKBSRHAL-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001169100684 776284886 /nfs/dbraw/zinc/28/48/86/776284886.db2.gz LHTURAVYAUMKGK-IEDVVJRASA-N 2 2 302.371 -1.999 20 0 DAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001169100684 776284891 /nfs/dbraw/zinc/28/48/91/776284891.db2.gz LHTURAVYAUMKGK-IEDVVJRASA-N 2 2 302.371 -1.999 20 0 DAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001169100686 776285399 /nfs/dbraw/zinc/28/53/99/776285399.db2.gz LHTURAVYAUMKGK-RBFUTWQMSA-N 2 2 302.371 -1.999 20 0 DAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001169100686 776285406 /nfs/dbraw/zinc/28/54/06/776285406.db2.gz LHTURAVYAUMKGK-RBFUTWQMSA-N 2 2 302.371 -1.999 20 0 DAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001169122576 776286624 /nfs/dbraw/zinc/28/66/24/776286624.db2.gz AQKCIFVNKCLDJG-JGPRNRPPSA-N 2 2 311.386 -2.081 20 0 DAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001169122576 776286629 /nfs/dbraw/zinc/28/66/29/776286629.db2.gz AQKCIFVNKCLDJG-JGPRNRPPSA-N 2 2 311.386 -2.081 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CCC1 ZINC001108552561 776302440 /nfs/dbraw/zinc/30/24/40/776302440.db2.gz OXHJJNQJVDPFLS-GFCCVEGCSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CCC1 ZINC001108552561 776302453 /nfs/dbraw/zinc/30/24/53/776302453.db2.gz OXHJJNQJVDPFLS-GFCCVEGCSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+](CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CCC1 ZINC001108552562 776302893 /nfs/dbraw/zinc/30/28/93/776302893.db2.gz OXHJJNQJVDPFLS-LBPRGKRZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+](CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CCC1 ZINC001108552562 776302904 /nfs/dbraw/zinc/30/29/04/776302904.db2.gz OXHJJNQJVDPFLS-LBPRGKRZSA-N 2 2 324.425 -1.136 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108584692 776309609 /nfs/dbraw/zinc/30/96/09/776309609.db2.gz LLJQXCCQICJRIQ-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108584692 776309617 /nfs/dbraw/zinc/30/96/17/776309617.db2.gz LLJQXCCQICJRIQ-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108591762 776310348 /nfs/dbraw/zinc/31/03/48/776310348.db2.gz DRJYLMDHXKJHDU-GFCCVEGCSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108591762 776310358 /nfs/dbraw/zinc/31/03/58/776310358.db2.gz DRJYLMDHXKJHDU-GFCCVEGCSA-N 2 2 312.414 -1.280 20 0 DAADLP Cn1cnnc1C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129380662 776327168 /nfs/dbraw/zinc/32/71/68/776327168.db2.gz KZRPUFMOPWAUGP-LBPRGKRZSA-N 2 2 320.401 -1.152 20 0 DAADLP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129380660 776327545 /nfs/dbraw/zinc/32/75/45/776327545.db2.gz KZRPUFMOPWAUGP-GFCCVEGCSA-N 2 2 320.401 -1.152 20 0 DAADLP Cn1ncc(C[NH2+]CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)n1 ZINC001129385029 776329490 /nfs/dbraw/zinc/32/94/90/776329490.db2.gz CMZBGLPZFSYEFG-CYBMUJFWSA-N 2 2 320.401 -1.152 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001110101252 776455463 /nfs/dbraw/zinc/45/54/63/776455463.db2.gz GRFXFLDEIFIEBN-WYUUTHIRSA-N 2 2 323.397 -1.146 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001110101252 776455471 /nfs/dbraw/zinc/45/54/71/776455471.db2.gz GRFXFLDEIFIEBN-WYUUTHIRSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001110101252 776455477 /nfs/dbraw/zinc/45/54/77/776455477.db2.gz GRFXFLDEIFIEBN-WYUUTHIRSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001110101252 776455483 /nfs/dbraw/zinc/45/54/83/776455483.db2.gz GRFXFLDEIFIEBN-WYUUTHIRSA-N 2 2 323.397 -1.146 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893676 776485385 /nfs/dbraw/zinc/48/53/85/776485385.db2.gz YCYPGMKOVQYGJA-NXEZZACHSA-N 2 2 315.399 -1.232 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)O1 ZINC001130180306 776495797 /nfs/dbraw/zinc/49/57/97/776495797.db2.gz MAXPBGXUADJNJB-ZYHUDNBSSA-N 2 2 323.401 -1.067 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)O1 ZINC001130180306 776495801 /nfs/dbraw/zinc/49/58/01/776495801.db2.gz MAXPBGXUADJNJB-ZYHUDNBSSA-N 2 2 323.401 -1.067 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182613 776497428 /nfs/dbraw/zinc/49/74/28/776497428.db2.gz PILISUYCFQRDQL-GMTAPVOTSA-N 2 2 311.390 -1.304 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182613 776497433 /nfs/dbraw/zinc/49/74/33/776497433.db2.gz PILISUYCFQRDQL-GMTAPVOTSA-N 2 2 311.390 -1.304 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404638 776508602 /nfs/dbraw/zinc/50/86/02/776508602.db2.gz LXQOJBDVGPVIBQ-JTQLQIEISA-N 2 2 322.369 -1.393 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477167 776512413 /nfs/dbraw/zinc/51/24/13/776512413.db2.gz BXMFBCSOASZUEY-WDEREUQCSA-N 2 2 319.365 -1.044 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130480689 776513053 /nfs/dbraw/zinc/51/30/53/776513053.db2.gz AFBOCOJGDWORMI-VIFPVBQESA-N 2 2 308.342 -1.654 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)NC(N)=O ZINC001130487927 776513442 /nfs/dbraw/zinc/51/34/42/776513442.db2.gz LFKORDOSOHUQBU-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481137 776513697 /nfs/dbraw/zinc/51/36/97/776513697.db2.gz LEJABYNBILCEBK-SNVBAGLBSA-N 2 2 322.369 -1.393 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)no1 ZINC001130645264 776523677 /nfs/dbraw/zinc/52/36/77/776523677.db2.gz FJSGMJKPCZGJGH-JTQLQIEISA-N 2 2 323.353 -1.139 20 0 DAADLP O=C([C@@H]1C[NH2+]CC(F)(F)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093520 776531002 /nfs/dbraw/zinc/53/10/02/776531002.db2.gz WPDUPAWQTZOOKQ-CABZTGNLSA-N 2 2 302.325 -1.078 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001131655845 776580594 /nfs/dbraw/zinc/58/05/94/776580594.db2.gz DOECDPYWPMOAAQ-UHFFFAOYSA-N 2 2 317.415 -1.392 20 0 DAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001132079644 776604729 /nfs/dbraw/zinc/60/47/29/776604729.db2.gz GAMGUPADCCOCBZ-UHFFFAOYSA-N 2 2 309.370 -1.162 20 0 DAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132081779 776605132 /nfs/dbraw/zinc/60/51/32/776605132.db2.gz DQDKMSKTBHUIGC-UHFFFAOYSA-N 2 2 322.369 -1.079 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082491 776606760 /nfs/dbraw/zinc/60/67/60/776606760.db2.gz PXEKXQQPDFVOPC-UHFFFAOYSA-N 2 2 317.415 -1.082 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082066 776606960 /nfs/dbraw/zinc/60/69/60/776606960.db2.gz IXNVMUMLTKKEIU-UHFFFAOYSA-N 2 2 303.388 -1.472 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049913 776688284 /nfs/dbraw/zinc/68/82/84/776688284.db2.gz ULXPDHMJIPWKFE-NXEZZACHSA-N 2 2 322.369 -1.315 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134393173 776702238 /nfs/dbraw/zinc/70/22/38/776702238.db2.gz LJCFUFSZJSTEQZ-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134396877 776702339 /nfs/dbraw/zinc/70/23/39/776702339.db2.gz HATJZNDOMKGYRS-UHFFFAOYSA-N 2 2 308.342 -1.400 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001134397509 776702587 /nfs/dbraw/zinc/70/25/87/776702587.db2.gz PFPDBNOKAOCOLZ-NSHDSACASA-N 2 2 323.353 -1.832 20 0 DAADLP COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396676 776702700 /nfs/dbraw/zinc/70/27/00/776702700.db2.gz CSLGHLYJTKSJRZ-GFCCVEGCSA-N 2 2 300.359 -1.318 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134406792 776703487 /nfs/dbraw/zinc/70/34/87/776703487.db2.gz BIGCZZVSTHWMMG-UHFFFAOYSA-N 2 2 308.342 -2.384 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135071550 776735949 /nfs/dbraw/zinc/73/59/49/776735949.db2.gz HMJLYGSBOFIUBW-BDAKNGLRSA-N 2 2 310.358 -1.123 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135071550 776735959 /nfs/dbraw/zinc/73/59/59/776735959.db2.gz HMJLYGSBOFIUBW-BDAKNGLRSA-N 2 2 310.358 -1.123 20 0 DAADLP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755205 776768777 /nfs/dbraw/zinc/76/87/77/776768777.db2.gz NMWNJVRSRICNDW-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757697 776768930 /nfs/dbraw/zinc/76/89/30/776768930.db2.gz MFDIZQZGLOOXAB-NSHDSACASA-N 2 2 300.359 -1.318 20 0 DAADLP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001135757899 776769681 /nfs/dbraw/zinc/76/96/81/776769681.db2.gz TZWCUVMFFQUUNV-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC1CCOCC1 ZINC001135760583 776770396 /nfs/dbraw/zinc/77/03/96/776770396.db2.gz OPAHKWOHNXJWCR-UHFFFAOYSA-N 2 2 309.370 -1.047 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135758145 776771624 /nfs/dbraw/zinc/77/16/24/776771624.db2.gz ZOMOGIWVPZEBKG-NSHDSACASA-N 2 2 309.370 -1.359 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540633 776789363 /nfs/dbraw/zinc/78/93/63/776789363.db2.gz QIUBBJILOWRQKX-QWHCGFSZSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540633 776789370 /nfs/dbraw/zinc/78/93/70/776789370.db2.gz QIUBBJILOWRQKX-QWHCGFSZSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540631 776790098 /nfs/dbraw/zinc/79/00/98/776790098.db2.gz QIUBBJILOWRQKX-OLZOCXBDSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540631 776790103 /nfs/dbraw/zinc/79/01/03/776790103.db2.gz QIUBBJILOWRQKX-OLZOCXBDSA-N 2 2 312.414 -1.374 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090734818 776836944 /nfs/dbraw/zinc/83/69/44/776836944.db2.gz QKSMNLSBKZTBFO-AAEUAGOBSA-N 2 2 321.381 -1.202 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090734818 776836953 /nfs/dbraw/zinc/83/69/53/776836953.db2.gz QKSMNLSBKZTBFO-AAEUAGOBSA-N 2 2 321.381 -1.202 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090811512 776853834 /nfs/dbraw/zinc/85/38/34/776853834.db2.gz CABIXPKDQMVWQY-ZIAGYGMSSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090811512 776853842 /nfs/dbraw/zinc/85/38/42/776853842.db2.gz CABIXPKDQMVWQY-ZIAGYGMSSA-N 2 2 324.425 -1.134 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808391 776854677 /nfs/dbraw/zinc/85/46/77/776854677.db2.gz KAIAQBQWWOCYGG-RYUDHWBXSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808391 776854683 /nfs/dbraw/zinc/85/46/83/776854683.db2.gz KAIAQBQWWOCYGG-RYUDHWBXSA-N 2 2 309.370 -1.511 20 0 DAADLP C[NH+]1CCN(CCCC[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001308197255 778103352 /nfs/dbraw/zinc/10/33/52/778103352.db2.gz JHMRCJZPAAUYTK-UHFFFAOYSA-N 2 2 309.418 -1.119 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203053108 779616195 /nfs/dbraw/zinc/61/61/95/779616195.db2.gz XGLHXIPVWRQNII-UHFFFAOYSA-N 2 2 308.342 -1.272 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570836 779635333 /nfs/dbraw/zinc/63/53/33/779635333.db2.gz BRZGTVSFSCXERC-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149559528 779635649 /nfs/dbraw/zinc/63/56/49/779635649.db2.gz SLDJQRCRPWJIRJ-UHFFFAOYSA-N 2 2 310.358 -1.486 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149559655 779635782 /nfs/dbraw/zinc/63/57/82/779635782.db2.gz VLSDSDCXDLSNKB-UHFFFAOYSA-N 2 2 324.385 -1.096 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001149570965 779636360 /nfs/dbraw/zinc/63/63/60/779636360.db2.gz IQUAFGAXQOZBHJ-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149982576 779645459 /nfs/dbraw/zinc/64/54/59/779645459.db2.gz LDOMJHXLYORYLF-GFCCVEGCSA-N 2 2 309.370 -1.116 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149982576 779645467 /nfs/dbraw/zinc/64/54/67/779645467.db2.gz LDOMJHXLYORYLF-GFCCVEGCSA-N 2 2 309.370 -1.116 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001149982577 779646145 /nfs/dbraw/zinc/64/61/45/779646145.db2.gz LDOMJHXLYORYLF-LBPRGKRZSA-N 2 2 309.370 -1.116 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001149982577 779646151 /nfs/dbraw/zinc/64/61/51/779646151.db2.gz LDOMJHXLYORYLF-LBPRGKRZSA-N 2 2 309.370 -1.116 20 0 DAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151065195 779671685 /nfs/dbraw/zinc/67/16/85/779671685.db2.gz IBTPFJJEWKQKRO-JTQLQIEISA-N 2 2 324.385 -1.484 20 0 DAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151065195 779671687 /nfs/dbraw/zinc/67/16/87/779671687.db2.gz IBTPFJJEWKQKRO-JTQLQIEISA-N 2 2 324.385 -1.484 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001151152385 779672924 /nfs/dbraw/zinc/67/29/24/779672924.db2.gz RIETYOZANWQYFI-LLVKDONJSA-N 2 2 311.390 -1.616 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001151156624 779673400 /nfs/dbraw/zinc/67/34/00/779673400.db2.gz FMRMEKUVBDCLMP-GFCCVEGCSA-N 2 2 310.402 -1.011 20 0 DAADLP O=C(NCC[NH2+]CCOCCO)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814980 779683850 /nfs/dbraw/zinc/68/38/50/779683850.db2.gz NOLRENAPBCOOHR-AWEZNQCLSA-N 2 2 315.414 -1.188 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001151749199 779684183 /nfs/dbraw/zinc/68/41/83/779684183.db2.gz ROHLGAHMRRIUDZ-JTQLQIEISA-N 2 2 312.374 -1.965 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001151749199 779684189 /nfs/dbraw/zinc/68/41/89/779684189.db2.gz ROHLGAHMRRIUDZ-JTQLQIEISA-N 2 2 312.374 -1.965 20 0 DAADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551078 779694624 /nfs/dbraw/zinc/69/46/24/779694624.db2.gz LJUGCMDTVLSWBB-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551078 779694628 /nfs/dbraw/zinc/69/46/28/779694628.db2.gz LJUGCMDTVLSWBB-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152551078 779694629 /nfs/dbraw/zinc/69/46/29/779694629.db2.gz LJUGCMDTVLSWBB-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152551078 779694632 /nfs/dbraw/zinc/69/46/32/779694632.db2.gz LJUGCMDTVLSWBB-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345376 779703168 /nfs/dbraw/zinc/70/31/68/779703168.db2.gz SUJOENNHSFXKKG-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001153500203 779704466 /nfs/dbraw/zinc/70/44/66/779704466.db2.gz GWICWKWJYFSPDF-NSHDSACASA-N 2 2 324.385 -1.818 20 0 DAADLP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001153495828 779704624 /nfs/dbraw/zinc/70/46/24/779704624.db2.gz OXXMEDOWOAJSCC-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500881 779704818 /nfs/dbraw/zinc/70/48/18/779704818.db2.gz YJHZKRNAZHKGRP-UHFFFAOYSA-N 2 2 303.388 -1.472 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NC[C@@H]1CCOC1 ZINC001153500564 779704911 /nfs/dbraw/zinc/70/49/11/779704911.db2.gz PCTGLJUFCJSLET-LBPRGKRZSA-N 2 2 309.370 -1.258 20 0 DAADLP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001153495829 779705235 /nfs/dbraw/zinc/70/52/35/779705235.db2.gz OXXMEDOWOAJSCC-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC(=O)NC1CC1 ZINC001153500524 779705294 /nfs/dbraw/zinc/70/52/94/779705294.db2.gz NOQOQZGKTXTOKD-JTQLQIEISA-N 2 2 322.369 -1.034 20 0 DAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157432432 779754065 /nfs/dbraw/zinc/75/40/65/779754065.db2.gz CCVBNTITUNNASU-YFKPBYRVSA-N 2 2 317.134 -1.117 20 0 DAADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001156146514 779739903 /nfs/dbraw/zinc/73/99/03/779739903.db2.gz ZZGVPRDKEUMDTD-QWRGUYRKSA-N 2 2 311.390 -1.302 20 0 DAADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001156146514 779739905 /nfs/dbraw/zinc/73/99/05/779739905.db2.gz ZZGVPRDKEUMDTD-QWRGUYRKSA-N 2 2 311.390 -1.302 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001156146023 779740189 /nfs/dbraw/zinc/74/01/89/779740189.db2.gz SASOGTQSMSVPEV-LBPRGKRZSA-N 2 2 323.401 -1.066 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001156146023 779740195 /nfs/dbraw/zinc/74/01/95/779740195.db2.gz SASOGTQSMSVPEV-LBPRGKRZSA-N 2 2 323.401 -1.066 20 0 DAADLP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001156146512 779740752 /nfs/dbraw/zinc/74/07/52/779740752.db2.gz ZZGVPRDKEUMDTD-GHMZBOCLSA-N 2 2 311.390 -1.302 20 0 DAADLP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001156146512 779740753 /nfs/dbraw/zinc/74/07/53/779740753.db2.gz ZZGVPRDKEUMDTD-GHMZBOCLSA-N 2 2 311.390 -1.302 20 0 DAADLP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294418 779751042 /nfs/dbraw/zinc/75/10/42/779751042.db2.gz YOYQJAHIVWYPPC-SNVBAGLBSA-N 2 2 310.358 -1.095 20 0 DAADLP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294418 779751049 /nfs/dbraw/zinc/75/10/49/779751049.db2.gz YOYQJAHIVWYPPC-SNVBAGLBSA-N 2 2 310.358 -1.095 20 0 DAADLP O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157496987 779755611 /nfs/dbraw/zinc/75/56/11/779755611.db2.gz LNTNVOVSGMCLLP-WWGRRREGSA-N 2 2 322.409 -1.212 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)N(C)C[C@H]1C[NH2+]CCO1)C[NH2+]C2 ZINC001157717148 779757049 /nfs/dbraw/zinc/75/70/49/779757049.db2.gz XCOORSHGDOODCX-MNOVXSKESA-N 2 2 308.386 -1.068 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001158005727 779763711 /nfs/dbraw/zinc/76/37/11/779763711.db2.gz CHQRZCDDQCEBIA-RNJOBUHISA-N 2 2 311.382 -1.026 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)COCCOCC[NH3+] ZINC001157998084 779763870 /nfs/dbraw/zinc/76/38/70/779763870.db2.gz DKBSKMHIHKHJCC-LLVKDONJSA-N 2 2 303.359 -1.658 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC001157998984 779764190 /nfs/dbraw/zinc/76/41/90/779764190.db2.gz LRQUUVXWOUMRLM-VHSXEESVSA-N 2 2 301.343 -1.370 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCC(=O)OC ZINC001157998982 779764238 /nfs/dbraw/zinc/76/42/38/779764238.db2.gz LRQUUVXWOUMRLM-NXEZZACHSA-N 2 2 301.343 -1.370 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001158005725 779764408 /nfs/dbraw/zinc/76/44/08/779764408.db2.gz CHQRZCDDQCEBIA-NDBYEHHHSA-N 2 2 311.382 -1.026 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cnn2c1C[NH2+]CC2 ZINC001158013640 779764549 /nfs/dbraw/zinc/76/45/49/779764549.db2.gz HEASJUWVMYDBKR-GFCCVEGCSA-N 2 2 307.354 -1.037 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157998967 779764855 /nfs/dbraw/zinc/76/48/55/779764855.db2.gz LLZJHFMHTIZWIP-WDEREUQCSA-N 2 2 312.370 -1.700 20 0 DAADLP O=C([C@H]1C[NH2+]CC(F)(F)C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093519 779765274 /nfs/dbraw/zinc/76/52/74/779765274.db2.gz WPDUPAWQTZOOKQ-BXKDBHETSA-N 2 2 302.325 -1.078 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091838 779766173 /nfs/dbraw/zinc/76/61/73/779766173.db2.gz IMKZKBRTNNQKEL-SMDDNHRTSA-N 3 2 306.370 -2.020 20 0 DAADLP O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158109784 779767394 /nfs/dbraw/zinc/76/73/94/779767394.db2.gz CHRJPKJESVKDQE-LYRGGWFBSA-N 3 2 319.409 -2.124 20 0 DAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158112509 779767973 /nfs/dbraw/zinc/76/79/73/779767973.db2.gz YYRVAZSOBJUXHR-CJNGLKHVSA-N 3 2 317.393 -1.051 20 0 DAADLP O=C(c1cnc2n1CC[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111930 779768531 /nfs/dbraw/zinc/76/85/31/779768531.db2.gz SRWZZZULVSVHRI-AWEZNQCLSA-N 2 2 304.354 -1.710 20 0 DAADLP O=C(c1cnc2n1CC[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111931 779768737 /nfs/dbraw/zinc/76/87/37/779768737.db2.gz SRWZZZULVSVHRI-CQSZACIVSA-N 2 2 304.354 -1.710 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001158235371 779772013 /nfs/dbraw/zinc/77/20/13/779772013.db2.gz GWLNMRNUABDYQX-WXSGPUQCSA-N 2 2 309.366 -1.144 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001158235438 779772134 /nfs/dbraw/zinc/77/21/34/779772134.db2.gz KISPRZQMGGFVEU-NAYUARGSSA-N 2 2 309.366 -1.416 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001158236001 779772922 /nfs/dbraw/zinc/77/29/22/779772922.db2.gz VJBGRYJHOMFDIS-WBIUFABUSA-N 2 2 322.365 -1.062 20 0 DAADLP [NH3+]C1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001158276884 779773132 /nfs/dbraw/zinc/77/31/32/779773132.db2.gz GDOFGXYYXGYUNJ-UHFFFAOYSA-N 3 2 319.413 -1.220 20 0 DAADLP O=C(N1CCC2(CC1)COCC(=O)N2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158327099 779774515 /nfs/dbraw/zinc/77/45/15/779774515.db2.gz RBXJVIXVYKYXBL-IAQYHMDHSA-N 2 2 308.382 -1.555 20 0 DAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001158431865 779775632 /nfs/dbraw/zinc/77/56/32/779775632.db2.gz SQXZBXZMEDJHCL-UHFFFAOYSA-N 2 2 322.369 -1.122 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001158496155 779776522 /nfs/dbraw/zinc/77/65/22/779776522.db2.gz KNAWXSOOKZPCEX-OSYQSDCSSA-N 3 2 322.409 -1.040 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158487211 779776566 /nfs/dbraw/zinc/77/65/66/779776566.db2.gz WVWFGOZAYAYMCX-NEPJUHHUSA-N 2 2 323.401 -1.331 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158487211 779776573 /nfs/dbraw/zinc/77/65/73/779776573.db2.gz WVWFGOZAYAYMCX-NEPJUHHUSA-N 2 2 323.401 -1.331 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533355 779776845 /nfs/dbraw/zinc/77/68/45/779776845.db2.gz KSDVHEXOMVZCGV-GNVXKGRQSA-N 3 2 306.410 -1.084 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001158496272 779777120 /nfs/dbraw/zinc/77/71/20/779777120.db2.gz MBEDXSCWOMUHMZ-AATLWQCWSA-N 2 2 323.357 -2.179 20 0 DAADLP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158535570 779778221 /nfs/dbraw/zinc/77/82/21/779778221.db2.gz XNBICDIOIYTWIS-YAYDYNKSSA-N 3 2 306.410 -1.083 20 0 DAADLP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001158790001 779780304 /nfs/dbraw/zinc/78/03/04/779780304.db2.gz HGRNCSZZOTZEBJ-VWYCJHECSA-N 2 2 308.386 -1.083 20 0 DAADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001159109375 779788388 /nfs/dbraw/zinc/78/83/88/779788388.db2.gz STNMYJHOHXXARN-NAWOPXAZSA-N 2 2 310.398 -1.325 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273249 779791143 /nfs/dbraw/zinc/79/11/43/779791143.db2.gz RILZNGNYUYYILW-RVMXOQNASA-N 2 2 318.381 -1.561 20 0 DAADLP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C3)n1 ZINC001159472626 779794629 /nfs/dbraw/zinc/79/46/29/779794629.db2.gz XKMSCKCJDWJFJX-NJBDSQKTSA-N 2 2 307.354 -1.206 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)C1 ZINC001159770463 779795969 /nfs/dbraw/zinc/79/59/69/779795969.db2.gz UJMBQJSPWWNGEQ-ITGHMWBKSA-N 2 2 322.409 -1.040 20 0 DAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159930293 779799099 /nfs/dbraw/zinc/79/90/99/779799099.db2.gz QWOYGLMERGBGEV-UWVGGRQHSA-N 2 2 307.358 -2.197 20 0 DAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2 ZINC001160174281 779801365 /nfs/dbraw/zinc/80/13/65/779801365.db2.gz TXZTXTIAOLWVLY-COPLHBTASA-N 2 2 309.370 -2.375 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160432546 779806115 /nfs/dbraw/zinc/80/61/15/779806115.db2.gz ZPFHCFXDYVZXIY-FOGDFJRCSA-N 2 2 302.400 -1.688 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160431770 779806601 /nfs/dbraw/zinc/80/66/01/779806601.db2.gz FGDLUQLFCMXAJJ-CMPLNLGQSA-N 2 2 302.400 -1.958 20 0 DAADLP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160492041 779807987 /nfs/dbraw/zinc/80/79/87/779807987.db2.gz CPVVSOATBHOJQD-QHOPCYEYSA-N 2 2 317.367 -1.708 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001160483302 779808267 /nfs/dbraw/zinc/80/82/67/779808267.db2.gz IFLSUHYLCOUSBN-OLZOCXBDSA-N 2 2 309.414 -1.558 20 0 DAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160492031 779808457 /nfs/dbraw/zinc/80/84/57/779808457.db2.gz CPVVSOATBHOJQD-CHIQAWFVSA-N 2 2 317.367 -1.708 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160635540 779813948 /nfs/dbraw/zinc/81/39/48/779813948.db2.gz ASSSZLQQIQTBIX-LBPRGKRZSA-N 2 2 306.370 -2.068 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640740 779814171 /nfs/dbraw/zinc/81/41/71/779814171.db2.gz NOIAYKXAQHLHCZ-BKDNQFJXSA-N 2 2 305.338 -1.278 20 0 DAADLP CN(CCC1OCCO1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160682640 779816509 /nfs/dbraw/zinc/81/65/09/779816509.db2.gz HFDJHRYZSPBTJR-GFCCVEGCSA-N 2 2 300.403 -1.042 20 0 DAADLP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CCS(=O)(=O)CC1 ZINC001160718580 779816921 /nfs/dbraw/zinc/81/69/21/779816921.db2.gz MARIQDXAEUHIAW-GXFFZTMASA-N 2 2 301.412 -1.027 20 0 DAADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CCS(=O)(=O)CC1 ZINC001160718579 779817003 /nfs/dbraw/zinc/81/70/03/779817003.db2.gz MARIQDXAEUHIAW-GWCFXTLKSA-N 2 2 301.412 -1.027 20 0 DAADLP O=C(N1CCC2(CC1)CC(=O)NC(=O)C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160715381 779817347 /nfs/dbraw/zinc/81/73/47/779817347.db2.gz BLCSTHUFPCPKQN-BZNIZROVSA-N 2 2 320.393 -1.017 20 0 DAADLP O=C(N1CCC2(CC1)CNC(=O)CO2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160772659 779817992 /nfs/dbraw/zinc/81/79/92/779817992.db2.gz UWFQYUFXPGZLRT-ABAIWWIYSA-N 2 2 308.382 -1.555 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772458 779818138 /nfs/dbraw/zinc/81/81/38/779818138.db2.gz RVIKFQUGIJEVPU-SDDRHHMPSA-N 2 2 308.382 -1.556 20 0 DAADLP O=C(N1CCC2(CC1)CNC(=O)CO2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160772660 779818464 /nfs/dbraw/zinc/81/84/64/779818464.db2.gz UWFQYUFXPGZLRT-IAQYHMDHSA-N 2 2 308.382 -1.555 20 0 DAADLP O=C(N1CCC2(CC1)CNC(=O)CO2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160772662 779818690 /nfs/dbraw/zinc/81/86/90/779818690.db2.gz UWFQYUFXPGZLRT-XHDPSFHLSA-N 2 2 308.382 -1.555 20 0 DAADLP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160823004 779819640 /nfs/dbraw/zinc/81/96/40/779819640.db2.gz BPBDTHYKVIRYGP-NHCYSSNCSA-N 2 2 307.354 -1.055 20 0 DAADLP COC(=O)c1cn2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160902068 779823379 /nfs/dbraw/zinc/82/33/79/779823379.db2.gz KYUQZEXXVSEXSV-BMIGLBTASA-N 2 2 319.365 -1.037 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C1 ZINC001161138786 779827783 /nfs/dbraw/zinc/82/77/83/779827783.db2.gz ZDOWTQKAIAJZFQ-UFBFGSQYSA-N 2 2 301.347 -2.135 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161139642 779827911 /nfs/dbraw/zinc/82/79/11/779827911.db2.gz ZMDRLYSLVHATHE-SMDDNHRTSA-N 3 2 313.402 -2.160 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C1 ZINC001161137727 779828020 /nfs/dbraw/zinc/82/80/20/779828020.db2.gz GLFLLJUYCJLZRX-PKFCDNJMSA-N 2 2 312.370 -1.573 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161138534 779828052 /nfs/dbraw/zinc/82/80/52/779828052.db2.gz UVBACQYDALKXQF-XHDPSFHLSA-N 3 2 310.398 -1.037 20 0 DAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001161239180 779830821 /nfs/dbraw/zinc/83/08/21/779830821.db2.gz XRQMRDDWSRYGDP-ZJUUUORDSA-N 2 2 315.374 -1.922 20 0 DAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001161239180 779830827 /nfs/dbraw/zinc/83/08/27/779830827.db2.gz XRQMRDDWSRYGDP-ZJUUUORDSA-N 2 2 315.374 -1.922 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN(c2ncncn2)CC1 ZINC001161247540 779832098 /nfs/dbraw/zinc/83/20/98/779832098.db2.gz HXKRYTQXXZZGBT-SDDRHHMPSA-N 2 2 303.370 -1.530 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCN1C(C)=O ZINC001161295158 779833509 /nfs/dbraw/zinc/83/35/09/779833509.db2.gz HBZRSNVIPDPTOK-NEPJUHHUSA-N 2 2 323.353 -1.488 20 0 DAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C2)CC1 ZINC001161377236 779833964 /nfs/dbraw/zinc/83/39/64/779833964.db2.gz GGQQCAWEKDBMAB-BJJXKVORSA-N 3 2 307.442 -1.038 20 0 DAADLP COC(=O)[C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCN1C(C)=O ZINC001161295359 779834768 /nfs/dbraw/zinc/83/47/68/779834768.db2.gz JNJXPCRKXQVGIX-LLVKDONJSA-N 2 2 312.370 -1.700 20 0 DAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCN1C(C)=O ZINC001161296073 779834842 /nfs/dbraw/zinc/83/48/42/779834842.db2.gz OSSRMIWGNOUILQ-WUHRBBMRSA-N 2 2 324.381 -1.831 20 0 DAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C2)CC1 ZINC001161377246 779836338 /nfs/dbraw/zinc/83/63/38/779836338.db2.gz GGQQCAWEKDBMAB-XPKDYRNWSA-N 3 2 307.442 -1.038 20 0 DAADLP C[NH+](C)CCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CCC[NH2+]C1 ZINC001161445116 779837048 /nfs/dbraw/zinc/83/70/48/779837048.db2.gz NYBVBJQFNPVJRY-ZDUSSCGKSA-N 3 2 311.430 -1.440 20 0 DAADLP C[NH+](C)CCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]C1 ZINC001161445115 779837356 /nfs/dbraw/zinc/83/73/56/779837356.db2.gz NYBVBJQFNPVJRY-CYBMUJFWSA-N 3 2 311.430 -1.440 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161477004 779838489 /nfs/dbraw/zinc/83/84/89/779838489.db2.gz GCAOQCJPUONXGK-PKFCDNJMSA-N 2 2 313.354 -1.370 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001161478740 779839054 /nfs/dbraw/zinc/83/90/54/779839054.db2.gz NXDWAROVEZWPIJ-DJUFWWRVSA-N 3 2 322.409 -1.310 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)N1C[C@@H]([NH3+])C3(COC3)C1)C[NH2+]C2 ZINC001161499794 779840445 /nfs/dbraw/zinc/84/04/45/779840445.db2.gz IISGGADKNSDBFB-MWLCHTKSSA-N 2 2 306.370 -1.329 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001161601679 779843577 /nfs/dbraw/zinc/84/35/77/779843577.db2.gz JRNGFPYIIUSFQB-MROQNXINSA-N 2 2 300.378 -1.053 20 0 DAADLP C[NH+]1CCN(c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nn2)CC1 ZINC001162435282 779851690 /nfs/dbraw/zinc/85/16/90/779851690.db2.gz CHGCCNGGMCRKTO-RDBSUJKOSA-N 2 2 319.417 -2.275 20 0 DAADLP C[NH+]1CCN(c2cccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n2)CC1 ZINC001162439450 779855668 /nfs/dbraw/zinc/85/56/68/779855668.db2.gz LRXLNPVCQANTCM-KKUMJFAQSA-N 2 2 318.429 -1.670 20 0 DAADLP C[NH+]1CCN(c2nccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n2)CC1 ZINC001162443131 779856900 /nfs/dbraw/zinc/85/69/00/779856900.db2.gz FXQZLSVLMQYDPJ-FRRDWIJNSA-N 2 2 319.417 -2.275 20 0 DAADLP C[C@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001163599981 779869454 /nfs/dbraw/zinc/86/94/54/779869454.db2.gz ZDZVITSQTWHNBW-JTQLQIEISA-N 2 2 310.358 -1.048 20 0 DAADLP C[NH+]1CCN(c2ccc(N3CC[NH2+][C@H](C(N)=O)C3)nn2)CC1 ZINC001165073059 779881253 /nfs/dbraw/zinc/88/12/53/779881253.db2.gz UWNLEKPZMWPFSY-NSHDSACASA-N 2 2 305.386 -1.508 20 0 DAADLP O=C1NCCN(c2cc[nH+]c(N3CCOCC3)n2)C12C[NH2+]C2 ZINC001165302539 779882334 /nfs/dbraw/zinc/88/23/34/779882334.db2.gz RSFICLLVJMHPTH-UHFFFAOYSA-N 2 2 304.354 -1.409 20 0 DAADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739921 779910891 /nfs/dbraw/zinc/91/08/91/779910891.db2.gz WSWIRRZIESHKIH-MCIONIFRSA-N 2 2 315.414 -1.238 20 0 DAADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739921 779910895 /nfs/dbraw/zinc/91/08/95/779910895.db2.gz WSWIRRZIESHKIH-MCIONIFRSA-N 2 2 315.414 -1.238 20 0 DAADLP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001206739921 779910896 /nfs/dbraw/zinc/91/08/96/779910896.db2.gz WSWIRRZIESHKIH-MCIONIFRSA-N 2 2 315.414 -1.238 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001208482546 779940811 /nfs/dbraw/zinc/94/08/11/779940811.db2.gz HTTYDCIKDLGITR-DDTOSNHZSA-N 2 2 323.397 -1.114 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001208482546 779940814 /nfs/dbraw/zinc/94/08/14/779940814.db2.gz HTTYDCIKDLGITR-DDTOSNHZSA-N 2 2 323.397 -1.114 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001208482546 779940820 /nfs/dbraw/zinc/94/08/20/779940820.db2.gz HTTYDCIKDLGITR-DDTOSNHZSA-N 2 2 323.397 -1.114 20 0 DAADLP 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CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730013 779983621 /nfs/dbraw/zinc/98/36/21/779983621.db2.gz BJBJEMAVCFUAJA-IJLUTSLNSA-N 2 2 316.402 -1.746 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977423 779986137 /nfs/dbraw/zinc/98/61/37/779986137.db2.gz CIFQHGHIXHWPOI-JHJVBQTASA-N 2 2 312.370 -1.294 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977423 779986144 /nfs/dbraw/zinc/98/61/44/779986144.db2.gz CIFQHGHIXHWPOI-JHJVBQTASA-N 2 2 312.370 -1.294 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216062089 780013408 /nfs/dbraw/zinc/01/34/08/780013408.db2.gz YHEOCBUTMCPRGX-RKDXNWHRSA-N 2 2 308.342 -1.416 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600007 780035409 /nfs/dbraw/zinc/03/54/09/780035409.db2.gz DXTOJYPEGRIPAF-RWMBFGLXSA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 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WZYWFRJOYOSOAS-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219358096 780084055 /nfs/dbraw/zinc/08/40/55/780084055.db2.gz WZYWFRJOYOSOAS-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358096 780084068 /nfs/dbraw/zinc/08/40/68/780084068.db2.gz WZYWFRJOYOSOAS-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411392 780093664 /nfs/dbraw/zinc/09/36/64/780093664.db2.gz HMVVSPXLDMWTDW-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411392 780093670 /nfs/dbraw/zinc/09/36/70/780093670.db2.gz HMVVSPXLDMWTDW-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411392 780093675 /nfs/dbraw/zinc/09/36/75/780093675.db2.gz HMVVSPXLDMWTDW-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411392 780093679 /nfs/dbraw/zinc/09/36/79/780093679.db2.gz HMVVSPXLDMWTDW-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219413879 780095136 /nfs/dbraw/zinc/09/51/36/780095136.db2.gz JCJYZJLPEDLCFL-HZSPNIEDSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219413879 780095143 /nfs/dbraw/zinc/09/51/43/780095143.db2.gz JCJYZJLPEDLCFL-HZSPNIEDSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219413879 780095151 /nfs/dbraw/zinc/09/51/51/780095151.db2.gz JCJYZJLPEDLCFL-HZSPNIEDSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219413879 780095156 /nfs/dbraw/zinc/09/51/56/780095156.db2.gz JCJYZJLPEDLCFL-HZSPNIEDSA-N 2 2 315.414 -1.097 20 0 DAADLP 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CC(=O)OC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676358 780133029 /nfs/dbraw/zinc/13/30/29/780133029.db2.gz HJJQYXOYUPYSIM-JTQLQIEISA-N 2 2 322.387 -2.772 20 0 DAADLP [NH3+]CCC[NH2+]CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678519 780134817 /nfs/dbraw/zinc/13/48/17/780134817.db2.gz RFVRELDKMBELFU-UHFFFAOYSA-N 3 2 307.420 -2.724 20 0 DAADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219695545 780136610 /nfs/dbraw/zinc/13/66/10/780136610.db2.gz WIFBFEGQUBXVAX-RYUDHWBXSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219695545 780136615 /nfs/dbraw/zinc/13/66/15/780136615.db2.gz WIFBFEGQUBXVAX-RYUDHWBXSA-N 2 2 300.403 -1.077 20 0 DAADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219746929 780140624 /nfs/dbraw/zinc/14/06/24/780140624.db2.gz ORVCYRUCIPQOQT-JTQLQIEISA-N 2 2 304.358 -1.319 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739043 780141801 /nfs/dbraw/zinc/14/18/01/780141801.db2.gz GABSUDSSXCRTKH-OLZOCXBDSA-N 3 2 311.430 -1.769 20 0 DAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765843 780144967 /nfs/dbraw/zinc/14/49/67/780144967.db2.gz FCWXPDXKHOIZQG-VHDGCEQUSA-N 3 2 324.473 -1.853 20 0 DAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765843 780144974 /nfs/dbraw/zinc/14/49/74/780144974.db2.gz FCWXPDXKHOIZQG-VHDGCEQUSA-N 3 2 324.473 -1.853 20 0 DAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765843 780144982 /nfs/dbraw/zinc/14/49/82/780144982.db2.gz FCWXPDXKHOIZQG-VHDGCEQUSA-N 3 2 324.473 -1.853 20 0 DAADLP [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793442 780148691 /nfs/dbraw/zinc/14/86/91/780148691.db2.gz GDVMNXWOTBNCAP-LBPRGKRZSA-N 2 2 322.417 -1.598 20 0 DAADLP C[C@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)COCC[NH2+]1 ZINC001219806414 780149374 /nfs/dbraw/zinc/14/93/74/780149374.db2.gz VOXCSFPBFGBXOW-OAHLLOKOSA-N 2 2 321.381 -1.269 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804486 780149523 /nfs/dbraw/zinc/14/95/23/780149523.db2.gz XUYLMHNHOWDOJN-DYEKYZERSA-N 2 2 312.414 -1.424 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804486 780149530 /nfs/dbraw/zinc/14/95/30/780149530.db2.gz XUYLMHNHOWDOJN-DYEKYZERSA-N 2 2 312.414 -1.424 20 0 DAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]CCC1=O ZINC001219806249 780150412 /nfs/dbraw/zinc/15/04/12/780150412.db2.gz PHNRNYWUYKPZIN-NSHDSACASA-N 2 2 319.365 -1.469 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816044 780151991 /nfs/dbraw/zinc/15/19/91/780151991.db2.gz WHJNCDNHDJKAFO-RDBSUJKOSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816044 780151993 /nfs/dbraw/zinc/15/19/93/780151993.db2.gz WHJNCDNHDJKAFO-RDBSUJKOSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816044 780151994 /nfs/dbraw/zinc/15/19/94/780151994.db2.gz WHJNCDNHDJKAFO-RDBSUJKOSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816044 780151998 /nfs/dbraw/zinc/15/19/98/780151998.db2.gz WHJNCDNHDJKAFO-RDBSUJKOSA-N 2 2 324.425 -1.137 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813714 780152073 /nfs/dbraw/zinc/15/20/73/780152073.db2.gz AQOLGTRAGJQVCE-UPJWGTAASA-N 2 2 310.398 -1.480 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813714 780152077 /nfs/dbraw/zinc/15/20/77/780152077.db2.gz AQOLGTRAGJQVCE-UPJWGTAASA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813714 780152078 /nfs/dbraw/zinc/15/20/78/780152078.db2.gz AQOLGTRAGJQVCE-UPJWGTAASA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813714 780152082 /nfs/dbraw/zinc/15/20/82/780152082.db2.gz AQOLGTRAGJQVCE-UPJWGTAASA-N 2 2 310.398 -1.480 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814379 780152614 /nfs/dbraw/zinc/15/26/14/780152614.db2.gz BNEUUYIUGSKBAW-LNSITVRQSA-N 3 2 311.430 -1.911 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833891 780153423 /nfs/dbraw/zinc/15/34/23/780153423.db2.gz LOJIBALRBSKNEX-MJVIPROJSA-N 2 2 315.370 -1.612 20 0 DAADLP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219834910 780153439 /nfs/dbraw/zinc/15/34/39/780153439.db2.gz UJZVOPBPQFGFFS-SRTKAIALSA-N 3 2 324.425 -1.552 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)NC[C@H]1C[C@@H]3C[NH2+]C[C@@H]3O1)C[NH2+]C2 ZINC001219831795 780153473 /nfs/dbraw/zinc/15/34/73/780153473.db2.gz YOIRQXIIKVWYOT-UZWSLXQKSA-N 2 2 320.397 -1.022 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833342 780153567 /nfs/dbraw/zinc/15/35/67/780153567.db2.gz CCQDRARTRBEHJU-CORIIIEPSA-N 3 2 323.397 -1.209 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833893 780153657 /nfs/dbraw/zinc/15/36/57/780153657.db2.gz LOJIBALRBSKNEX-UHIISALHSA-N 2 2 315.370 -1.612 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833347 780153781 /nfs/dbraw/zinc/15/37/81/780153781.db2.gz CCQDRARTRBEHJU-OSAQELSMSA-N 3 2 323.397 -1.209 20 0 DAADLP [NH3+]C1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1 ZINC001219837804 780154621 /nfs/dbraw/zinc/15/46/21/780154621.db2.gz MBYRCFOFOHRLIS-GXTWGEPZSA-N 3 2 312.414 -1.421 20 0 DAADLP Cc1c[nH]c(CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[nH+]1 ZINC001219952638 780166053 /nfs/dbraw/zinc/16/60/53/780166053.db2.gz YOFVLTPCJSEQRB-IUCAKERBSA-N 2 2 310.358 -1.916 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219967952 780167259 /nfs/dbraw/zinc/16/72/59/780167259.db2.gz QBPXFBFOHHBKRM-UTUOFQBUSA-N 3 2 313.402 -2.244 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965744 780167404 /nfs/dbraw/zinc/16/74/04/780167404.db2.gz ZHLMGDMINJOXLG-MXWKQRLJSA-N 2 2 324.381 -1.878 20 0 DAADLP CCn1c(N)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(=O)n(CC)c1=O ZINC001219972122 780167421 /nfs/dbraw/zinc/16/74/21/780167421.db2.gz KOLSEXPZGFMTEJ-SFYZADRCSA-N 2 2 310.358 -1.740 20 0 DAADLP CCn1c(N)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(=O)n(CC)c1=O ZINC001219972126 780167845 /nfs/dbraw/zinc/16/78/45/780167845.db2.gz KOLSEXPZGFMTEJ-YUMQZZPRSA-N 2 2 310.358 -1.740 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CSCNC(C)=O)C[NH2+]1 ZINC001219965650 780167957 /nfs/dbraw/zinc/16/79/57/780167957.db2.gz VVCBXYHQRRFWNR-UTLUCORTSA-N 2 2 318.399 -1.840 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C[NH2+]1 ZINC001219965385 780168009 /nfs/dbraw/zinc/16/80/09/780168009.db2.gz LELQJCSJAYJHCC-BDAKNGLRSA-N 2 2 322.387 -2.774 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965745 780168068 /nfs/dbraw/zinc/16/80/68/780168068.db2.gz ZHLMGDMINJOXLG-VWYCJHECSA-N 2 2 324.381 -1.878 20 0 DAADLP C[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220013241 780170948 /nfs/dbraw/zinc/17/09/48/780170948.db2.gz MVXKIYXLEWWRAQ-STQMWFEESA-N 3 2 311.430 -1.136 20 0 DAADLP N=c1sc2c(n1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC[C@H]([NH3+])C2 ZINC001220022783 780171589 /nfs/dbraw/zinc/17/15/89/780171589.db2.gz LJQLWDQMUXSTFV-WDSKDSINSA-N 2 2 308.371 -1.432 20 0 DAADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220185891 780189395 /nfs/dbraw/zinc/18/93/95/780189395.db2.gz KGCOPSVELPQEFR-ZJUUUORDSA-N 2 2 304.341 -1.322 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230491 780192209 /nfs/dbraw/zinc/19/22/09/780192209.db2.gz HNZUVAPFLVENIP-UTUOFQBUSA-N 2 2 312.414 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230491 780192213 /nfs/dbraw/zinc/19/22/13/780192213.db2.gz HNZUVAPFLVENIP-UTUOFQBUSA-N 2 2 312.414 -1.247 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)C1=O ZINC001220227188 780192530 /nfs/dbraw/zinc/19/25/30/780192530.db2.gz KRXSPUFQXZZOGU-UPJWGTAASA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)C1=O ZINC001220227188 780192536 /nfs/dbraw/zinc/19/25/36/780192536.db2.gz KRXSPUFQXZZOGU-UPJWGTAASA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220238387 780193615 /nfs/dbraw/zinc/19/36/15/780193615.db2.gz UNUGPXVMWFFWKO-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220238387 780193620 /nfs/dbraw/zinc/19/36/20/780193620.db2.gz UNUGPXVMWFFWKO-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238167 780193780 /nfs/dbraw/zinc/19/37/80/780193780.db2.gz OEMJPVGWRBSBJM-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238167 780193784 /nfs/dbraw/zinc/19/37/84/780193784.db2.gz OEMJPVGWRBSBJM-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220275233 780198567 /nfs/dbraw/zinc/19/85/67/780198567.db2.gz VYEWYXHSFRMFPV-LBPRGKRZSA-N 2 2 309.370 -1.524 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273645 780198731 /nfs/dbraw/zinc/19/87/31/780198731.db2.gz QIBSMMRSAWFQCL-BBBLOLIVSA-N 2 2 315.374 -2.317 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273645 780198736 /nfs/dbraw/zinc/19/87/36/780198736.db2.gz QIBSMMRSAWFQCL-BBBLOLIVSA-N 2 2 315.374 -2.317 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H]1O)[NH+](C)C ZINC001220376252 780206147 /nfs/dbraw/zinc/20/61/47/780206147.db2.gz SCYSFXOTBHBARS-AGIUHOORSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H]1O)[NH+](C)C ZINC001220376252 780206150 /nfs/dbraw/zinc/20/61/50/780206150.db2.gz SCYSFXOTBHBARS-AGIUHOORSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001220376105 780206691 /nfs/dbraw/zinc/20/66/91/780206691.db2.gz PAJKWGCWGXCVDN-WOPDTQHZSA-N 2 2 300.403 -1.424 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001220376105 780206694 /nfs/dbraw/zinc/20/66/94/780206694.db2.gz PAJKWGCWGXCVDN-WOPDTQHZSA-N 2 2 300.403 -1.424 20 0 DAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471528 780215623 /nfs/dbraw/zinc/21/56/23/780215623.db2.gz QWLURZRROGACGA-QMMMGPOBSA-N 2 2 320.357 -1.253 20 0 DAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471527 780216542 /nfs/dbraw/zinc/21/65/42/780216542.db2.gz QWLURZRROGACGA-MRVPVSSYSA-N 2 2 320.357 -1.253 20 0 DAADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)O1 ZINC001220481949 780217448 /nfs/dbraw/zinc/21/74/48/780217448.db2.gz WVRBQRRDVOGCJJ-HAYRHPOISA-N 2 2 313.362 -2.090 20 0 DAADLP COC(=O)[C@H]1C[C@@H](C(=O)NCCOCCOCC[NH3+])CC[NH2+]1 ZINC001220519107 780222088 /nfs/dbraw/zinc/22/20/88/780222088.db2.gz BINDZWBGWOIEBA-NWDGAFQWSA-N 2 2 317.386 -1.364 20 0 DAADLP COC(=O)CNC(=O)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220574884 780228858 /nfs/dbraw/zinc/22/88/58/780228858.db2.gz DDSLYRXHVJFUSU-LLVKDONJSA-N 2 2 308.338 -1.336 20 0 DAADLP COC(=O)CNC(=O)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220575107 780229543 /nfs/dbraw/zinc/22/95/43/780229543.db2.gz GFXWCZTUPPLJDM-SNVBAGLBSA-N 2 2 315.374 -2.858 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682814 780238268 /nfs/dbraw/zinc/23/82/68/780238268.db2.gz BPMXGPWRFXDJDU-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682814 780238272 /nfs/dbraw/zinc/23/82/72/780238272.db2.gz BPMXGPWRFXDJDU-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220682814 780238279 /nfs/dbraw/zinc/23/82/79/780238279.db2.gz BPMXGPWRFXDJDU-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682814 780238283 /nfs/dbraw/zinc/23/82/83/780238283.db2.gz BPMXGPWRFXDJDU-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682922 780238776 /nfs/dbraw/zinc/23/87/76/780238776.db2.gz HQMTUZXURHSLBX-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682922 780238784 /nfs/dbraw/zinc/23/87/84/780238784.db2.gz HQMTUZXURHSLBX-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220682922 780238790 /nfs/dbraw/zinc/23/87/90/780238790.db2.gz HQMTUZXURHSLBX-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682922 780238795 /nfs/dbraw/zinc/23/87/95/780238795.db2.gz HQMTUZXURHSLBX-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220689001 780242070 /nfs/dbraw/zinc/24/20/70/780242070.db2.gz ZSMCNGHIRKQYMK-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220689001 780242074 /nfs/dbraw/zinc/24/20/74/780242074.db2.gz ZSMCNGHIRKQYMK-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220689001 780242079 /nfs/dbraw/zinc/24/20/79/780242079.db2.gz ZSMCNGHIRKQYMK-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220689001 780242085 /nfs/dbraw/zinc/24/20/85/780242085.db2.gz ZSMCNGHIRKQYMK-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764548 780244721 /nfs/dbraw/zinc/24/47/21/780244721.db2.gz OMEUVHNLRRBEFW-WOPDTQHZSA-N 2 2 316.402 -2.010 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764548 780244727 /nfs/dbraw/zinc/24/47/27/780244727.db2.gz OMEUVHNLRRBEFW-WOPDTQHZSA-N 2 2 316.402 -2.010 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001220768894 780245149 /nfs/dbraw/zinc/24/51/49/780245149.db2.gz DLGFGRKFQDKQIY-WDEREUQCSA-N 2 2 312.326 -1.489 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764366 780245157 /nfs/dbraw/zinc/24/51/57/780245157.db2.gz IWWUBNMNUZTKOK-XQQFMLRXSA-N 2 2 312.414 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764366 780245160 /nfs/dbraw/zinc/24/51/60/780245160.db2.gz IWWUBNMNUZTKOK-XQQFMLRXSA-N 2 2 312.414 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764366 780245162 /nfs/dbraw/zinc/24/51/62/780245162.db2.gz IWWUBNMNUZTKOK-XQQFMLRXSA-N 2 2 312.414 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764366 780245164 /nfs/dbraw/zinc/24/51/64/780245164.db2.gz IWWUBNMNUZTKOK-XQQFMLRXSA-N 2 2 312.414 -1.374 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220771708 780246513 /nfs/dbraw/zinc/24/65/13/780246513.db2.gz CHDGZFFGGKNMKN-SMDDNHRTSA-N 2 2 309.370 -1.299 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CN1CC[NH2+]CC1 ZINC001220768982 780247667 /nfs/dbraw/zinc/24/76/67/780247667.db2.gz FXVAQWNWOISVTK-LBPRGKRZSA-N 2 2 309.370 -1.474 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220770495 780247693 /nfs/dbraw/zinc/24/76/93/780247693.db2.gz XQGIHURZQHMSEE-NWDGAFQWSA-N 3 2 321.381 -1.571 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC001220772325 780247777 /nfs/dbraw/zinc/24/77/77/780247777.db2.gz NEOPRXHVUBCQCU-JQWIXIFHSA-N 2 2 310.354 -1.001 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220825914 780249926 /nfs/dbraw/zinc/24/99/26/780249926.db2.gz JJSJLDXFECWIFM-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220825914 780249929 /nfs/dbraw/zinc/24/99/29/780249929.db2.gz JJSJLDXFECWIFM-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220825914 780249931 /nfs/dbraw/zinc/24/99/31/780249931.db2.gz JJSJLDXFECWIFM-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220825914 780249933 /nfs/dbraw/zinc/24/99/33/780249933.db2.gz JJSJLDXFECWIFM-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220828854 780250029 /nfs/dbraw/zinc/25/00/29/780250029.db2.gz FTMNRPQTRPUYMR-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220828854 780250032 /nfs/dbraw/zinc/25/00/32/780250032.db2.gz FTMNRPQTRPUYMR-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220828854 780250039 /nfs/dbraw/zinc/25/00/39/780250039.db2.gz FTMNRPQTRPUYMR-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830803 780251490 /nfs/dbraw/zinc/25/14/90/780251490.db2.gz JABPRTLAJUYBGF-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830803 780251495 /nfs/dbraw/zinc/25/14/95/780251495.db2.gz JABPRTLAJUYBGF-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830803 780251506 /nfs/dbraw/zinc/25/15/06/780251506.db2.gz JABPRTLAJUYBGF-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP O=C(NCCOCCN1C(=O)C=CC1=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220875966 780254424 /nfs/dbraw/zinc/25/44/24/780254424.db2.gz CPQXKRIVHNTWLY-ABAIWWIYSA-N 2 2 322.365 -2.004 20 0 DAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875088 780255384 /nfs/dbraw/zinc/25/53/84/780255384.db2.gz SCHBMBQQJOUUBL-LBPRGKRZSA-N 3 2 312.418 -2.715 20 0 DAADLP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001220871890 780255512 /nfs/dbraw/zinc/25/55/12/780255512.db2.gz BNWMJSPFZSIKFJ-AWEZNQCLSA-N 2 2 318.377 -1.046 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)N(O)N=O ZINC001220900229 780256091 /nfs/dbraw/zinc/25/60/91/780256091.db2.gz DUTKBPKKKATMRB-VIFPVBQESA-N 3 2 300.323 -2.056 20 0 DAADLP [NH3+]C1(C(=O)NCCOCCN2C(=O)C=CC2=O)CC[NH2+]CC1 ZINC001220878740 780257099 /nfs/dbraw/zinc/25/70/99/780257099.db2.gz OXMYJMWTQAQJEG-UHFFFAOYSA-N 2 2 310.354 -1.875 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976235 780264718 /nfs/dbraw/zinc/26/47/18/780264718.db2.gz PKHAVYJMIKLRAF-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976235 780264729 /nfs/dbraw/zinc/26/47/29/780264729.db2.gz PKHAVYJMIKLRAF-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976235 780264738 /nfs/dbraw/zinc/26/47/38/780264738.db2.gz PKHAVYJMIKLRAF-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976235 780264748 /nfs/dbraw/zinc/26/47/48/780264748.db2.gz PKHAVYJMIKLRAF-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220978166 780265331 /nfs/dbraw/zinc/26/53/31/780265331.db2.gz PTKLTNCWNPQKNL-OLZOCXBDSA-N 2 2 301.387 -1.748 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220978166 780265334 /nfs/dbraw/zinc/26/53/34/780265334.db2.gz PTKLTNCWNPQKNL-OLZOCXBDSA-N 2 2 301.387 -1.748 20 0 DAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981297 780266052 /nfs/dbraw/zinc/26/60/52/780266052.db2.gz OVTJHXOGWQCSJW-MJBXVCDLSA-N 2 2 315.414 -1.238 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981297 780266059 /nfs/dbraw/zinc/26/60/59/780266059.db2.gz OVTJHXOGWQCSJW-MJBXVCDLSA-N 2 2 315.414 -1.238 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056102 780270350 /nfs/dbraw/zinc/27/03/50/780270350.db2.gz FATNPZKNUXZTAC-SRVKXCTJSA-N 2 2 323.401 -1.171 20 0 DAADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020443 780271148 /nfs/dbraw/zinc/27/11/48/780271148.db2.gz UYSMJVWDFAZWNI-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020443 780271158 /nfs/dbraw/zinc/27/11/58/780271158.db2.gz UYSMJVWDFAZWNI-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020443 780271168 /nfs/dbraw/zinc/27/11/68/780271168.db2.gz UYSMJVWDFAZWNI-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020443 780271170 /nfs/dbraw/zinc/27/11/70/780271170.db2.gz UYSMJVWDFAZWNI-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093824 780275881 /nfs/dbraw/zinc/27/58/81/780275881.db2.gz YTENVENAISPQOJ-OLZOCXBDSA-N 2 2 314.430 -1.034 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093824 780275889 /nfs/dbraw/zinc/27/58/89/780275889.db2.gz YTENVENAISPQOJ-OLZOCXBDSA-N 2 2 314.430 -1.034 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093824 780275895 /nfs/dbraw/zinc/27/58/95/780275895.db2.gz YTENVENAISPQOJ-OLZOCXBDSA-N 2 2 314.430 -1.034 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093824 780275905 /nfs/dbraw/zinc/27/59/05/780275905.db2.gz YTENVENAISPQOJ-OLZOCXBDSA-N 2 2 314.430 -1.034 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091440 780275941 /nfs/dbraw/zinc/27/59/41/780275941.db2.gz OLLIUTMIQSANNM-UPJWGTAASA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091440 780275950 /nfs/dbraw/zinc/27/59/50/780275950.db2.gz OLLIUTMIQSANNM-UPJWGTAASA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091440 780275959 /nfs/dbraw/zinc/27/59/59/780275959.db2.gz OLLIUTMIQSANNM-UPJWGTAASA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091440 780275971 /nfs/dbraw/zinc/27/59/71/780275971.db2.gz OLLIUTMIQSANNM-UPJWGTAASA-N 2 2 314.430 -1.035 20 0 DAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C(=O)OC)C1 ZINC001221188104 780281350 /nfs/dbraw/zinc/28/13/50/780281350.db2.gz OBPJLSVOEVDCBD-VWYCJHECSA-N 2 2 315.370 -1.076 20 0 DAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1 ZINC001221188103 780282070 /nfs/dbraw/zinc/28/20/70/780282070.db2.gz OBPJLSVOEVDCBD-OUAUKWLOSA-N 2 2 315.370 -1.076 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@H]2NCN[C@@H]21 ZINC001221265188 780288225 /nfs/dbraw/zinc/28/82/25/780288225.db2.gz HUCWNGHKNLOGMN-AAVRWANBSA-N 2 2 302.382 -1.780 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@H]2NCN[C@H]21 ZINC001221265191 780288539 /nfs/dbraw/zinc/28/85/39/780288539.db2.gz HUCWNGHKNLOGMN-IGQOVBAYSA-N 2 2 302.382 -1.780 20 0 DAADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266038 780288678 /nfs/dbraw/zinc/28/86/78/780288678.db2.gz RTJXCAYJKTYLEY-UVOCVTCTSA-N 2 2 300.407 -1.964 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)[C@H]2NCN[C@@H]21 ZINC001221265162 780288774 /nfs/dbraw/zinc/28/87/74/780288774.db2.gz HOOVQOWTMKUNSS-SRQGCSHVSA-N 2 2 322.335 -1.564 20 0 DAADLP C[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348895 780291772 /nfs/dbraw/zinc/29/17/72/780291772.db2.gz PUFQCDUZNXBDJR-MIMYLULJSA-N 2 2 322.369 -1.740 20 0 DAADLP NC1=CC=C(C2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)[NH2+]C1 ZINC001221392693 780292762 /nfs/dbraw/zinc/29/27/62/780292762.db2.gz ZLCHFFZARFRRRD-UHFFFAOYSA-N 2 2 319.409 -1.014 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098462 780306877 /nfs/dbraw/zinc/30/68/77/780306877.db2.gz NCNZPMHTYCIRNM-JTQLQIEISA-N 2 2 308.342 -1.341 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098177 780306951 /nfs/dbraw/zinc/30/69/51/780306951.db2.gz LECLNMLOPRTXDO-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098178 780308249 /nfs/dbraw/zinc/30/82/49/780308249.db2.gz LECLNMLOPRTXDO-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001230267967 780362847 /nfs/dbraw/zinc/36/28/47/780362847.db2.gz TVLYBSTVZQRJEY-UHFFFAOYSA-N 2 2 322.369 -1.033 20 0 DAADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(CO)C3)[C@@H](O)[C@@H]2O1 ZINC001235001472 780413042 /nfs/dbraw/zinc/41/30/42/780413042.db2.gz LZJVCOJPLSWBLF-WZUGGRCDSA-N 2 2 314.382 -1.263 20 0 DAADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(CO)C3)[C@@H](O)[C@@H]2O1 ZINC001235001472 780413047 /nfs/dbraw/zinc/41/30/47/780413047.db2.gz LZJVCOJPLSWBLF-WZUGGRCDSA-N 2 2 314.382 -1.263 20 0 DAADLP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC1=CS[C@@H]([NH3+])N1 ZINC001236310467 780420096 /nfs/dbraw/zinc/42/00/96/780420096.db2.gz ZGHOIQGWLKSMIV-LBPRGKRZSA-N 3 2 302.448 -1.478 20 0 DAADLP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277985932 780421287 /nfs/dbraw/zinc/42/12/87/780421287.db2.gz PWVNBPUFLGDECT-CHWSQXEVSA-N 2 2 323.441 -1.454 20 0 DAADLP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277985932 780421291 /nfs/dbraw/zinc/42/12/91/780421291.db2.gz PWVNBPUFLGDECT-CHWSQXEVSA-N 2 2 323.441 -1.454 20 0 DAADLP CC(=O)Nc1ncc(S(=O)(=O)NCC[NH2+]CC[NH3+])s1 ZINC001238839329 780439797 /nfs/dbraw/zinc/43/97/97/780439797.db2.gz PLTPKXXUAZDTNS-UHFFFAOYSA-N 2 2 307.401 -1.072 20 0 DAADLP COC(=O)CCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438639 780444884 /nfs/dbraw/zinc/44/48/84/780444884.db2.gz HQLMGDGAWSQQOX-UHFFFAOYSA-N 2 2 317.459 -1.492 20 0 DAADLP COC(=O)C1([NH3+])CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246046357 780449391 /nfs/dbraw/zinc/44/93/91/780449391.db2.gz QXQRNIRTMYANKP-GFCCVEGCSA-N 2 2 315.414 -1.182 20 0 DAADLP CCCOC[C@@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050853 780449756 /nfs/dbraw/zinc/44/97/56/780449756.db2.gz GJILDIBUVHXHEX-ZDUSSCGKSA-N 3 2 304.435 -1.110 20 0 DAADLP CCCOC[C@@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050853 780449763 /nfs/dbraw/zinc/44/97/63/780449763.db2.gz GJILDIBUVHXHEX-ZDUSSCGKSA-N 3 2 304.435 -1.110 20 0 DAADLP COC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c(n2)C[NH2+]CCC3)CN1 ZINC001246131999 780450613 /nfs/dbraw/zinc/45/06/13/780450613.db2.gz LSRVUMICKSEYRJ-JQWIXIFHSA-N 2 2 321.381 -1.270 20 0 DAADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CN1 ZINC001246632174 780455298 /nfs/dbraw/zinc/45/52/98/780455298.db2.gz ZYHOQYWSFDQQTN-NEPJUHHUSA-N 2 2 310.398 -1.166 20 0 DAADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CN1 ZINC001246632174 780455302 /nfs/dbraw/zinc/45/53/02/780455302.db2.gz ZYHOQYWSFDQQTN-NEPJUHHUSA-N 2 2 310.398 -1.166 20 0 DAADLP CC(=O)NCc1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750492 780457049 /nfs/dbraw/zinc/45/70/49/780457049.db2.gz VSQCLKDDBDGKQN-LBPRGKRZSA-N 2 2 319.413 -1.176 20 0 DAADLP CC(=O)NCc1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750492 780457052 /nfs/dbraw/zinc/45/70/52/780457052.db2.gz VSQCLKDDBDGKQN-LBPRGKRZSA-N 2 2 319.413 -1.176 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246923115 780458043 /nfs/dbraw/zinc/45/80/43/780458043.db2.gz AQMKJYOZIUHNRX-NEPJUHHUSA-N 3 2 315.418 -1.994 20 0 DAADLP COC(=O)[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246923124 780458309 /nfs/dbraw/zinc/45/83/09/780458309.db2.gz AQMKJYOZIUHNRX-RYUDHWBXSA-N 3 2 315.418 -1.994 20 0 DAADLP COC(=O)[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246923125 780458580 /nfs/dbraw/zinc/45/85/80/780458580.db2.gz AQMKJYOZIUHNRX-VXGBXAGGSA-N 3 2 315.418 -1.994 20 0 DAADLP COC(=O)[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246923123 780458612 /nfs/dbraw/zinc/45/86/12/780458612.db2.gz AQMKJYOZIUHNRX-NWDGAFQWSA-N 3 2 315.418 -1.994 20 0 DAADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001261819169 780558509 /nfs/dbraw/zinc/55/85/09/780558509.db2.gz RRTFYEFGGJCRDS-GFCCVEGCSA-N 2 2 309.370 -1.116 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001265012759 780589492 /nfs/dbraw/zinc/58/94/92/780589492.db2.gz PKYAXFNIYBYAGK-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001265012759 780589503 /nfs/dbraw/zinc/58/95/03/780589503.db2.gz PKYAXFNIYBYAGK-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001282478538 780709565 /nfs/dbraw/zinc/70/95/65/780709565.db2.gz PSTHVTQEYOKKGU-JTQLQIEISA-N 2 2 322.369 -1.060 20 0 DAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001282478538 780709572 /nfs/dbraw/zinc/70/95/72/780709572.db2.gz PSTHVTQEYOKKGU-JTQLQIEISA-N 2 2 322.369 -1.060 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283812468 780779392 /nfs/dbraw/zinc/77/93/92/780779392.db2.gz IHWQAUOQKFYBGV-NXEZZACHSA-N 2 2 309.326 -2.176 20 0 DAADLP Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001090969978 781363864 /nfs/dbraw/zinc/36/38/64/781363864.db2.gz HQYFWZAKRDTWPJ-MCIGGMRASA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001090969978 781363870 /nfs/dbraw/zinc/36/38/70/781363870.db2.gz HQYFWZAKRDTWPJ-MCIGGMRASA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171238104 781388317 /nfs/dbraw/zinc/38/83/17/781388317.db2.gz LRYXAZUMNZJPMT-NSHDSACASA-N 2 2 307.354 -1.136 20 0 DAADLP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001146756938 781420595 /nfs/dbraw/zinc/42/05/95/781420595.db2.gz NLFWLQJPMUNNND-UWVGGRQHSA-N 2 2 310.358 -1.049 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123731 781435625 /nfs/dbraw/zinc/43/56/25/781435625.db2.gz NUHVLERILAGNDS-UHFFFAOYSA-N 2 2 310.358 -1.188 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001149124962 781449469 /nfs/dbraw/zinc/44/94/69/781449469.db2.gz YSYVAHFFVJEVAW-UHFFFAOYSA-N 2 2 322.369 -1.045 20 0 DAADLP CN(CC[NH2+]CCNC(=O)Cc1c[nH+]cn1C)S(C)(=O)=O ZINC001147871811 781458765 /nfs/dbraw/zinc/45/87/65/781458765.db2.gz MSMUVMFJXWMPCJ-UHFFFAOYSA-N 2 2 317.415 -1.440 20 0 DAADLP COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871837 781458827 /nfs/dbraw/zinc/45/88/27/781458827.db2.gz OFFXXPSNFFHEPJ-ZDUSSCGKSA-N 2 2 314.386 -1.308 20 0 DAADLP CC(=O)NCCOCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871871 781460507 /nfs/dbraw/zinc/46/05/07/781460507.db2.gz PTDYYDCCWOFVEL-UHFFFAOYSA-N 2 2 311.386 -1.179 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147908198 781460745 /nfs/dbraw/zinc/46/07/45/781460745.db2.gz OUVQCNOVTOKGGF-SECBINFHSA-N 2 2 310.358 -1.488 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001147877954 781461106 /nfs/dbraw/zinc/46/11/06/781461106.db2.gz QJENZUXLEAVZRR-UHFFFAOYSA-N 2 2 322.369 -1.390 20 0 DAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001099899314 781485150 /nfs/dbraw/zinc/48/51/50/781485150.db2.gz QOEKQZJLGJACPH-MNOVXSKESA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001099899314 781485157 /nfs/dbraw/zinc/48/51/57/781485157.db2.gz QOEKQZJLGJACPH-MNOVXSKESA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099899314 781485167 /nfs/dbraw/zinc/48/51/67/781485167.db2.gz QOEKQZJLGJACPH-MNOVXSKESA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099899314 781485175 /nfs/dbraw/zinc/48/51/75/781485175.db2.gz QOEKQZJLGJACPH-MNOVXSKESA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315906 781539521 /nfs/dbraw/zinc/53/95/21/781539521.db2.gz COOUGYFWDLPWEH-FZMZJTMJSA-N 2 2 322.413 -1.059 20 0 DAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315906 781539526 /nfs/dbraw/zinc/53/95/26/781539526.db2.gz COOUGYFWDLPWEH-FZMZJTMJSA-N 2 2 322.413 -1.059 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315908 781539675 /nfs/dbraw/zinc/53/96/75/781539675.db2.gz COOUGYFWDLPWEH-RISCZKNCSA-N 2 2 322.413 -1.059 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315908 781539682 /nfs/dbraw/zinc/53/96/82/781539682.db2.gz COOUGYFWDLPWEH-RISCZKNCSA-N 2 2 322.413 -1.059 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713840 781552395 /nfs/dbraw/zinc/55/23/95/781552395.db2.gz JVOITRADMBXGNL-GXTWGEPZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713840 781552399 /nfs/dbraw/zinc/55/23/99/781552399.db2.gz JVOITRADMBXGNL-GXTWGEPZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751909 781568292 /nfs/dbraw/zinc/56/82/92/781568292.db2.gz ZECFIMHZTHWAHF-OCCSQVGLSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751909 781568301 /nfs/dbraw/zinc/56/83/01/781568301.db2.gz ZECFIMHZTHWAHF-OCCSQVGLSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782747 781576919 /nfs/dbraw/zinc/57/69/19/781576919.db2.gz DSNZUYBPTDZJFY-QWHCGFSZSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782747 781576927 /nfs/dbraw/zinc/57/69/27/781576927.db2.gz DSNZUYBPTDZJFY-QWHCGFSZSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783079 781577235 /nfs/dbraw/zinc/57/72/35/781577235.db2.gz LANDOPKNNSHIMS-CHWSQXEVSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783079 781577238 /nfs/dbraw/zinc/57/72/38/781577238.db2.gz LANDOPKNNSHIMS-CHWSQXEVSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814627 781579867 /nfs/dbraw/zinc/57/98/67/781579867.db2.gz HEJJJGPFHSWYHV-NWDGAFQWSA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814627 781579871 /nfs/dbraw/zinc/57/98/71/781579871.db2.gz HEJJJGPFHSWYHV-NWDGAFQWSA-N 2 2 310.398 -1.668 20 0 DAADLP COCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814806 781580686 /nfs/dbraw/zinc/58/06/86/781580686.db2.gz JFVWLQSUTHXBAF-QWHCGFSZSA-N 2 2 324.425 -1.014 20 0 DAADLP COCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814806 781580694 /nfs/dbraw/zinc/58/06/94/781580694.db2.gz JFVWLQSUTHXBAF-QWHCGFSZSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809933 781583772 /nfs/dbraw/zinc/58/37/72/781583772.db2.gz RDUKIRFUWLCUCT-STQMWFEESA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809933 781583779 /nfs/dbraw/zinc/58/37/79/781583779.db2.gz RDUKIRFUWLCUCT-STQMWFEESA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809932 781584536 /nfs/dbraw/zinc/58/45/36/781584536.db2.gz RDUKIRFUWLCUCT-QWHCGFSZSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809932 781584540 /nfs/dbraw/zinc/58/45/40/781584540.db2.gz RDUKIRFUWLCUCT-QWHCGFSZSA-N 2 2 324.425 -1.278 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001174692893 781599857 /nfs/dbraw/zinc/59/98/57/781599857.db2.gz 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CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182204513 781702257 /nfs/dbraw/zinc/70/22/57/781702257.db2.gz QVCIMUQTCBXDFM-SNVBAGLBSA-N 2 2 322.369 -1.012 20 0 DAADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001186116691 781774323 /nfs/dbraw/zinc/77/43/23/781774323.db2.gz LEHIMDRXSWDKSN-IELRGYKMSA-N 2 2 312.374 -3.000 20 0 DAADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001186116691 781774328 /nfs/dbraw/zinc/77/43/28/781774328.db2.gz LEHIMDRXSWDKSN-IELRGYKMSA-N 2 2 312.374 -3.000 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186583408 781780694 /nfs/dbraw/zinc/78/06/94/781780694.db2.gz GLWATWBKUHLNSD-VHSXEESVSA-N 2 2 322.369 -1.013 20 0 DAADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)NC(N)=O ZINC001186584253 781780944 /nfs/dbraw/zinc/78/09/44/781780944.db2.gz OGLUXDAPYTXIGS-DTWKUNHWSA-N 2 2 308.342 -1.274 20 0 DAADLP 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ZINC001190168873 781864267 /nfs/dbraw/zinc/86/42/67/781864267.db2.gz VRHUJPOPECLTGN-NWDGAFQWSA-N 2 2 323.397 -1.190 20 0 DAADLP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190890050 781885680 /nfs/dbraw/zinc/88/56/80/781885680.db2.gz NTHJLJVJLAFMSB-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190890050 781885685 /nfs/dbraw/zinc/88/56/85/781885685.db2.gz NTHJLJVJLAFMSB-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190890050 781885696 /nfs/dbraw/zinc/88/56/96/781885696.db2.gz NTHJLJVJLAFMSB-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190890050 781885706 /nfs/dbraw/zinc/88/57/06/781885706.db2.gz NTHJLJVJLAFMSB-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892599 921742281 /nfs/dbraw/zinc/74/22/81/921742281.db2.gz UDXOMQPYKXMHKY-MNOVXSKESA-N 2 2 311.390 -1.475 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892599 921742293 /nfs/dbraw/zinc/74/22/93/921742293.db2.gz UDXOMQPYKXMHKY-MNOVXSKESA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001376952617 921752193 /nfs/dbraw/zinc/75/21/93/921752193.db2.gz FHWATJFEZBKUMV-MNOVXSKESA-N 2 2 322.369 -1.095 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001376945005 921753185 /nfs/dbraw/zinc/75/31/85/921753185.db2.gz BJQRFKSXDUABKT-VIFPVBQESA-N 2 2 308.342 -1.415 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC)C1 ZINC001377266867 921794014 /nfs/dbraw/zinc/79/40/14/921794014.db2.gz OTPRQYXGICPYPA-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC)C1 ZINC001377266867 921794018 /nfs/dbraw/zinc/79/40/18/921794018.db2.gz OTPRQYXGICPYPA-NWDGAFQWSA-N 2 2 300.403 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2 2 322.413 -1.330 20 0 DAADLP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001326046760 916889172 /nfs/dbraw/zinc/88/91/72/916889172.db2.gz ZCQDMOCEZYBDIC-NSHDSACASA-N 2 2 309.370 -1.659 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001326102038 916896143 /nfs/dbraw/zinc/89/61/43/916896143.db2.gz CHLXYTAWPFRGSW-NSHDSACASA-N 2 2 323.353 -1.832 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001326275007 916911488 /nfs/dbraw/zinc/91/14/88/916911488.db2.gz GIEZBMWJUFKAIM-GFCCVEGCSA-N 2 2 324.385 -1.006 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001327080290 916988340 /nfs/dbraw/zinc/98/83/40/916988340.db2.gz LGCUKVXPUNCDJS-ZDUSSCGKSA-N 2 2 319.369 -1.008 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001334499986 917493226 /nfs/dbraw/zinc/49/32/26/917493226.db2.gz OMSTWVFOJFPTIO-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001334499986 917493236 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CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001365994648 919266202 /nfs/dbraw/zinc/26/62/02/919266202.db2.gz CVSZAQXQWGOAJH-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001365994648 919266218 /nfs/dbraw/zinc/26/62/18/919266218.db2.gz CVSZAQXQWGOAJH-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001365994648 919266233 /nfs/dbraw/zinc/26/62/33/919266233.db2.gz CVSZAQXQWGOAJH-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001366004565 919267141 /nfs/dbraw/zinc/26/71/41/919267141.db2.gz JZDWNLDJSXGTIE-GHMZBOCLSA-N 2 2 313.402 -1.027 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001366004565 919267153 /nfs/dbraw/zinc/26/71/53/919267153.db2.gz JZDWNLDJSXGTIE-GHMZBOCLSA-N 2 2 313.402 -1.027 20 0 DAADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366000554 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CC[C@@H]([NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001368505556 919732054 /nfs/dbraw/zinc/73/20/54/919732054.db2.gz AXFLWZGZDVIDEX-NWDGAFQWSA-N 2 2 309.370 -1.036 20 0 DAADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660494 919758262 /nfs/dbraw/zinc/75/82/62/919758262.db2.gz IZVCYSRNZLDGAZ-KOLCDFICSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660494 919758273 /nfs/dbraw/zinc/75/82/73/919758273.db2.gz IZVCYSRNZLDGAZ-KOLCDFICSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368658844 919758890 /nfs/dbraw/zinc/75/88/90/919758890.db2.gz OARUEWLTFOBDKY-ZJUUUORDSA-N 2 2 308.342 -1.486 20 0 DAADLP C[N@H+](CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001368762796 919771146 /nfs/dbraw/zinc/77/11/46/919771146.db2.gz UPJABWCHFUXOLX-UHFFFAOYSA-N 2 2 312.414 -1.101 20 0 DAADLP C[N@@H+](CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1)C1CCC1 ZINC001368762796 919771158 /nfs/dbraw/zinc/77/11/58/919771158.db2.gz UPJABWCHFUXOLX-UHFFFAOYSA-N 2 2 312.414 -1.101 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001368767101 919771774 /nfs/dbraw/zinc/77/17/74/919771774.db2.gz YAHBWEIAGYKLIS-STQMWFEESA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001368767101 919771780 /nfs/dbraw/zinc/77/17/80/919771780.db2.gz YAHBWEIAGYKLIS-STQMWFEESA-N 2 2 324.425 -1.088 20 0 DAADLP CCC[N@H+](C)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001368770632 919774833 /nfs/dbraw/zinc/77/48/33/919774833.db2.gz GQKWHARTDPUGBN-UHFFFAOYSA-N 2 2 300.403 -1.243 20 0 DAADLP CCC[N@@H+](C)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001368770632 919774849 /nfs/dbraw/zinc/77/48/49/919774849.db2.gz GQKWHARTDPUGBN-UHFFFAOYSA-N 2 2 300.403 -1.243 20 0 DAADLP CC[N@H+](C)CCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001368770527 919775529 /nfs/dbraw/zinc/77/55/29/919775529.db2.gz DOWPPQGRMUCXTA-UHFFFAOYSA-N 2 2 300.403 -1.243 20 0 DAADLP CC[N@@H+](C)CCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001368770527 919775539 /nfs/dbraw/zinc/77/55/39/919775539.db2.gz DOWPPQGRMUCXTA-UHFFFAOYSA-N 2 2 300.403 -1.243 20 0 DAADLP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001369145002 919821492 /nfs/dbraw/zinc/82/14/92/919821492.db2.gz FXSQQENJHBUZIV-KOLCDFICSA-N 2 2 313.402 -1.042 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001369186972 919827511 /nfs/dbraw/zinc/82/75/11/919827511.db2.gz UOIJVDRSDBYCTN-MGCOHNPYSA-N 2 2 308.342 -1.438 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369323071 919856174 /nfs/dbraw/zinc/85/61/74/919856174.db2.gz TWTJMEPJVZQNHQ-VHSXEESVSA-N 2 2 315.374 -2.397 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369323071 919856178 /nfs/dbraw/zinc/85/61/78/919856178.db2.gz TWTJMEPJVZQNHQ-VHSXEESVSA-N 2 2 315.374 -2.397 20 0 DAADLP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001369328702 919863946 /nfs/dbraw/zinc/86/39/46/919863946.db2.gz DXOUABSZNWOEER-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001369328701 919865345 /nfs/dbraw/zinc/86/53/45/919865345.db2.gz DXOUABSZNWOEER-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001369339350 919875664 /nfs/dbraw/zinc/87/56/64/919875664.db2.gz QEVPOOVVABQPNZ-GFCCVEGCSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001369339356 919875815 /nfs/dbraw/zinc/87/58/15/919875815.db2.gz QEVPOOVVABQPNZ-LBPRGKRZSA-N 2 2 310.402 -1.276 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369347908 919888108 /nfs/dbraw/zinc/88/81/08/919888108.db2.gz XNYRWHNFIZUOGY-LBPRGKRZSA-N 2 2 307.358 -1.413 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369357282 919894071 /nfs/dbraw/zinc/89/40/71/919894071.db2.gz AHVJCMYFFLULBX-YPMHNXCESA-N 2 2 323.397 -1.065 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001369355781 919896287 /nfs/dbraw/zinc/89/62/87/919896287.db2.gz SFPICMCMPHOZNM-RKDXNWHRSA-N 2 2 301.347 -2.658 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001369355781 919896299 /nfs/dbraw/zinc/89/62/99/919896299.db2.gz SFPICMCMPHOZNM-RKDXNWHRSA-N 2 2 301.347 -2.658 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1 ZINC001369378843 919913469 /nfs/dbraw/zinc/91/34/69/919913469.db2.gz PEQNZGPLKMERHN-QWRGUYRKSA-N 2 2 302.375 -2.480 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1 ZINC001369378843 919913480 /nfs/dbraw/zinc/91/34/80/919913480.db2.gz PEQNZGPLKMERHN-QWRGUYRKSA-N 2 2 302.375 -2.480 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1 ZINC001369378844 919915568 /nfs/dbraw/zinc/91/55/68/919915568.db2.gz PEQNZGPLKMERHN-WDEREUQCSA-N 2 2 302.375 -2.480 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)C1 ZINC001369378844 919915579 /nfs/dbraw/zinc/91/55/79/919915579.db2.gz PEQNZGPLKMERHN-WDEREUQCSA-N 2 2 302.375 -2.480 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)C1 ZINC001369378841 919915686 /nfs/dbraw/zinc/91/56/86/919915686.db2.gz PEQNZGPLKMERHN-GHMZBOCLSA-N 2 2 302.375 -2.480 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)C1 ZINC001369378841 919915697 /nfs/dbraw/zinc/91/56/97/919915697.db2.gz PEQNZGPLKMERHN-GHMZBOCLSA-N 2 2 302.375 -2.480 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369382926 919917041 /nfs/dbraw/zinc/91/70/41/919917041.db2.gz PRVSRUSCOYZEKK-VXGBXAGGSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369382926 919917050 /nfs/dbraw/zinc/91/70/50/919917050.db2.gz PRVSRUSCOYZEKK-VXGBXAGGSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369382917 919918210 /nfs/dbraw/zinc/91/82/10/919918210.db2.gz PRVSRUSCOYZEKK-NWDGAFQWSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369382917 919918220 /nfs/dbraw/zinc/91/82/20/919918220.db2.gz PRVSRUSCOYZEKK-NWDGAFQWSA-N 2 2 310.402 -1.276 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001369391886 919918874 /nfs/dbraw/zinc/91/88/74/919918874.db2.gz NSPQCZTXIQEBIB-GXSJLCMTSA-N 2 2 322.369 -1.013 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]cn1C ZINC001369477054 919952340 /nfs/dbraw/zinc/95/23/40/919952340.db2.gz CLPCACUEFPMUCA-CHWSQXEVSA-N 2 2 323.397 -1.398 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001369491178 919965206 /nfs/dbraw/zinc/96/52/06/919965206.db2.gz OQUURIOXKQWWAE-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001369490990 919967444 /nfs/dbraw/zinc/96/74/44/919967444.db2.gz YMGUKBWURJOLCN-MNOVXSKESA-N 2 2 311.386 -1.067 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001369522654 919980440 /nfs/dbraw/zinc/98/04/40/919980440.db2.gz LSYKYDXDQHCFDH-ZDUSSCGKSA-N 2 2 321.385 -1.074 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001369522654 919980453 /nfs/dbraw/zinc/98/04/53/919980453.db2.gz LSYKYDXDQHCFDH-ZDUSSCGKSA-N 2 2 321.385 -1.074 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001369921532 920015354 /nfs/dbraw/zinc/01/53/54/920015354.db2.gz YEBAQIZVUSTFNY-QWHCGFSZSA-N 2 2 311.430 -1.312 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001369921532 920015368 /nfs/dbraw/zinc/01/53/68/920015368.db2.gz YEBAQIZVUSTFNY-QWHCGFSZSA-N 2 2 311.430 -1.312 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370035273 920031130 /nfs/dbraw/zinc/03/11/30/920031130.db2.gz UTRYZDFJBCUMDA-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370035273 920031146 /nfs/dbraw/zinc/03/11/46/920031146.db2.gz UTRYZDFJBCUMDA-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001370392991 920054742 /nfs/dbraw/zinc/05/47/42/920054742.db2.gz VLDATASNGRNAGN-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370550351 920069257 /nfs/dbraw/zinc/06/92/57/920069257.db2.gz VFTSDKXDLBBREQ-MGCOHNPYSA-N 2 2 322.369 -1.216 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370656835 920092716 /nfs/dbraw/zinc/09/27/16/920092716.db2.gz KHLLIBZPPHNOBJ-AOOOYVTPSA-N 2 2 322.369 -1.216 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724919 920141433 /nfs/dbraw/zinc/14/14/33/920141433.db2.gz NAPHPUDKTUPKAH-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724919 920141448 /nfs/dbraw/zinc/14/14/48/920141448.db2.gz NAPHPUDKTUPKAH-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724915 920142172 /nfs/dbraw/zinc/14/21/72/920142172.db2.gz NAPHPUDKTUPKAH-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724915 920142179 /nfs/dbraw/zinc/14/21/79/920142179.db2.gz NAPHPUDKTUPKAH-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749972 920157415 /nfs/dbraw/zinc/15/74/15/920157415.db2.gz HDQQOPICTFKPLF-GFCCVEGCSA-N 2 2 321.381 -1.359 20 0 DAADLP C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001370783090 920174771 /nfs/dbraw/zinc/17/47/71/920174771.db2.gz YBORJFZMAFKREB-GFCCVEGCSA-N 2 2 323.397 -1.182 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001371015701 920216458 /nfs/dbraw/zinc/21/64/58/920216458.db2.gz AXNHHUSNZYENAI-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001371015701 920216472 /nfs/dbraw/zinc/21/64/72/920216472.db2.gz AXNHHUSNZYENAI-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371423542 920250554 /nfs/dbraw/zinc/25/05/54/920250554.db2.gz JWLOANSGHFFEAC-JTQLQIEISA-N 2 2 308.386 -1.202 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001371540083 920284747 /nfs/dbraw/zinc/28/47/47/920284747.db2.gz DPTSLDSFDQQQFE-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001371540083 920284764 /nfs/dbraw/zinc/28/47/64/920284764.db2.gz DPTSLDSFDQQQFE-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001371619952 920293120 /nfs/dbraw/zinc/29/31/20/920293120.db2.gz OTJQVBKEYFPQJN-SNVBAGLBSA-N 2 2 322.369 -1.106 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001371844423 920303238 /nfs/dbraw/zinc/30/32/38/920303238.db2.gz KSHBMHGAVSIYMF-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001372108876 920337553 /nfs/dbraw/zinc/33/75/53/920337553.db2.gz AQVMRGVSKBTCNY-LLVKDONJSA-N 2 2 301.391 -1.185 20 0 DAADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001372108876 920337559 /nfs/dbraw/zinc/33/75/59/920337559.db2.gz AQVMRGVSKBTCNY-LLVKDONJSA-N 2 2 301.391 -1.185 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001373480906 920508227 /nfs/dbraw/zinc/50/82/27/920508227.db2.gz JZUWTIMNUPRUGI-OCCSQVGLSA-N 2 2 315.414 -1.238 20 0 DAADLP C[NH+](C)CCC(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001373528964 920516314 /nfs/dbraw/zinc/51/63/14/920516314.db2.gz FEFCUAWQMXAQKW-UHFFFAOYSA-N 2 2 306.432 -1.465 20 0 DAADLP C[NH+](C)CCC(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001373528937 920516722 /nfs/dbraw/zinc/51/67/22/920516722.db2.gz DHZNCGVNJDFINY-UHFFFAOYSA-N 2 2 312.414 -1.155 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373628470 920540627 /nfs/dbraw/zinc/54/06/27/920540627.db2.gz RCPYJEDAXALXRR-VXGBXAGGSA-N 2 2 323.397 -1.286 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373628470 920540636 /nfs/dbraw/zinc/54/06/36/920540636.db2.gz RCPYJEDAXALXRR-VXGBXAGGSA-N 2 2 323.397 -1.286 20 0 DAADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]CC(=O)NC(N)=O ZINC001374098771 920581968 /nfs/dbraw/zinc/58/19/68/920581968.db2.gz IROVRZTVIKNJHR-JTQLQIEISA-N 2 2 324.385 -1.111 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146825 920588625 /nfs/dbraw/zinc/58/86/25/920588625.db2.gz SFIRYXFDVUKUHO-QWHCGFSZSA-N 2 2 303.403 -1.238 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146825 920588637 /nfs/dbraw/zinc/58/86/37/920588637.db2.gz SFIRYXFDVUKUHO-QWHCGFSZSA-N 2 2 303.403 -1.238 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146823 920589612 /nfs/dbraw/zinc/58/96/12/920589612.db2.gz SFIRYXFDVUKUHO-CHWSQXEVSA-N 2 2 303.403 -1.238 20 0 DAADLP COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001374146823 920589620 /nfs/dbraw/zinc/58/96/20/920589620.db2.gz SFIRYXFDVUKUHO-CHWSQXEVSA-N 2 2 303.403 -1.238 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001374635031 920663675 /nfs/dbraw/zinc/66/36/75/920663675.db2.gz QIQYKVFCGMACFA-GFCCVEGCSA-N 2 2 321.385 -1.252 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374674280 920687238 /nfs/dbraw/zinc/68/72/38/920687238.db2.gz DJLZXXDJJATSQR-QWHCGFSZSA-N 2 2 323.397 -1.302 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001374683405 920689470 /nfs/dbraw/zinc/68/94/70/920689470.db2.gz ZORBXWGHZYXIAV-GFCCVEGCSA-N 2 2 311.386 -1.492 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374825207 920718074 /nfs/dbraw/zinc/71/80/74/920718074.db2.gz FXTMORSWQRHULU-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001374840854 920718484 /nfs/dbraw/zinc/71/84/84/920718484.db2.gz NIMBCOXYEIMHJX-SECBINFHSA-N 2 2 310.358 -1.358 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375112319 920745951 /nfs/dbraw/zinc/74/59/51/920745951.db2.gz NHFRBUHPLHFSGS-SECBINFHSA-N 2 2 310.358 -1.177 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375112319 920745962 /nfs/dbraw/zinc/74/59/62/920745962.db2.gz NHFRBUHPLHFSGS-SECBINFHSA-N 2 2 310.358 -1.177 20 0 DAADLP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001375450577 920778050 /nfs/dbraw/zinc/77/80/50/920778050.db2.gz DIRBAVQNJJRRHI-SNVBAGLBSA-N 2 2 308.386 -1.059 20 0 DAADLP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)nc1=O ZINC001375450577 920778055 /nfs/dbraw/zinc/77/80/55/920778055.db2.gz DIRBAVQNJJRRHI-SNVBAGLBSA-N 2 2 308.386 -1.059 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001375670579 920796871 /nfs/dbraw/zinc/79/68/71/920796871.db2.gz NWTHKRBVIORESW-MNOVXSKESA-N 2 2 311.386 -1.144 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001375670579 920796882 /nfs/dbraw/zinc/79/68/82/920796882.db2.gz NWTHKRBVIORESW-MNOVXSKESA-N 2 2 311.386 -1.144 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376075474 920844074 /nfs/dbraw/zinc/84/40/74/920844074.db2.gz COOJQXHFIUILCD-TZMCWYRMSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376075474 920844086 /nfs/dbraw/zinc/84/40/86/920844086.db2.gz COOJQXHFIUILCD-TZMCWYRMSA-N 2 2 312.370 -1.488 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001376095697 920854043 /nfs/dbraw/zinc/85/40/43/920854043.db2.gz HLSVMACFTLEROC-CYBMUJFWSA-N 2 2 313.446 -1.064 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001376124791 920866167 /nfs/dbraw/zinc/86/61/67/920866167.db2.gz LINXOQFCWLRHNY-OUAUKWLOSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001376124791 920866174 /nfs/dbraw/zinc/86/61/74/920866174.db2.gz LINXOQFCWLRHNY-OUAUKWLOSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001376124791 920866188 /nfs/dbraw/zinc/86/61/88/920866188.db2.gz LINXOQFCWLRHNY-OUAUKWLOSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001376124791 920866199 /nfs/dbraw/zinc/86/61/99/920866199.db2.gz LINXOQFCWLRHNY-OUAUKWLOSA-N 2 2 311.386 -1.288 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376227788 920894669 /nfs/dbraw/zinc/89/46/69/920894669.db2.gz AVNCACYIOLHPBM-STQMWFEESA-N 2 2 315.414 -1.359 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376227788 920894690 /nfs/dbraw/zinc/89/46/90/920894690.db2.gz AVNCACYIOLHPBM-STQMWFEESA-N 2 2 315.414 -1.359 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001376257108 920906280 /nfs/dbraw/zinc/90/62/80/920906280.db2.gz XESCNORKPUSJSA-SNVBAGLBSA-N 2 2 322.369 -1.108 20 0 DAADLP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1)[NH+](C)C ZINC001376268462 920909235 /nfs/dbraw/zinc/90/92/35/920909235.db2.gz BAONLZFEKGHODC-RYUDHWBXSA-N 2 2 303.403 -1.503 20 0 DAADLP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001376268468 920909485 /nfs/dbraw/zinc/90/94/85/920909485.db2.gz BAONLZFEKGHODC-VXGBXAGGSA-N 2 2 303.403 -1.503 20 0 DAADLP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376277146 920912708 /nfs/dbraw/zinc/91/27/08/920912708.db2.gz RCLARUYFNQADTE-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376277146 920912720 /nfs/dbraw/zinc/91/27/20/920912720.db2.gz RCLARUYFNQADTE-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376277146 920912739 /nfs/dbraw/zinc/91/27/39/920912739.db2.gz RCLARUYFNQADTE-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376277146 920912753 /nfs/dbraw/zinc/91/27/53/920912753.db2.gz RCLARUYFNQADTE-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001376293555 920915359 /nfs/dbraw/zinc/91/53/59/920915359.db2.gz DPJOKMCZVGQDPP-QWHCGFSZSA-N 2 2 315.414 -1.502 20 0 DAADLP CC[C@@H](C(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001376478028 920948069 /nfs/dbraw/zinc/94/80/69/920948069.db2.gz FWMLYIUDUFTSPH-SMDDNHRTSA-N 2 2 300.403 -1.245 20 0 DAADLP CC[C@@H](C(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001376478028 920948078 /nfs/dbraw/zinc/94/80/78/920948078.db2.gz FWMLYIUDUFTSPH-SMDDNHRTSA-N 2 2 300.403 -1.245 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376487505 920951397 /nfs/dbraw/zinc/95/13/97/920951397.db2.gz IPECTNJUWHWAPX-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376487505 920951414 /nfs/dbraw/zinc/95/14/14/920951414.db2.gz IPECTNJUWHWAPX-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(=O)NC(N)=O ZINC001376756941 921026336 /nfs/dbraw/zinc/02/63/36/921026336.db2.gz LAWIVDCRQPIHAX-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001376780786 921029687 /nfs/dbraw/zinc/02/96/87/921029687.db2.gz XCZOGLKNMLTZLE-VHSXEESVSA-N 2 2 310.358 -1.049 20 0 DAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001376838567 921036705 /nfs/dbraw/zinc/03/67/05/921036705.db2.gz HGUJXTZRPQWPET-YPMHNXCESA-N 2 2 321.381 -1.252 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001376858451 921045490 /nfs/dbraw/zinc/04/54/90/921045490.db2.gz XETZMGVGBJCANP-WDEREUQCSA-N 2 2 300.359 -2.381 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001376858451 921045498 /nfs/dbraw/zinc/04/54/98/921045498.db2.gz XETZMGVGBJCANP-WDEREUQCSA-N 2 2 300.359 -2.381 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001377747659 921858237 /nfs/dbraw/zinc/85/82/37/921858237.db2.gz UOIJVDRSDBYCTN-UHFFFAOYSA-N 2 2 308.342 -1.438 20 0 DAADLP CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001378009155 921897085 /nfs/dbraw/zinc/89/70/85/921897085.db2.gz IBXANVAOGPYZEW-GXSJLCMTSA-N 2 2 313.402 -1.042 20 0 DAADLP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001378009160 921897119 /nfs/dbraw/zinc/89/71/19/921897119.db2.gz IBXANVAOGPYZEW-MWLCHTKSSA-N 2 2 313.402 -1.042 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001378024307 921902107 /nfs/dbraw/zinc/90/21/07/921902107.db2.gz PTJBNBTWSCSMFT-IGQOVBAYSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001378024307 921902115 /nfs/dbraw/zinc/90/21/15/921902115.db2.gz PTJBNBTWSCSMFT-IGQOVBAYSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378024307 921902130 /nfs/dbraw/zinc/90/21/30/921902130.db2.gz PTJBNBTWSCSMFT-IGQOVBAYSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378024307 921902135 /nfs/dbraw/zinc/90/21/35/921902135.db2.gz PTJBNBTWSCSMFT-IGQOVBAYSA-N 2 2 313.398 -1.391 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378180927 921925541 /nfs/dbraw/zinc/92/55/41/921925541.db2.gz FAQHBWRXZOXDSA-VHSXEESVSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378180927 921925545 /nfs/dbraw/zinc/92/55/45/921925545.db2.gz FAQHBWRXZOXDSA-VHSXEESVSA-N 2 2 324.385 -1.018 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001378182809 921926829 /nfs/dbraw/zinc/92/68/29/921926829.db2.gz NEFRBCCBAQKTCQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001378182809 921926845 /nfs/dbraw/zinc/92/68/45/921926845.db2.gz NEFRBCCBAQKTCQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228618 921935105 /nfs/dbraw/zinc/93/51/05/921935105.db2.gz FZIWUQMVRZRVBS-MNOVXSKESA-N 2 2 311.390 -1.475 20 0 DAADLP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228618 921935116 /nfs/dbraw/zinc/93/51/16/921935116.db2.gz FZIWUQMVRZRVBS-MNOVXSKESA-N 2 2 311.390 -1.475 20 0 DAADLP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228622 921935492 /nfs/dbraw/zinc/93/54/92/921935492.db2.gz FZIWUQMVRZRVBS-WDEREUQCSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228622 921935504 /nfs/dbraw/zinc/93/55/04/921935504.db2.gz FZIWUQMVRZRVBS-WDEREUQCSA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]CC(=O)NC(N)=O ZINC001378584019 921982832 /nfs/dbraw/zinc/98/28/32/921982832.db2.gz BXQLGTFVSCORQC-SNVBAGLBSA-N 2 2 310.358 -1.190 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001378840723 922013761 /nfs/dbraw/zinc/01/37/61/922013761.db2.gz IGUHFHWIDUQJRE-JTQLQIEISA-N 2 2 324.385 -1.145 20 0 DAADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378862774 922015069 /nfs/dbraw/zinc/01/50/69/922015069.db2.gz GUZICDAONXTESN-VXGBXAGGSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378862774 922015080 /nfs/dbraw/zinc/01/50/80/922015080.db2.gz GUZICDAONXTESN-VXGBXAGGSA-N 2 2 300.403 -1.077 20 0 DAADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001378890599 922017025 /nfs/dbraw/zinc/01/70/25/922017025.db2.gz JFOCSEWQCGOQDU-DCAQKATOSA-N 2 2 322.369 -1.049 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173897 922047259 /nfs/dbraw/zinc/04/72/59/922047259.db2.gz ARTKEBILWHKZGU-KOLCDFICSA-N 2 2 315.399 -1.565 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173897 922047268 /nfs/dbraw/zinc/04/72/68/922047268.db2.gz ARTKEBILWHKZGU-KOLCDFICSA-N 2 2 315.399 -1.565 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379182573 922051651 /nfs/dbraw/zinc/05/16/51/922051651.db2.gz OUSGGPDJUBONFX-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379182573 922051669 /nfs/dbraw/zinc/05/16/69/922051669.db2.gz OUSGGPDJUBONFX-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173952 922054081 /nfs/dbraw/zinc/05/40/81/922054081.db2.gz ARTKEBILWHKZGU-ONGXEEELSA-N 2 2 315.399 -1.565 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)C1 ZINC001379173952 922054100 /nfs/dbraw/zinc/05/41/00/922054100.db2.gz ARTKEBILWHKZGU-ONGXEEELSA-N 2 2 315.399 -1.565 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379240013 922093429 /nfs/dbraw/zinc/09/34/29/922093429.db2.gz XMKHXZSYQXZKNJ-VXGBXAGGSA-N 2 2 323.397 -1.302 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001379250722 922097146 /nfs/dbraw/zinc/09/71/46/922097146.db2.gz XCLXUALMBWJZMT-AAEUAGOBSA-N 2 2 323.397 -1.065 20 0 DAADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001379247093 922098347 /nfs/dbraw/zinc/09/83/47/922098347.db2.gz KQKUPLSTJNEVPU-RYUDHWBXSA-N 2 2 311.386 -1.011 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255986 922100545 /nfs/dbraw/zinc/10/05/45/922100545.db2.gz SVLQTUDMCWVMMB-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255986 922100552 /nfs/dbraw/zinc/10/05/52/922100552.db2.gz SVLQTUDMCWVMMB-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP COc1nccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001379298797 922119042 /nfs/dbraw/zinc/11/90/42/922119042.db2.gz YWEMATSOSPRKTG-LBPRGKRZSA-N 2 2 320.353 -1.051 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371131 922140953 /nfs/dbraw/zinc/14/09/53/922140953.db2.gz LWQPUYVIEFFKTC-ZYHUDNBSSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371131 922140959 /nfs/dbraw/zinc/14/09/59/922140959.db2.gz LWQPUYVIEFFKTC-ZYHUDNBSSA-N 2 2 323.401 -1.331 20 0 DAADLP Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001379378223 922144426 /nfs/dbraw/zinc/14/44/26/922144426.db2.gz YZGKDFFUULZGRR-UONOGXRCSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001379378223 922144435 /nfs/dbraw/zinc/14/44/35/922144435.db2.gz YZGKDFFUULZGRR-UONOGXRCSA-N 2 2 323.397 -1.318 20 0 DAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001379411436 922162173 /nfs/dbraw/zinc/16/21/73/922162173.db2.gz NRZWPZHUAFRJJN-LBPRGKRZSA-N 2 2 310.402 -1.134 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001379507735 922208964 /nfs/dbraw/zinc/20/89/64/922208964.db2.gz DERUPTBQMCFPQO-LLVKDONJSA-N 2 2 324.385 -1.647 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCN(C)C1=O ZINC001379517651 922214037 /nfs/dbraw/zinc/21/40/37/922214037.db2.gz XGIXIFULKZDJPN-NWDGAFQWSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001379532129 922221566 /nfs/dbraw/zinc/22/15/66/922221566.db2.gz YCJSBIMKCFSBRE-LBPRGKRZSA-N 2 2 323.397 -1.121 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379849891 922279434 /nfs/dbraw/zinc/27/94/34/922279434.db2.gz GWJRJVHHLGXHAD-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001379864362 922281888 /nfs/dbraw/zinc/28/18/88/922281888.db2.gz GEPOLOQMDQLOAC-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001379861511 922283312 /nfs/dbraw/zinc/28/33/12/922283312.db2.gz ZWNPIQYGEILZGZ-LLVKDONJSA-N 2 2 311.386 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ZINC001379985611 922316399 /nfs/dbraw/zinc/31/63/99/922316399.db2.gz XEVQSEJPGLWZBQ-STQMWFEESA-N 2 2 323.397 -1.398 20 0 DAADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001380175900 922336622 /nfs/dbraw/zinc/33/66/22/922336622.db2.gz HCFABXGYXJYGTB-UHFFFAOYSA-N 2 2 322.369 -1.264 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001380157430 922337723 /nfs/dbraw/zinc/33/77/23/922337723.db2.gz KQODEQRMCIFJLK-UHFFFAOYSA-N 2 2 308.342 -1.604 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001380285264 922350397 /nfs/dbraw/zinc/35/03/97/922350397.db2.gz QLSCYCNSFZFIGF-NSHDSACASA-N 2 2 322.369 -1.012 20 0 DAADLP C[C@@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001380442595 922358506 /nfs/dbraw/zinc/35/85/06/922358506.db2.gz OIJPZVOOHIUNDQ-AWEZNQCLSA-N 2 2 322.369 -1.094 20 0 DAADLP C[C@@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001380417729 922358558 /nfs/dbraw/zinc/35/85/58/922358558.db2.gz BWFXSZOMWCHELC-AWEZNQCLSA-N 2 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ZINC001380738336 922448315 /nfs/dbraw/zinc/44/83/15/922448315.db2.gz WJCIXVMYESUASF-XJKSGUPXSA-N 2 2 324.425 -1.243 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001380738336 922448323 /nfs/dbraw/zinc/44/83/23/922448323.db2.gz WJCIXVMYESUASF-XJKSGUPXSA-N 2 2 324.425 -1.243 20 0 DAADLP NC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380738332 922448496 /nfs/dbraw/zinc/44/84/96/922448496.db2.gz WJCIXVMYESUASF-CJNGLKHVSA-N 2 2 324.425 -1.243 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380738332 922448504 /nfs/dbraw/zinc/44/85/04/922448504.db2.gz WJCIXVMYESUASF-CJNGLKHVSA-N 2 2 324.425 -1.243 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O ZINC001380773856 922457544 /nfs/dbraw/zinc/45/75/44/922457544.db2.gz MRAXZLUVPXZCPF-LBPRGKRZSA-N 2 2 323.397 -1.098 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001381053421 922493677 /nfs/dbraw/zinc/49/36/77/922493677.db2.gz HFJFIHNRSVHJBS-CQSZACIVSA-N 2 2 309.370 -1.311 20 0 DAADLP CNC(=O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001381070335 922498299 /nfs/dbraw/zinc/49/82/99/922498299.db2.gz WLDDHSHZAZFAAG-UHFFFAOYSA-N 2 2 309.370 -1.047 20 0 DAADLP CNC(=O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001381066507 922498674 /nfs/dbraw/zinc/49/86/74/922498674.db2.gz IVVZLRYTLUKIEL-UHFFFAOYSA-N 2 2 309.370 -1.116 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001381247549 922513616 /nfs/dbraw/zinc/51/36/16/922513616.db2.gz UICQUZFCNSKIMX-NEPJUHHUSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001381247549 922513624 /nfs/dbraw/zinc/51/36/24/922513624.db2.gz UICQUZFCNSKIMX-NEPJUHHUSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001381942380 922570026 /nfs/dbraw/zinc/57/00/26/922570026.db2.gz ITKOIOKLDOQXBV-ZYHUDNBSSA-N 2 2 309.370 -1.347 20 0 DAADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001381942364 922570856 /nfs/dbraw/zinc/57/08/56/922570856.db2.gz ITKOIOKLDOQXBV-CMPLNLGQSA-N 2 2 309.370 -1.347 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001382207404 922618509 /nfs/dbraw/zinc/61/85/09/922618509.db2.gz FLYMRSLPPNTABK-OLZOCXBDSA-N 2 2 312.418 -1.032 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001382218071 922625525 /nfs/dbraw/zinc/62/55/25/922625525.db2.gz XUJILXCMIHFFBU-QWRGUYRKSA-N 2 2 309.370 -1.742 20 0 DAADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001382263600 922652461 /nfs/dbraw/zinc/65/24/61/922652461.db2.gz OBAQPUIXJSGPFR-VXGBXAGGSA-N 2 2 311.386 -1.011 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001382267814 922653229 /nfs/dbraw/zinc/65/32/29/922653229.db2.gz QADVIOYXHSYAHD-LBPRGKRZSA-N 2 2 306.370 -1.074 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001382274915 922658181 /nfs/dbraw/zinc/65/81/81/922658181.db2.gz QHULOYBRSKEAHO-YPMHNXCESA-N 2 2 310.402 -1.184 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001382274915 922658191 /nfs/dbraw/zinc/65/81/91/922658191.db2.gz QHULOYBRSKEAHO-YPMHNXCESA-N 2 2 310.402 -1.184 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001382274925 922658734 /nfs/dbraw/zinc/65/87/34/922658734.db2.gz QMHBNSPBOLQTLJ-LBPRGKRZSA-N 2 2 309.370 -1.463 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382276443 922662393 /nfs/dbraw/zinc/66/23/93/922662393.db2.gz XJSVCDKDYDSVSU-GFCCVEGCSA-N 2 2 309.370 -1.509 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370789 922701127 /nfs/dbraw/zinc/70/11/27/922701127.db2.gz SRPPBUGLRILOBR-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370789 922701138 /nfs/dbraw/zinc/70/11/38/922701138.db2.gz SRPPBUGLRILOBR-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370787 922701246 /nfs/dbraw/zinc/70/12/46/922701246.db2.gz SRPPBUGLRILOBR-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370787 922701256 /nfs/dbraw/zinc/70/12/56/922701256.db2.gz SRPPBUGLRILOBR-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370788 922701740 /nfs/dbraw/zinc/70/17/40/922701740.db2.gz SRPPBUGLRILOBR-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001382370788 922701753 /nfs/dbraw/zinc/70/17/53/922701753.db2.gz SRPPBUGLRILOBR-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001382416087 922736052 /nfs/dbraw/zinc/73/60/52/922736052.db2.gz XHBGEOXXXNRXRU-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382443391 922754915 /nfs/dbraw/zinc/75/49/15/922754915.db2.gz ZEIMQTFIAFMABA-CMPLNLGQSA-N 2 2 311.386 -1.365 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001382440610 922755539 /nfs/dbraw/zinc/75/55/39/922755539.db2.gz IHCVOPQYWLZKCH-LLVKDONJSA-N 2 2 322.373 -1.676 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464717 922769970 /nfs/dbraw/zinc/76/99/70/922769970.db2.gz CDSUTXIBMASBOI-RYUDHWBXSA-N 2 2 311.386 -1.033 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464717 922769982 /nfs/dbraw/zinc/76/99/82/922769982.db2.gz CDSUTXIBMASBOI-RYUDHWBXSA-N 2 2 311.386 -1.033 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464713 922770319 /nfs/dbraw/zinc/77/03/19/922770319.db2.gz CDSUTXIBMASBOI-NEPJUHHUSA-N 2 2 311.386 -1.033 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464713 922770331 /nfs/dbraw/zinc/77/03/31/922770331.db2.gz CDSUTXIBMASBOI-NEPJUHHUSA-N 2 2 311.386 -1.033 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001382627071 922823068 /nfs/dbraw/zinc/82/30/68/922823068.db2.gz BVNIPTJPEZVENX-NEPJUHHUSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001382627087 922823077 /nfs/dbraw/zinc/82/30/77/922823077.db2.gz BVNIPTJPEZVENX-RYUDHWBXSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001383951230 922989943 /nfs/dbraw/zinc/98/99/43/922989943.db2.gz INRICCYMPGZFKC-ZDUSSCGKSA-N 2 2 323.397 -1.182 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001384228773 923065439 /nfs/dbraw/zinc/06/54/39/923065439.db2.gz ZGKNWBDRPLGCES-STQMWFEESA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384228773 923065452 /nfs/dbraw/zinc/06/54/52/923065452.db2.gz ZGKNWBDRPLGCES-STQMWFEESA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001384224399 923066022 /nfs/dbraw/zinc/06/60/22/923066022.db2.gz KLWAIGFZWSKWDY-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384224399 923066047 /nfs/dbraw/zinc/06/60/47/923066047.db2.gz KLWAIGFZWSKWDY-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)C[NH+]1CCCC1 ZINC001384225469 923067175 /nfs/dbraw/zinc/06/71/75/923067175.db2.gz OIBGTPXGNTXQOR-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001389125998 923566857 /nfs/dbraw/zinc/56/68/57/923566857.db2.gz WTYNWXBOYYZROW-LLVKDONJSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001389412830 923618461 /nfs/dbraw/zinc/61/84/61/923618461.db2.gz WIKZZOODXREXCN-AWEZNQCLSA-N 2 2 314.430 -1.567 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001389412830 923618473 /nfs/dbraw/zinc/61/84/73/923618473.db2.gz WIKZZOODXREXCN-AWEZNQCLSA-N 2 2 314.430 -1.567 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCCN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001389432834 923621219 /nfs/dbraw/zinc/62/12/19/923621219.db2.gz CYZZRAVWWCTEQN-ZIAGYGMSSA-N 2 2 323.441 -1.440 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCCN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001389432834 923621224 /nfs/dbraw/zinc/62/12/24/923621224.db2.gz CYZZRAVWWCTEQN-ZIAGYGMSSA-N 2 2 323.441 -1.440 20 0 DAADLP Cn1nnnc1CN1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001389429886 923621358 /nfs/dbraw/zinc/62/13/58/923621358.db2.gz QQCQAJSZTNACSK-UHFFFAOYSA-N 2 2 324.433 -1.604 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCCN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001389432832 923621887 /nfs/dbraw/zinc/62/18/87/923621887.db2.gz CYZZRAVWWCTEQN-KGLIPLIRSA-N 2 2 323.441 -1.440 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCCN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001389432832 923621907 /nfs/dbraw/zinc/62/19/07/923621907.db2.gz CYZZRAVWWCTEQN-KGLIPLIRSA-N 2 2 323.441 -1.440 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001389783801 923681959 /nfs/dbraw/zinc/68/19/59/923681959.db2.gz SZXRXXMRKSLXHU-RYUDHWBXSA-N 2 2 319.427 -1.448 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001389783801 923681968 /nfs/dbraw/zinc/68/19/68/923681968.db2.gz SZXRXXMRKSLXHU-RYUDHWBXSA-N 2 2 319.427 -1.448 20 0 DAADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCNS(C)(=O)=O ZINC001390798340 923781613 /nfs/dbraw/zinc/78/16/13/923781613.db2.gz RACVTUJVBBXLMZ-LLVKDONJSA-N 2 2 306.432 -1.322 20 0 DAADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCNS(C)(=O)=O ZINC001390798340 923781623 /nfs/dbraw/zinc/78/16/23/923781623.db2.gz RACVTUJVBBXLMZ-LLVKDONJSA-N 2 2 306.432 -1.322 20 0 DAADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCNS(C)(=O)=O ZINC001390798340 923781636 /nfs/dbraw/zinc/78/16/36/923781636.db2.gz RACVTUJVBBXLMZ-LLVKDONJSA-N 2 2 306.432 -1.322 20 0 DAADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCNS(C)(=O)=O ZINC001390798340 923781646 /nfs/dbraw/zinc/78/16/46/923781646.db2.gz RACVTUJVBBXLMZ-LLVKDONJSA-N 2 2 306.432 -1.322 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913072 923795084 /nfs/dbraw/zinc/79/50/84/923795084.db2.gz ZTTKRYXZJUIUFF-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913072 923795094 /nfs/dbraw/zinc/79/50/94/923795094.db2.gz ZTTKRYXZJUIUFF-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913072 923795103 /nfs/dbraw/zinc/79/51/03/923795103.db2.gz ZTTKRYXZJUIUFF-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913072 923795113 /nfs/dbraw/zinc/79/51/13/923795113.db2.gz ZTTKRYXZJUIUFF-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391386530 923832020 /nfs/dbraw/zinc/83/20/20/923832020.db2.gz ADHWCYBDEWAUQH-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391386530 923832030 /nfs/dbraw/zinc/83/20/30/923832030.db2.gz ADHWCYBDEWAUQH-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391386530 923832042 /nfs/dbraw/zinc/83/20/42/923832042.db2.gz ADHWCYBDEWAUQH-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391386530 923832050 /nfs/dbraw/zinc/83/20/50/923832050.db2.gz ADHWCYBDEWAUQH-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391386534 923832490 /nfs/dbraw/zinc/83/24/90/923832490.db2.gz ADHWCYBDEWAUQH-MJBXVCDLSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391386534 923832505 /nfs/dbraw/zinc/83/25/05/923832505.db2.gz ADHWCYBDEWAUQH-MJBXVCDLSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391386534 923832514 /nfs/dbraw/zinc/83/25/14/923832514.db2.gz ADHWCYBDEWAUQH-MJBXVCDLSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391386534 923832524 /nfs/dbraw/zinc/83/25/24/923832524.db2.gz ADHWCYBDEWAUQH-MJBXVCDLSA-N 2 2 315.414 -1.095 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001391477475 923847413 /nfs/dbraw/zinc/84/74/13/923847413.db2.gz QYYMYGXRVDBJMA-LBPRGKRZSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001391477475 923847422 /nfs/dbraw/zinc/84/74/22/923847422.db2.gz QYYMYGXRVDBJMA-LBPRGKRZSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001391515225 923850730 /nfs/dbraw/zinc/85/07/30/923850730.db2.gz NNDGELFZROLGRJ-GFCCVEGCSA-N 2 2 318.443 -1.465 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001391515225 923850741 /nfs/dbraw/zinc/85/07/41/923850741.db2.gz NNDGELFZROLGRJ-GFCCVEGCSA-N 2 2 318.443 -1.465 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001391503821 923850925 /nfs/dbraw/zinc/85/09/25/923850925.db2.gz FKLMOJHHMXBZNY-SNVBAGLBSA-N 2 2 311.386 -1.429 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001391503821 923850940 /nfs/dbraw/zinc/85/09/40/923850940.db2.gz FKLMOJHHMXBZNY-SNVBAGLBSA-N 2 2 311.386 -1.429 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391621565 923863359 /nfs/dbraw/zinc/86/33/59/923863359.db2.gz MEYCTSCFJPZYBV-GHMZBOCLSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391621565 923863374 /nfs/dbraw/zinc/86/33/74/923863374.db2.gz MEYCTSCFJPZYBV-GHMZBOCLSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621565 923863389 /nfs/dbraw/zinc/86/33/89/923863389.db2.gz MEYCTSCFJPZYBV-GHMZBOCLSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621565 923863401 /nfs/dbraw/zinc/86/34/01/923863401.db2.gz MEYCTSCFJPZYBV-GHMZBOCLSA-N 2 2 311.386 -1.334 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879479 923880867 /nfs/dbraw/zinc/88/08/67/923880867.db2.gz AUNPLJLLPLNPBQ-DGCLKSJQSA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879479 923880885 /nfs/dbraw/zinc/88/08/85/923880885.db2.gz AUNPLJLLPLNPBQ-DGCLKSJQSA-N 2 2 310.402 -1.012 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391988202 923898874 /nfs/dbraw/zinc/89/88/74/923898874.db2.gz POMSNACSRAJPKV-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391988202 923898883 /nfs/dbraw/zinc/89/88/83/923898883.db2.gz POMSNACSRAJPKV-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001391988202 923898890 /nfs/dbraw/zinc/89/88/90/923898890.db2.gz POMSNACSRAJPKV-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391988202 923898895 /nfs/dbraw/zinc/89/88/95/923898895.db2.gz POMSNACSRAJPKV-BFHYXJOUSA-N 2 2 315.414 -1.095 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392141800 923941769 /nfs/dbraw/zinc/94/17/69/923941769.db2.gz NQAGHCINLRKFKY-SNVBAGLBSA-N 2 2 310.358 -1.225 20 0 DAADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001392251326 923952859 /nfs/dbraw/zinc/95/28/59/923952859.db2.gz GDHCMSHZUSRTQI-SNVBAGLBSA-N 2 2 310.358 -1.192 20 0 DAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001392364517 923975170 /nfs/dbraw/zinc/97/51/70/923975170.db2.gz LJSCBMFWEGQBNU-VXGBXAGGSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001392364517 923975180 /nfs/dbraw/zinc/97/51/80/923975180.db2.gz LJSCBMFWEGQBNU-VXGBXAGGSA-N 2 2 312.374 -2.288 20 0 DAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001392395789 924009527 /nfs/dbraw/zinc/00/95/27/924009527.db2.gz XPNPOVMHTKUPLA-LLVKDONJSA-N 2 2 307.358 -1.115 20 0 DAADLP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001392423262 924028056 /nfs/dbraw/zinc/02/80/56/924028056.db2.gz MILIQUOKRXOKAR-ZDUSSCGKSA-N 2 2 306.370 -1.037 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)C ZINC001392423256 924028878 /nfs/dbraw/zinc/02/88/78/924028878.db2.gz UEJURYXTEYLXMQ-LLVKDONJSA-N 2 2 311.386 -1.148 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392434193 924031006 /nfs/dbraw/zinc/03/10/06/924031006.db2.gz WKPBDIULSACTPK-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392434202 924031355 /nfs/dbraw/zinc/03/13/55/924031355.db2.gz WKPBDIULSACTPK-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392432950 924031581 /nfs/dbraw/zinc/03/15/81/924031581.db2.gz TVQFASFSTSSITE-SECBINFHSA-N 2 2 312.330 -2.595 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1c[nH+]cn1C ZINC001392609322 924054932 /nfs/dbraw/zinc/05/49/32/924054932.db2.gz YPEUMZRADDGXIJ-LBPRGKRZSA-N 2 2 323.397 -1.084 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001393249316 924131988 /nfs/dbraw/zinc/13/19/88/924131988.db2.gz QOAQPMNOKKJCGP-DOMZBBRYSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001393249316 924132001 /nfs/dbraw/zinc/13/20/01/924132001.db2.gz QOAQPMNOKKJCGP-DOMZBBRYSA-N 2 2 308.382 -1.009 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)no1 ZINC001393250660 924136276 /nfs/dbraw/zinc/13/62/76/924136276.db2.gz VGKDEBZHQVFUAR-CQSZACIVSA-N 2 2 312.370 -1.105 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)no1 ZINC001393250660 924136285 /nfs/dbraw/zinc/13/62/85/924136285.db2.gz VGKDEBZHQVFUAR-CQSZACIVSA-N 2 2 312.370 -1.105 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)no1 ZINC001393250659 924137497 /nfs/dbraw/zinc/13/74/97/924137497.db2.gz VGKDEBZHQVFUAR-AWEZNQCLSA-N 2 2 312.370 -1.105 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)no1 ZINC001393250659 924137503 /nfs/dbraw/zinc/13/75/03/924137503.db2.gz VGKDEBZHQVFUAR-AWEZNQCLSA-N 2 2 312.370 -1.105 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393279016 924151516 /nfs/dbraw/zinc/15/15/16/924151516.db2.gz RVFYRDALEGIJDL-CQSZACIVSA-N 2 2 309.370 -1.509 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393279016 924151525 /nfs/dbraw/zinc/15/15/25/924151525.db2.gz RVFYRDALEGIJDL-CQSZACIVSA-N 2 2 309.370 -1.509 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@H](C)OC)C2)C1 ZINC001393360945 924191846 /nfs/dbraw/zinc/19/18/46/924191846.db2.gz OITQGDNAIVWTNQ-STQMWFEESA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@H](C)OC)C2)C1 ZINC001393360945 924191852 /nfs/dbraw/zinc/19/18/52/924191852.db2.gz OITQGDNAIVWTNQ-STQMWFEESA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001393468127 924211999 /nfs/dbraw/zinc/21/19/99/924211999.db2.gz IWZRYBFSCZIVEI-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001393468127 924212013 /nfs/dbraw/zinc/21/20/13/924212013.db2.gz IWZRYBFSCZIVEI-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001393590148 924234658 /nfs/dbraw/zinc/23/46/58/924234658.db2.gz NOCDNVDOINUQPG-OLZOCXBDSA-N 2 2 312.370 -1.224 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001393590136 924235368 /nfs/dbraw/zinc/23/53/68/924235368.db2.gz NOCDNVDOINUQPG-CHWSQXEVSA-N 2 2 312.370 -1.224 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692324 924247026 /nfs/dbraw/zinc/24/70/26/924247026.db2.gz JNENMCSLVQCXSD-RISCZKNCSA-N 2 2 314.386 -2.255 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692324 924247037 /nfs/dbraw/zinc/24/70/37/924247037.db2.gz JNENMCSLVQCXSD-RISCZKNCSA-N 2 2 314.386 -2.255 20 0 DAADLP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001393779720 924257175 /nfs/dbraw/zinc/25/71/75/924257175.db2.gz WZMCRHYPLFDMJJ-UHFFFAOYSA-N 2 2 309.370 -1.428 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC001393842409 924261843 /nfs/dbraw/zinc/26/18/43/924261843.db2.gz PJOHMSGNTXGZRM-VXGBXAGGSA-N 2 2 312.414 -1.245 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC001393842409 924261851 /nfs/dbraw/zinc/26/18/51/924261851.db2.gz PJOHMSGNTXGZRM-VXGBXAGGSA-N 2 2 312.414 -1.245 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047534 924276442 /nfs/dbraw/zinc/27/64/42/924276442.db2.gz OATNOQOILTZWQF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047534 924276450 /nfs/dbraw/zinc/27/64/50/924276450.db2.gz OATNOQOILTZWQF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047534 924276458 /nfs/dbraw/zinc/27/64/58/924276458.db2.gz OATNOQOILTZWQF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047534 924276467 /nfs/dbraw/zinc/27/64/67/924276467.db2.gz OATNOQOILTZWQF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575636 924312887 /nfs/dbraw/zinc/31/28/87/924312887.db2.gz YYTAWELYNWPCGF-RYUDHWBXSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575636 924312896 /nfs/dbraw/zinc/31/28/96/924312896.db2.gz YYTAWELYNWPCGF-RYUDHWBXSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394582174 924320577 /nfs/dbraw/zinc/32/05/77/924320577.db2.gz SFPICMCMPHOZNM-BDAKNGLRSA-N 2 2 301.347 -2.658 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394582174 924320585 /nfs/dbraw/zinc/32/05/85/924320585.db2.gz SFPICMCMPHOZNM-BDAKNGLRSA-N 2 2 301.347 -2.658 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001394587221 924324519 /nfs/dbraw/zinc/32/45/19/924324519.db2.gz OKAYMIGXQDRXRX-CHWSQXEVSA-N 2 2 322.413 -1.276 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001394592652 924328472 /nfs/dbraw/zinc/32/84/72/924328472.db2.gz ZXUUMCBFZGIZQX-KGLIPLIRSA-N 2 2 322.413 -1.276 20 0 DAADLP Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001394632057 924347331 /nfs/dbraw/zinc/34/73/31/924347331.db2.gz NCOILFJPRDFZDV-GFCCVEGCSA-N 2 2 306.370 -1.005 20 0 DAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C2 ZINC001394637562 924348058 /nfs/dbraw/zinc/34/80/58/924348058.db2.gz QJMVUSYQBASSFH-GHMZBOCLSA-N 2 2 309.370 -1.694 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634775 924348304 /nfs/dbraw/zinc/34/83/04/924348304.db2.gz KUVZQIBSHQDGPZ-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634775 924348310 /nfs/dbraw/zinc/34/83/10/924348310.db2.gz KUVZQIBSHQDGPZ-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001394639772 924348693 /nfs/dbraw/zinc/34/86/93/924348693.db2.gz ACKRXEJLSLSUSM-NWDGAFQWSA-N 2 2 300.403 -1.341 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001394642044 924350396 /nfs/dbraw/zinc/35/03/96/924350396.db2.gz AVQTVDOIOMAVQM-VXGBXAGGSA-N 2 2 316.402 -2.090 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001394642044 924350406 /nfs/dbraw/zinc/35/04/06/924350406.db2.gz AVQTVDOIOMAVQM-VXGBXAGGSA-N 2 2 316.402 -2.090 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001394642041 924351671 /nfs/dbraw/zinc/35/16/71/924351671.db2.gz AVQTVDOIOMAVQM-NWDGAFQWSA-N 2 2 316.402 -2.090 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001394642041 924351679 /nfs/dbraw/zinc/35/16/79/924351679.db2.gz AVQTVDOIOMAVQM-NWDGAFQWSA-N 2 2 316.402 -2.090 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001394649143 924353056 /nfs/dbraw/zinc/35/30/56/924353056.db2.gz UURKKWONULJHKW-WDEREUQCSA-N 2 2 319.369 -1.202 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394647661 924353762 /nfs/dbraw/zinc/35/37/62/924353762.db2.gz QETQKXLOUGEZDL-SNVBAGLBSA-N 2 2 314.390 -1.985 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394647661 924353773 /nfs/dbraw/zinc/35/37/73/924353773.db2.gz QETQKXLOUGEZDL-SNVBAGLBSA-N 2 2 314.390 -1.985 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394652266 924354594 /nfs/dbraw/zinc/35/45/94/924354594.db2.gz LWLHGYUONZCBIN-NEPJUHHUSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394652266 924354604 /nfs/dbraw/zinc/35/46/04/924354604.db2.gz LWLHGYUONZCBIN-NEPJUHHUSA-N 2 2 310.402 -1.276 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001394649714 924354818 /nfs/dbraw/zinc/35/48/18/924354818.db2.gz SOMAWRNMXQMRDT-PWSUYJOCSA-N 2 2 323.397 -1.006 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001394653650 924358013 /nfs/dbraw/zinc/35/80/13/924358013.db2.gz OKKNIHXDJDESAM-LLVKDONJSA-N 2 2 323.401 -1.330 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001394658662 924358984 /nfs/dbraw/zinc/35/89/84/924358984.db2.gz MFTCZHKMKKGSRK-NSHDSACASA-N 2 2 310.358 -2.025 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001394657594 924359373 /nfs/dbraw/zinc/35/93/73/924359373.db2.gz HDBHOGCSVZWULI-OLZOCXBDSA-N 2 2 323.397 -1.134 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001394657596 924359705 /nfs/dbraw/zinc/35/97/05/924359705.db2.gz HDBHOGCSVZWULI-STQMWFEESA-N 2 2 323.397 -1.134 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001394700412 924361405 /nfs/dbraw/zinc/36/14/05/924361405.db2.gz JNUIDSNSGNHSNV-GHMZBOCLSA-N 2 2 322.369 -1.048 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001394739462 924371424 /nfs/dbraw/zinc/37/14/24/924371424.db2.gz BTRODHPHXSOSID-MNOVXSKESA-N 2 2 311.386 -1.365 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001394755550 924379536 /nfs/dbraw/zinc/37/95/36/924379536.db2.gz DDKSAOCQXWDBEZ-LLVKDONJSA-N 2 2 311.386 -1.194 20 0 DAADLP COCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(N)=O ZINC001394837260 924393530 /nfs/dbraw/zinc/39/35/30/924393530.db2.gz NNMHMJHTEBRZRS-UHFFFAOYSA-N 2 2 300.403 -1.122 20 0 DAADLP COCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(N)=O ZINC001394837260 924393539 /nfs/dbraw/zinc/39/35/39/924393539.db2.gz NNMHMJHTEBRZRS-UHFFFAOYSA-N 2 2 300.403 -1.122 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001395737322 924455771 /nfs/dbraw/zinc/45/57/71/924455771.db2.gz MVZMOFGBUFGVFF-QWRGUYRKSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001395737322 924455774 /nfs/dbraw/zinc/45/57/74/924455774.db2.gz MVZMOFGBUFGVFF-QWRGUYRKSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001395737313 924456139 /nfs/dbraw/zinc/45/61/39/924456139.db2.gz MVZMOFGBUFGVFF-GHMZBOCLSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001395737313 924456145 /nfs/dbraw/zinc/45/61/45/924456145.db2.gz MVZMOFGBUFGVFF-GHMZBOCLSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395737417 924456271 /nfs/dbraw/zinc/45/62/71/924456271.db2.gz NJQSKXVSFZNPPR-JQWIXIFHSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395737417 924456279 /nfs/dbraw/zinc/45/62/79/924456279.db2.gz NJQSKXVSFZNPPR-JQWIXIFHSA-N 2 2 309.370 -1.503 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001395759608 924464622 /nfs/dbraw/zinc/46/46/22/924464622.db2.gz ZAYRKTBIYQTMFI-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001395790858 924476717 /nfs/dbraw/zinc/47/67/17/924476717.db2.gz NLYFMLLUAWXYIL-WDEREUQCSA-N 2 2 311.386 -1.114 20 0 DAADLP CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001395807584 924482740 /nfs/dbraw/zinc/48/27/40/924482740.db2.gz OGYXGBPMBWJXHG-NEPJUHHUSA-N 2 2 311.386 -1.183 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001396378861 924515566 /nfs/dbraw/zinc/51/55/66/924515566.db2.gz KLFWYSNXWBLGMV-CHWSQXEVSA-N 2 2 323.397 -1.089 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001396378861 924515571 /nfs/dbraw/zinc/51/55/71/924515571.db2.gz KLFWYSNXWBLGMV-CHWSQXEVSA-N 2 2 323.397 -1.089 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001397806347 924601308 /nfs/dbraw/zinc/60/13/08/924601308.db2.gz UILAEPBCAMGVSO-MNOVXSKESA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001397806347 924601313 /nfs/dbraw/zinc/60/13/13/924601313.db2.gz UILAEPBCAMGVSO-MNOVXSKESA-N 2 2 322.369 -1.035 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001398248379 924629142 /nfs/dbraw/zinc/62/91/42/924629142.db2.gz JDPRCOYBRXAKOG-NSHDSACASA-N 2 2 323.397 -1.142 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001398248379 924629153 /nfs/dbraw/zinc/62/91/53/924629153.db2.gz JDPRCOYBRXAKOG-NSHDSACASA-N 2 2 323.397 -1.142 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001398299974 924636870 /nfs/dbraw/zinc/63/68/70/924636870.db2.gz NRWNGQOXDYYGFM-JTQLQIEISA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001398299974 924636875 /nfs/dbraw/zinc/63/68/75/924636875.db2.gz NRWNGQOXDYYGFM-JTQLQIEISA-N 2 2 311.386 -1.144 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001398448914 924643309 /nfs/dbraw/zinc/64/33/09/924643309.db2.gz IYHLTPNHQTWQBS-SNVBAGLBSA-N 2 2 308.342 -1.438 20 0 DAADLP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(=O)N1CCC1 ZINC001399605407 924711207 /nfs/dbraw/zinc/71/12/07/924711207.db2.gz YGUARVQYPATQCX-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(=O)N1CCC1 ZINC001399605407 924711217 /nfs/dbraw/zinc/71/12/17/924711217.db2.gz YGUARVQYPATQCX-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001399817839 924738425 /nfs/dbraw/zinc/73/84/25/924738425.db2.gz BFLOKPDJGNKYEY-GRYCIOLGSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001399817839 924738433 /nfs/dbraw/zinc/73/84/33/924738433.db2.gz BFLOKPDJGNKYEY-GRYCIOLGSA-N 2 2 323.397 -1.114 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849195 924744855 /nfs/dbraw/zinc/74/48/55/924744855.db2.gz KEMWWHQHSDNJHV-MNOVXSKESA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849195 924744859 /nfs/dbraw/zinc/74/48/59/924744859.db2.gz KEMWWHQHSDNJHV-MNOVXSKESA-N 2 2 309.370 -1.503 20 0 DAADLP CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)CCC[NH+](C)C ZINC001400201264 924777328 /nfs/dbraw/zinc/77/73/28/924777328.db2.gz PGVPMOUYRRJKEO-UHFFFAOYSA-N 2 2 313.446 -1.111 20 0 DAADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001400519464 924807817 /nfs/dbraw/zinc/80/78/17/924807817.db2.gz AKYKDPOYMSNHDW-LLVKDONJSA-N 2 2 313.402 -1.170 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001400630607 924818984 /nfs/dbraw/zinc/81/89/84/924818984.db2.gz OVSWAMQYEXXLJT-KOLCDFICSA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001400630607 924818992 /nfs/dbraw/zinc/81/89/92/924818992.db2.gz OVSWAMQYEXXLJT-KOLCDFICSA-N 2 2 322.369 -1.035 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001400689865 924825150 /nfs/dbraw/zinc/82/51/50/924825150.db2.gz PFMQXESEUQVXLV-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001400689865 924825160 /nfs/dbraw/zinc/82/51/60/924825160.db2.gz PFMQXESEUQVXLV-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400733681 924829443 /nfs/dbraw/zinc/82/94/43/924829443.db2.gz XAXUIVUMMGCWKH-LLVKDONJSA-N 2 2 323.397 -1.190 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400733681 924829446 /nfs/dbraw/zinc/82/94/46/924829446.db2.gz XAXUIVUMMGCWKH-LLVKDONJSA-N 2 2 323.397 -1.190 20 0 DAADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001401265350 924853486 /nfs/dbraw/zinc/85/34/86/924853486.db2.gz DKHISXPIMBVHDA-VHSXEESVSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401265351 924853846 /nfs/dbraw/zinc/85/38/46/924853846.db2.gz DKHISXPIMBVHDA-ZJUUUORDSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401257234 924854703 /nfs/dbraw/zinc/85/47/03/924854703.db2.gz QPTYBBSWHDLCRF-VIFPVBQESA-N 2 2 310.358 -1.406 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001401500492 924869525 /nfs/dbraw/zinc/86/95/25/924869525.db2.gz DIANRLLGCLFWBF-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001401500492 924869530 /nfs/dbraw/zinc/86/95/30/924869530.db2.gz DIANRLLGCLFWBF-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401563180 924892783 /nfs/dbraw/zinc/89/27/83/924892783.db2.gz SLEZUFGIIKQYRD-NEPJUHHUSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401563180 924892793 /nfs/dbraw/zinc/89/27/93/924892793.db2.gz SLEZUFGIIKQYRD-NEPJUHHUSA-N 2 2 310.402 -1.134 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401568198 924894350 /nfs/dbraw/zinc/89/43/50/924894350.db2.gz YZNLUHNMVPTKGA-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401568198 924894357 /nfs/dbraw/zinc/89/43/57/924894357.db2.gz YZNLUHNMVPTKGA-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401566337 924894832 /nfs/dbraw/zinc/89/48/32/924894832.db2.gz GPBYHDOZGZRJHG-GFCCVEGCSA-N 2 2 309.370 -1.359 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001401572191 924896852 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CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001405039029 925233741 /nfs/dbraw/zinc/23/37/41/925233741.db2.gz CUODFLNXEMAMTH-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001405292661 925280263 /nfs/dbraw/zinc/28/02/63/925280263.db2.gz QRRGHUCVNSUKEY-GRYCIOLGSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001405292661 925280266 /nfs/dbraw/zinc/28/02/66/925280266.db2.gz QRRGHUCVNSUKEY-GRYCIOLGSA-N 2 2 323.397 -1.114 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405334000 925289740 /nfs/dbraw/zinc/28/97/40/925289740.db2.gz KGNJSZZUYLBOPM-NSHDSACASA-N 2 2 321.381 -1.359 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334866 925290509 /nfs/dbraw/zinc/29/05/09/925290509.db2.gz LRFLZORHFCWSLI-VXGBXAGGSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334866 925290514 /nfs/dbraw/zinc/29/05/14/925290514.db2.gz LRFLZORHFCWSLI-VXGBXAGGSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001405344231 925294191 /nfs/dbraw/zinc/29/41/91/925294191.db2.gz MIPUYRLCWNLVFU-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001405344231 925294196 /nfs/dbraw/zinc/29/41/96/925294196.db2.gz MIPUYRLCWNLVFU-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001405435272 925309553 /nfs/dbraw/zinc/30/95/53/925309553.db2.gz HKQJNGRMYHRDJM-WFASDCNBSA-N 2 2 312.414 -1.063 20 0 DAADLP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001405435272 925309561 /nfs/dbraw/zinc/30/95/61/925309561.db2.gz HKQJNGRMYHRDJM-WFASDCNBSA-N 2 2 312.414 -1.063 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O ZINC001406174651 925348227 /nfs/dbraw/zinc/34/82/27/925348227.db2.gz MALULSVVGNMYMV-UHFFFAOYSA-N 2 2 301.391 -1.088 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O ZINC001406174651 925348236 /nfs/dbraw/zinc/34/82/36/925348236.db2.gz MALULSVVGNMYMV-UHFFFAOYSA-N 2 2 301.391 -1.088 20 0 DAADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001406174651 925348246 /nfs/dbraw/zinc/34/82/46/925348246.db2.gz MALULSVVGNMYMV-UHFFFAOYSA-N 2 2 301.391 -1.088 20 0 DAADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001406174651 925348255 /nfs/dbraw/zinc/34/82/55/925348255.db2.gz MALULSVVGNMYMV-UHFFFAOYSA-N 2 2 301.391 -1.088 20 0 DAADLP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001406223463 925361937 /nfs/dbraw/zinc/36/19/37/925361937.db2.gz YPSLCTVUQOBVGC-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001406223463 925361945 /nfs/dbraw/zinc/36/19/45/925361945.db2.gz YPSLCTVUQOBVGC-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001406223454 925362817 /nfs/dbraw/zinc/36/28/17/925362817.db2.gz YPSLCTVUQOBVGC-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001406223454 925362826 /nfs/dbraw/zinc/36/28/26/925362826.db2.gz YPSLCTVUQOBVGC-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)c1cccc2[nH+]ccn21 ZINC001406253251 925376927 /nfs/dbraw/zinc/37/69/27/925376927.db2.gz XYOOUPADEWRBDE-WDEREUQCSA-N 2 2 317.349 -1.097 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001406288516 925395545 /nfs/dbraw/zinc/39/55/45/925395545.db2.gz UEMTVAFHOVLXRN-ZDUSSCGKSA-N 2 2 323.397 -1.348 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001406299695 925400994 /nfs/dbraw/zinc/40/09/94/925400994.db2.gz XHPLTWZBRGWAQP-JTQLQIEISA-N 2 2 308.346 -2.018 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001406510564 925420295 /nfs/dbraw/zinc/42/02/95/925420295.db2.gz PPBLSENBBPYWQE-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cn1cc[nH+]c1 ZINC001406571949 925422940 /nfs/dbraw/zinc/42/29/40/925422940.db2.gz OJHKUUUYRTZNEQ-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001406913158 925442876 /nfs/dbraw/zinc/44/28/76/925442876.db2.gz UFYVLDSEFABIAV-NSHDSACASA-N 2 2 319.427 -1.400 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001406913158 925442881 /nfs/dbraw/zinc/44/28/81/925442881.db2.gz UFYVLDSEFABIAV-NSHDSACASA-N 2 2 319.427 -1.400 20 0 DAADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001407309964 925462885 /nfs/dbraw/zinc/46/28/85/925462885.db2.gz RWECUFWQKDJLOW-UHFFFAOYSA-N 2 2 309.370 -1.047 20 0 DAADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001407429662 925492075 /nfs/dbraw/zinc/49/20/75/925492075.db2.gz JOKQZJFQPLXWPS-CYBMUJFWSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+](CC(=O)N[C@]1(CO)CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001407655038 925515051 /nfs/dbraw/zinc/51/50/51/925515051.db2.gz VGSQRNFIKNJMQX-OAHLLOKOSA-N 2 2 312.414 -1.101 20 0 DAADLP C[N@@H+](CC(=O)N[C@]1(CO)CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001407655038 925515053 /nfs/dbraw/zinc/51/50/53/925515053.db2.gz VGSQRNFIKNJMQX-OAHLLOKOSA-N 2 2 312.414 -1.101 20 0 DAADLP C[NH+](CC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001407655038 925515057 /nfs/dbraw/zinc/51/50/57/925515057.db2.gz VGSQRNFIKNJMQX-OAHLLOKOSA-N 2 2 312.414 -1.101 20 0 DAADLP C[NH+](CC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001407655038 925515062 /nfs/dbraw/zinc/51/50/62/925515062.db2.gz VGSQRNFIKNJMQX-OAHLLOKOSA-N 2 2 312.414 -1.101 20 0 DAADLP CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001407669939 925516035 /nfs/dbraw/zinc/51/60/35/925516035.db2.gz XVMAPHVHPGHNLT-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001407669123 925517069 /nfs/dbraw/zinc/51/70/69/925517069.db2.gz WXRRTRVLXOIJHM-NSHDSACASA-N 2 2 309.370 -1.407 20 0 DAADLP CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001407867940 925532324 /nfs/dbraw/zinc/53/23/24/925532324.db2.gz MVCJPKBPNUIJGX-JTQLQIEISA-N 2 2 309.370 -1.010 20 0 DAADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001408103211 925547952 /nfs/dbraw/zinc/54/79/52/925547952.db2.gz YHEOCBUTMCPRGX-DTWKUNHWSA-N 2 2 308.342 -1.416 20 0 DAADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001408103214 925548621 /nfs/dbraw/zinc/54/86/21/925548621.db2.gz YHEOCBUTMCPRGX-IUCAKERBSA-N 2 2 308.342 -1.416 20 0 DAADLP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001408166605 925553369 /nfs/dbraw/zinc/55/33/69/925553369.db2.gz XZYCVVMQKXLBDA-UHFFFAOYSA-N 2 2 309.370 -1.359 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410120802 925688144 /nfs/dbraw/zinc/68/81/44/925688144.db2.gz INJGDXDXPWYWHD-RYUDHWBXSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410120802 925688152 /nfs/dbraw/zinc/68/81/52/925688152.db2.gz INJGDXDXPWYWHD-RYUDHWBXSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410120811 925688905 /nfs/dbraw/zinc/68/89/05/925688905.db2.gz INJGDXDXPWYWHD-VXGBXAGGSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410120811 925688913 /nfs/dbraw/zinc/68/89/13/925688913.db2.gz INJGDXDXPWYWHD-VXGBXAGGSA-N 2 2 323.397 -1.113 20 0 DAADLP CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001410135686 925691922 /nfs/dbraw/zinc/69/19/22/925691922.db2.gz ODAWBNCRQKBBQW-WDEREUQCSA-N 2 2 311.386 -1.114 20 0 DAADLP CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001410135683 925692982 /nfs/dbraw/zinc/69/29/82/925692982.db2.gz ODAWBNCRQKBBQW-GHMZBOCLSA-N 2 2 311.386 -1.114 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001410217069 925703030 /nfs/dbraw/zinc/70/30/30/925703030.db2.gz GNHHDLVKUXKOCZ-MGCOHNPYSA-N 2 2 322.369 -1.358 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001410653628 925748638 /nfs/dbraw/zinc/74/86/38/925748638.db2.gz JOUHLOVPJSUTDU-UONOGXRCSA-N 2 2 322.413 -1.276 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001410729348 925769813 /nfs/dbraw/zinc/76/98/13/925769813.db2.gz NTAKNKLODZRWHX-WCQYABFASA-N 2 2 312.418 -1.032 20 0 DAADLP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2c[nH+]cn2C)C1=O ZINC001410760226 925773405 /nfs/dbraw/zinc/77/34/05/925773405.db2.gz YMAUFBUULDTRPT-YPMHNXCESA-N 2 2 323.397 -1.350 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001411047478 925805642 /nfs/dbraw/zinc/80/56/42/925805642.db2.gz JGJLIUPTMAAPMA-LLVKDONJSA-N 2 2 322.373 -1.676 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001411119665 925814213 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0 DAADLP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001411180323 925829487 /nfs/dbraw/zinc/82/94/87/925829487.db2.gz AJMLULKXZLVNAK-RYUDHWBXSA-N 2 2 309.370 -1.477 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001411180315 925829821 /nfs/dbraw/zinc/82/98/21/925829821.db2.gz AJMLULKXZLVNAK-NEPJUHHUSA-N 2 2 309.370 -1.477 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001411180315 925829824 /nfs/dbraw/zinc/82/98/24/925829824.db2.gz AJMLULKXZLVNAK-NEPJUHHUSA-N 2 2 309.370 -1.477 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)C1 ZINC001411192306 925830178 /nfs/dbraw/zinc/83/01/78/925830178.db2.gz YVFLWPDICAVLNB-VXGBXAGGSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O)C1 ZINC001411192306 925830187 /nfs/dbraw/zinc/83/01/87/925830187.db2.gz YVFLWPDICAVLNB-VXGBXAGGSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)C1 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DAADLP C[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CC1 ZINC001421174547 926653303 /nfs/dbraw/zinc/65/33/03/926653303.db2.gz RPYNPQLRSWNMKZ-UHFFFAOYSA-N 2 2 311.386 -1.429 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421414800 926692276 /nfs/dbraw/zinc/69/22/76/926692276.db2.gz ARBNUQVOWUZUMZ-RYUDHWBXSA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421414800 926692289 /nfs/dbraw/zinc/69/22/89/926692289.db2.gz ARBNUQVOWUZUMZ-RYUDHWBXSA-N 2 2 301.387 -1.749 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412381 926693442 /nfs/dbraw/zinc/69/34/42/926693442.db2.gz NKZFZGWBOZKLDP-XHDPSFHLSA-N 2 2 323.397 -1.350 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412381 926693447 /nfs/dbraw/zinc/69/34/47/926693447.db2.gz NKZFZGWBOZKLDP-XHDPSFHLSA-N 2 2 323.397 -1.350 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001421635934 926736882 /nfs/dbraw/zinc/73/68/82/926736882.db2.gz PAEJYXSTPFSZRA-QJPTWQEYSA-N 2 2 323.397 -1.192 20 0 DAADLP CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001421633475 926737460 /nfs/dbraw/zinc/73/74/60/926737460.db2.gz HDWYAUJZCLSQIV-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001421822682 926763108 /nfs/dbraw/zinc/76/31/08/926763108.db2.gz NCOWZLQGQMNOLZ-VXGBXAGGSA-N 2 2 312.370 -1.224 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001422060280 926783717 /nfs/dbraw/zinc/78/37/17/926783717.db2.gz JZRJDRHCLAYWLH-ZJUUUORDSA-N 2 2 322.369 -1.156 20 0 DAADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001422201368 926800804 /nfs/dbraw/zinc/80/08/04/926800804.db2.gz QPFYEEIBAHYCOD-JTQLQIEISA-N 2 2 301.391 -1.088 20 0 DAADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001422201368 926800813 /nfs/dbraw/zinc/80/08/13/926800813.db2.gz QPFYEEIBAHYCOD-JTQLQIEISA-N 2 2 301.391 -1.088 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001422342544 926836964 /nfs/dbraw/zinc/83/69/64/926836964.db2.gz KFFWEWQCGNBBFG-RYUDHWBXSA-N 2 2 311.386 -1.183 20 0 DAADLP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001422347458 926841014 /nfs/dbraw/zinc/84/10/14/926841014.db2.gz OPTJHHIKJGOCNM-GFCCVEGCSA-N 2 2 307.358 -1.331 20 0 DAADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001422375800 926855019 /nfs/dbraw/zinc/85/50/19/926855019.db2.gz OEMWCTOLJDTWPF-VHSXEESVSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001422375803 926856139 /nfs/dbraw/zinc/85/61/39/926856139.db2.gz OEMWCTOLJDTWPF-ZJUUUORDSA-N 2 2 310.358 -1.049 20 0 DAADLP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001422398934 926862075 /nfs/dbraw/zinc/86/20/75/926862075.db2.gz UUKAOISJYPIKAR-LLVKDONJSA-N 2 2 307.358 -1.170 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001422396333 926864039 /nfs/dbraw/zinc/86/40/39/926864039.db2.gz WZDDVWLGHNDNBT-CMPLNLGQSA-N 2 2 323.397 -1.006 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001422404226 926866205 /nfs/dbraw/zinc/86/62/05/926866205.db2.gz USYWHAXCKJWYLA-GFCCVEGCSA-N 2 2 309.370 -1.692 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001422409708 926866588 /nfs/dbraw/zinc/86/65/88/926866588.db2.gz XEVNTUOOKKQKSN-NEPJUHHUSA-N 2 2 309.370 -1.382 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001422403443 926868236 /nfs/dbraw/zinc/86/82/36/926868236.db2.gz KJBXWZYGFASBQL-QWRGUYRKSA-N 2 2 307.358 -1.161 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419890 926868762 /nfs/dbraw/zinc/86/87/62/926868762.db2.gz ZGPKHLLQKHALDR-STQMWFEESA-N 2 2 312.370 -1.038 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419890 926868779 /nfs/dbraw/zinc/86/87/79/926868779.db2.gz ZGPKHLLQKHALDR-STQMWFEESA-N 2 2 312.370 -1.038 20 0 DAADLP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)CC(N)=O ZINC001422605257 926890915 /nfs/dbraw/zinc/89/09/15/926890915.db2.gz RXZQOCSQHMUHGS-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)CC(N)=O ZINC001422605257 926890927 /nfs/dbraw/zinc/89/09/27/926890927.db2.gz RXZQOCSQHMUHGS-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001422936264 926931406 /nfs/dbraw/zinc/93/14/06/926931406.db2.gz UWNFLZLOGNGXMQ-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001422936264 926931419 /nfs/dbraw/zinc/93/14/19/926931419.db2.gz UWNFLZLOGNGXMQ-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001422936264 926931431 /nfs/dbraw/zinc/93/14/31/926931431.db2.gz UWNFLZLOGNGXMQ-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001422936264 926931442 /nfs/dbraw/zinc/93/14/42/926931442.db2.gz UWNFLZLOGNGXMQ-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001422955598 926931678 /nfs/dbraw/zinc/93/16/78/926931678.db2.gz UBCJHWDHIKKMQE-NXEZZACHSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001422955598 926931689 /nfs/dbraw/zinc/93/16/89/926931689.db2.gz UBCJHWDHIKKMQE-NXEZZACHSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001423137989 926951580 /nfs/dbraw/zinc/95/15/80/926951580.db2.gz VLUHLGFKOPCCKS-RKDXNWHRSA-N 2 2 310.358 -1.028 20 0 DAADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001423137985 926952281 /nfs/dbraw/zinc/95/22/81/926952281.db2.gz VLUHLGFKOPCCKS-IUCAKERBSA-N 2 2 310.358 -1.028 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001423216937 926976989 /nfs/dbraw/zinc/97/69/89/926976989.db2.gz RGRMTQCJEFKETN-RAIGVLPGSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001423216937 926976995 /nfs/dbraw/zinc/97/69/95/926976995.db2.gz RGRMTQCJEFKETN-RAIGVLPGSA-N 2 2 310.402 -1.278 20 0 DAADLP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)CC1 ZINC001423304510 927022701 /nfs/dbraw/zinc/02/27/01/927022701.db2.gz OIDJBTJDRWKRNW-STQMWFEESA-N 2 2 312.414 -1.327 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001423302748 927023190 /nfs/dbraw/zinc/02/31/90/927023190.db2.gz MDPSHZSKPOWZHT-LLVKDONJSA-N 2 2 309.370 -1.359 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423309023 927025717 /nfs/dbraw/zinc/02/57/17/927025717.db2.gz RRFVDWOJSVTGNH-NEPJUHHUSA-N 2 2 310.402 -1.184 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423309023 927025744 /nfs/dbraw/zinc/02/57/44/927025744.db2.gz RRFVDWOJSVTGNH-NEPJUHHUSA-N 2 2 310.402 -1.184 20 0 DAADLP Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423311376 927026734 /nfs/dbraw/zinc/02/67/34/927026734.db2.gz RKLDBJYYUWLQRH-GFCCVEGCSA-N 2 2 306.370 -1.074 20 0 DAADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423344900 927031108 /nfs/dbraw/zinc/03/11/08/927031108.db2.gz HKTNRCQXEYZXLN-PSASIEDQSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423344904 927032121 /nfs/dbraw/zinc/03/21/21/927032121.db2.gz HKTNRCQXEYZXLN-SCZZXKLOSA-N 2 2 308.342 -1.274 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001423455335 927060374 /nfs/dbraw/zinc/06/03/74/927060374.db2.gz BILOESCILFLSLZ-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001423455338 927060984 /nfs/dbraw/zinc/06/09/84/927060984.db2.gz BILOESCILFLSLZ-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cn1cc[nH+]c1 ZINC001423493358 927079440 /nfs/dbraw/zinc/07/94/40/927079440.db2.gz VKALMRMLVKQIMZ-LBPRGKRZSA-N 2 2 307.358 -1.379 20 0 DAADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001423509240 927084705 /nfs/dbraw/zinc/08/47/05/927084705.db2.gz AAQYMAXKHJYGGC-RYUDHWBXSA-N 2 2 311.386 -1.102 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001423509240 927084717 /nfs/dbraw/zinc/08/47/17/927084717.db2.gz AAQYMAXKHJYGGC-RYUDHWBXSA-N 2 2 311.386 -1.102 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001423547706 927091094 /nfs/dbraw/zinc/09/10/94/927091094.db2.gz VKUUTAGTDDONJA-CHWSQXEVSA-N 2 2 323.397 -1.135 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001423547706 927091110 /nfs/dbraw/zinc/09/11/10/927091110.db2.gz VKUUTAGTDDONJA-CHWSQXEVSA-N 2 2 323.397 -1.135 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001423547717 927093551 /nfs/dbraw/zinc/09/35/51/927093551.db2.gz VKUUTAGTDDONJA-STQMWFEESA-N 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ZINC001423730332 927106928 /nfs/dbraw/zinc/10/69/28/927106928.db2.gz RGRSXWJTIGSXFV-UHFFFAOYSA-N 2 2 323.397 -1.036 20 0 DAADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001423758679 927116120 /nfs/dbraw/zinc/11/61/20/927116120.db2.gz IQGFNGGFOMJKCI-SWLSCSKDSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001423758679 927116129 /nfs/dbraw/zinc/11/61/29/927116129.db2.gz IQGFNGGFOMJKCI-SWLSCSKDSA-N 2 2 308.382 -1.009 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423772274 927121715 /nfs/dbraw/zinc/12/17/15/927121715.db2.gz GJSMTYJEWSPTIE-FZMZJTMJSA-N 2 2 309.370 -1.382 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423772274 927121722 /nfs/dbraw/zinc/12/17/22/927121722.db2.gz GJSMTYJEWSPTIE-FZMZJTMJSA-N 2 2 309.370 -1.382 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001423773819 927121814 /nfs/dbraw/zinc/12/18/14/927121814.db2.gz 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CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001437327899 928446055 /nfs/dbraw/zinc/44/60/55/928446055.db2.gz FCMOSNUXBHGZTI-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001437990844 928488068 /nfs/dbraw/zinc/48/80/68/928488068.db2.gz YXGSUAIPJHBDJV-SNVBAGLBSA-N 2 2 322.369 -1.073 20 0 DAADLP C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001437990844 928488074 /nfs/dbraw/zinc/48/80/74/928488074.db2.gz YXGSUAIPJHBDJV-SNVBAGLBSA-N 2 2 322.369 -1.073 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001438945459 928539909 /nfs/dbraw/zinc/53/99/09/928539909.db2.gz ITSIAECHYYFQSM-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001438945459 928539915 /nfs/dbraw/zinc/53/99/15/928539915.db2.gz ITSIAECHYYFQSM-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001438945459 928539927 /nfs/dbraw/zinc/53/99/27/928539927.db2.gz ITSIAECHYYFQSM-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001438945459 928539935 /nfs/dbraw/zinc/53/99/35/928539935.db2.gz ITSIAECHYYFQSM-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O)C1 ZINC001438945442 928540955 /nfs/dbraw/zinc/54/09/55/928540955.db2.gz ITSIAECHYYFQSM-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O)C1 ZINC001438945442 928540962 /nfs/dbraw/zinc/54/09/62/928540962.db2.gz ITSIAECHYYFQSM-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001438945442 928540974 /nfs/dbraw/zinc/54/09/74/928540974.db2.gz ITSIAECHYYFQSM-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001438945442 928540983 /nfs/dbraw/zinc/54/09/83/928540983.db2.gz ITSIAECHYYFQSM-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001438974670 928549302 /nfs/dbraw/zinc/54/93/02/928549302.db2.gz YARHOMFGOYCILD-NWDGAFQWSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001438974670 928549310 /nfs/dbraw/zinc/54/93/10/928549310.db2.gz YARHOMFGOYCILD-NWDGAFQWSA-N 2 2 311.386 -1.683 20 0 DAADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)co1 ZINC001438970330 928549966 /nfs/dbraw/zinc/54/99/66/928549966.db2.gz MVVUHASOHQWGRK-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)co1 ZINC001438970330 928549973 /nfs/dbraw/zinc/54/99/73/928549973.db2.gz MVVUHASOHQWGRK-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)nc1=O ZINC001439019171 928576495 /nfs/dbraw/zinc/57/64/95/928576495.db2.gz OHRYKLUHFYUEBD-SNVBAGLBSA-N 2 2 323.357 -2.038 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001439041997 928589274 /nfs/dbraw/zinc/58/92/74/928589274.db2.gz AVSUSEFDHLMGFS-PWSUYJOCSA-N 2 2 311.386 -1.494 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001439055654 928594541 /nfs/dbraw/zinc/59/45/41/928594541.db2.gz KSJLUYHTYFSFJC-STQMWFEESA-N 2 2 323.397 -1.134 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC)C1 ZINC001439407699 928618937 /nfs/dbraw/zinc/61/89/37/928618937.db2.gz NYHUZEXEMNVUOQ-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC)C1 ZINC001439407699 928618948 /nfs/dbraw/zinc/61/89/48/928618948.db2.gz NYHUZEXEMNVUOQ-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC)C1 ZINC001439407699 928618955 /nfs/dbraw/zinc/61/89/55/928618955.db2.gz NYHUZEXEMNVUOQ-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC)C1 ZINC001439407699 928618966 /nfs/dbraw/zinc/61/89/66/928618966.db2.gz NYHUZEXEMNVUOQ-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837456 928644985 /nfs/dbraw/zinc/64/49/85/928644985.db2.gz YJYUCEFEKZBMGG-IINYFYTJSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837456 928644989 /nfs/dbraw/zinc/64/49/89/928644989.db2.gz YJYUCEFEKZBMGG-IINYFYTJSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439837456 928644997 /nfs/dbraw/zinc/64/49/97/928644997.db2.gz YJYUCEFEKZBMGG-IINYFYTJSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439837456 928644999 /nfs/dbraw/zinc/64/49/99/928644999.db2.gz YJYUCEFEKZBMGG-IINYFYTJSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001440016086 928666368 /nfs/dbraw/zinc/66/63/68/928666368.db2.gz YVOLHENSPJNDII-CZUORRHYSA-N 2 2 324.425 -1.230 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001440016086 928666373 /nfs/dbraw/zinc/66/63/73/928666373.db2.gz YVOLHENSPJNDII-CZUORRHYSA-N 2 2 324.425 -1.230 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001440019945 928669951 /nfs/dbraw/zinc/66/99/51/928669951.db2.gz CVPYGLOPZJXGMQ-IUODEOHRSA-N 2 2 310.398 -1.476 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001440019945 928669960 /nfs/dbraw/zinc/66/99/60/928669960.db2.gz CVPYGLOPZJXGMQ-IUODEOHRSA-N 2 2 310.398 -1.476 20 0 DAADLP CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440030498 928674210 /nfs/dbraw/zinc/67/42/10/928674210.db2.gz HRBSCDFSDPLIPW-HNNXBMFYSA-N 2 2 323.397 -1.039 20 0 DAADLP CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440030498 928674215 /nfs/dbraw/zinc/67/42/15/928674215.db2.gz HRBSCDFSDPLIPW-HNNXBMFYSA-N 2 2 323.397 -1.039 20 0 DAADLP CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001440207526 928706862 /nfs/dbraw/zinc/70/68/62/928706862.db2.gz QKDWTDCWLGFYFU-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001440390657 928719744 /nfs/dbraw/zinc/71/97/44/928719744.db2.gz CZKHCICVMOMZEF-ZDUSSCGKSA-N 2 2 323.397 -1.084 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001440387918 928720226 /nfs/dbraw/zinc/72/02/26/928720226.db2.gz CRBTVSXRALAHBQ-CYBMUJFWSA-N 2 2 311.430 -1.358 20 0 DAADLP NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001440552573 928730585 /nfs/dbraw/zinc/73/05/85/928730585.db2.gz NZCMQRRYSKZTRJ-AWEZNQCLSA-N 2 2 309.370 -1.298 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001440594878 928733029 /nfs/dbraw/zinc/73/30/29/928733029.db2.gz DWGMTESQNYDELH-ONGXEEELSA-N 2 2 322.369 -1.406 20 0 DAADLP C[C@@H]([NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001440641790 928736802 /nfs/dbraw/zinc/73/68/02/928736802.db2.gz VJYSAHGKNKKXNB-LLVKDONJSA-N 2 2 309.370 -1.300 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)NC(N)=O ZINC001440903003 928748705 /nfs/dbraw/zinc/74/87/05/928748705.db2.gz JIBZAAVLLNTSBX-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)NC(N)=O ZINC001440903003 928748711 /nfs/dbraw/zinc/74/87/11/928748711.db2.gz JIBZAAVLLNTSBX-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440903003 928748718 /nfs/dbraw/zinc/74/87/18/928748718.db2.gz JIBZAAVLLNTSBX-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440903003 928748725 /nfs/dbraw/zinc/74/87/25/928748725.db2.gz JIBZAAVLLNTSBX-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001441048081 928758218 /nfs/dbraw/zinc/75/82/18/928758218.db2.gz INJLTSDYAIHYAF-NSHDSACASA-N 2 2 322.369 -1.033 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001441048081 928758229 /nfs/dbraw/zinc/75/82/29/928758229.db2.gz INJLTSDYAIHYAF-NSHDSACASA-N 2 2 322.369 -1.033 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001441070369 928766347 /nfs/dbraw/zinc/76/63/47/928766347.db2.gz ZPVKWUMADAEYKO-ZDUSSCGKSA-N 2 2 323.441 -1.310 20 0 DAADLP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001441324582 928781486 /nfs/dbraw/zinc/78/14/86/928781486.db2.gz BFAOKFOPCMYZCT-NWDGAFQWSA-N 2 2 309.370 -1.165 20 0 DAADLP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441698257 928819904 /nfs/dbraw/zinc/81/99/04/928819904.db2.gz NNRRYJYPXURFOV-CHWSQXEVSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441698257 928819912 /nfs/dbraw/zinc/81/99/12/928819912.db2.gz NNRRYJYPXURFOV-CHWSQXEVSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441698266 928821851 /nfs/dbraw/zinc/82/18/51/928821851.db2.gz NNRRYJYPXURFOV-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441698266 928821861 /nfs/dbraw/zinc/82/18/61/928821861.db2.gz NNRRYJYPXURFOV-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001441707322 928828877 /nfs/dbraw/zinc/82/88/77/928828877.db2.gz IGQWUMAYNSITDC-NSHDSACASA-N 2 2 310.402 -1.134 20 0 DAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001441740166 928848341 /nfs/dbraw/zinc/84/83/41/928848341.db2.gz PBKHHKNXDULYTH-OCCSQVGLSA-N 2 2 315.414 -1.311 20 0 DAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001441740166 928848349 /nfs/dbraw/zinc/84/83/49/928848349.db2.gz PBKHHKNXDULYTH-OCCSQVGLSA-N 2 2 315.414 -1.311 20 0 DAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001441740176 928849951 /nfs/dbraw/zinc/84/99/51/928849951.db2.gz PBKHHKNXDULYTH-TZMCWYRMSA-N 2 2 315.414 -1.311 20 0 DAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001441740176 928849961 /nfs/dbraw/zinc/84/99/61/928849961.db2.gz PBKHHKNXDULYTH-TZMCWYRMSA-N 2 2 315.414 -1.311 20 0 DAADLP Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001441769428 928858384 /nfs/dbraw/zinc/85/83/84/928858384.db2.gz RAXWVUCRNSHMSU-LBPRGKRZSA-N 2 2 321.385 -1.073 20 0 DAADLP Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001441769424 928858825 /nfs/dbraw/zinc/85/88/25/928858825.db2.gz RAXWVUCRNSHMSU-GFCCVEGCSA-N 2 2 321.385 -1.073 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441800260 928869847 /nfs/dbraw/zinc/86/98/47/928869847.db2.gz RXKPJGPABGQYGM-GFCCVEGCSA-N 2 2 300.403 -1.327 20 0 DAADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001441922998 928883445 /nfs/dbraw/zinc/88/34/45/928883445.db2.gz HNSJVDLXJSNMLY-RYUDHWBXSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001441922998 928883459 /nfs/dbraw/zinc/88/34/59/928883459.db2.gz HNSJVDLXJSNMLY-RYUDHWBXSA-N 2 2 312.414 -1.110 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001441986603 928900348 /nfs/dbraw/zinc/90/03/48/928900348.db2.gz BAEIXSAYLOCXFR-SECBINFHSA-N 2 2 313.358 -1.756 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001442004076 928904275 /nfs/dbraw/zinc/90/42/75/928904275.db2.gz SMTMPOICDIZGQV-QWRGUYRKSA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001442004043 928904718 /nfs/dbraw/zinc/90/47/18/928904718.db2.gz SMTMPOICDIZGQV-GHMZBOCLSA-N 2 2 309.370 -1.660 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001442004908 928905944 /nfs/dbraw/zinc/90/59/44/928905944.db2.gz XAKWELOGRQBNKK-GFCCVEGCSA-N 2 2 321.385 -1.071 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001442004073 928906127 /nfs/dbraw/zinc/90/61/27/928906127.db2.gz SMTMPOICDIZGQV-MNOVXSKESA-N 2 2 309.370 -1.660 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442371411 928943848 /nfs/dbraw/zinc/94/38/48/928943848.db2.gz GBTKKKFHSIWNKU-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442371411 928943864 /nfs/dbraw/zinc/94/38/64/928943864.db2.gz GBTKKKFHSIWNKU-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442371411 928943882 /nfs/dbraw/zinc/94/38/82/928943882.db2.gz GBTKKKFHSIWNKU-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442371411 928943895 /nfs/dbraw/zinc/94/38/95/928943895.db2.gz GBTKKKFHSIWNKU-ZJUUUORDSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442371405 928944200 /nfs/dbraw/zinc/94/42/00/928944200.db2.gz GBTKKKFHSIWNKU-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442371405 928944211 /nfs/dbraw/zinc/94/42/11/928944211.db2.gz GBTKKKFHSIWNKU-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442371405 928944219 /nfs/dbraw/zinc/94/42/19/928944219.db2.gz GBTKKKFHSIWNKU-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442371405 928944227 /nfs/dbraw/zinc/94/42/27/928944227.db2.gz GBTKKKFHSIWNKU-VHSXEESVSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001443652891 929019370 /nfs/dbraw/zinc/01/93/70/929019370.db2.gz OYEPBACENLFMPV-VXGBXAGGSA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001443652885 929019472 /nfs/dbraw/zinc/01/94/72/929019472.db2.gz OYEPBACENLFMPV-NWDGAFQWSA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001443652882 929019940 /nfs/dbraw/zinc/01/99/40/929019940.db2.gz OYEPBACENLFMPV-NEPJUHHUSA-N 2 2 312.414 -1.124 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744832 929026523 /nfs/dbraw/zinc/02/65/23/929026523.db2.gz VEAWNRRJMCXBRL-JQWIXIFHSA-N 2 2 313.402 -1.700 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744832 929026535 /nfs/dbraw/zinc/02/65/35/929026535.db2.gz VEAWNRRJMCXBRL-JQWIXIFHSA-N 2 2 313.402 -1.700 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181792 929078061 /nfs/dbraw/zinc/07/80/61/929078061.db2.gz AELOJQZEOQCFHF-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181792 929078068 /nfs/dbraw/zinc/07/80/68/929078068.db2.gz AELOJQZEOQCFHF-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181792 929078076 /nfs/dbraw/zinc/07/80/76/929078076.db2.gz AELOJQZEOQCFHF-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181792 929078085 /nfs/dbraw/zinc/07/80/85/929078085.db2.gz AELOJQZEOQCFHF-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001444228198 929087693 /nfs/dbraw/zinc/08/76/93/929087693.db2.gz PGPYDOMZJDKFCA-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001444228198 929087706 /nfs/dbraw/zinc/08/77/06/929087706.db2.gz PGPYDOMZJDKFCA-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001444228196 929088362 /nfs/dbraw/zinc/08/83/62/929088362.db2.gz PGPYDOMZJDKFCA-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001444228196 929088367 /nfs/dbraw/zinc/08/83/67/929088367.db2.gz PGPYDOMZJDKFCA-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C ZINC001444250704 929093624 /nfs/dbraw/zinc/09/36/24/929093624.db2.gz UTNNZDPHRFSIEB-LLVKDONJSA-N 2 2 311.386 -1.492 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250688 929093939 /nfs/dbraw/zinc/09/39/39/929093939.db2.gz UNEVVXVHRNGNEX-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001444250688 929093946 /nfs/dbraw/zinc/09/39/46/929093946.db2.gz UNEVVXVHRNGNEX-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[NH+]1CCC(OCC(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1 ZINC001444473626 929126418 /nfs/dbraw/zinc/12/64/18/929126418.db2.gz RVGWTCCQPRVWMR-AWEZNQCLSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC(OCC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001444473626 929126421 /nfs/dbraw/zinc/12/64/21/929126421.db2.gz RVGWTCCQPRVWMR-AWEZNQCLSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444675070 929144292 /nfs/dbraw/zinc/14/42/92/929144292.db2.gz BUHBOZQLNOIVGP-IUCAKERBSA-N 2 2 310.358 -1.028 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001445202291 929185579 /nfs/dbraw/zinc/18/55/79/929185579.db2.gz KHBFNDUSMFFHSQ-VXGBXAGGSA-N 2 2 323.397 -1.350 20 0 DAADLP CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001445261755 929204767 /nfs/dbraw/zinc/20/47/67/929204767.db2.gz VTRGITZMCINFPS-NWDGAFQWSA-N 2 2 309.370 -1.360 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001445276788 929210044 /nfs/dbraw/zinc/21/00/44/929210044.db2.gz NFCNVCDOFMCQTK-NWDGAFQWSA-N 2 2 309.370 -1.692 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001445277217 929213120 /nfs/dbraw/zinc/21/31/20/929213120.db2.gz HTYSMSIALVAXHD-NEPJUHHUSA-N 2 2 319.369 -1.271 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001445516684 929231505 /nfs/dbraw/zinc/23/15/05/929231505.db2.gz JXRNSVTYTBHQIR-CHWSQXEVSA-N 2 2 323.397 -1.398 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001445510190 929231560 /nfs/dbraw/zinc/23/15/60/929231560.db2.gz YVWMYNPMYDHMFL-CHWSQXEVSA-N 2 2 323.397 -1.020 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001445510190 929231573 /nfs/dbraw/zinc/23/15/73/929231573.db2.gz YVWMYNPMYDHMFL-CHWSQXEVSA-N 2 2 323.397 -1.020 20 0 DAADLP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CC[NH+]1CCOCC1 ZINC001445628588 929242949 /nfs/dbraw/zinc/24/29/49/929242949.db2.gz MAQWNBMCBLXXFW-NSHDSACASA-N 2 2 311.390 -1.473 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001445663077 929249219 /nfs/dbraw/zinc/24/92/19/929249219.db2.gz LAIGZPPUNYAPLI-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001445665802 929250526 /nfs/dbraw/zinc/25/05/26/929250526.db2.gz QEUSUJSDBXIXPK-NEPJUHHUSA-N 2 2 323.397 -1.020 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001445665802 929250538 /nfs/dbraw/zinc/25/05/38/929250538.db2.gz QEUSUJSDBXIXPK-NEPJUHHUSA-N 2 2 323.397 -1.020 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001446216950 929281739 /nfs/dbraw/zinc/28/17/39/929281739.db2.gz KKJKSPSHLBFRGT-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446781777 929320748 /nfs/dbraw/zinc/32/07/48/929320748.db2.gz YUXHBCKNHZHYTP-WFASDCNBSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446781777 929320754 /nfs/dbraw/zinc/32/07/54/929320754.db2.gz YUXHBCKNHZHYTP-WFASDCNBSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001446816507 929327245 /nfs/dbraw/zinc/32/72/45/929327245.db2.gz LWBFFLLADMQLGF-OAHLLOKOSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001446816507 929327256 /nfs/dbraw/zinc/32/72/56/929327256.db2.gz LWBFFLLADMQLGF-OAHLLOKOSA-N 2 2 321.381 -1.285 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001446974280 929356634 /nfs/dbraw/zinc/35/66/34/929356634.db2.gz QQBRGKCLDMXASD-ZJUUUORDSA-N 2 2 322.369 -1.169 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001447625267 929403490 /nfs/dbraw/zinc/40/34/90/929403490.db2.gz ULOGEGQEJXOTLO-GFCCVEGCSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001447730411 929410799 /nfs/dbraw/zinc/41/07/99/929410799.db2.gz PEMBGMHUHKOAKA-LBPRGKRZSA-N 2 2 312.414 -1.243 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001447730411 929410804 /nfs/dbraw/zinc/41/08/04/929410804.db2.gz PEMBGMHUHKOAKA-LBPRGKRZSA-N 2 2 312.414 -1.243 20 0 DAADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001448730394 929467276 /nfs/dbraw/zinc/46/72/76/929467276.db2.gz JZBMCTCEGHMKID-IUCAKERBSA-N 2 2 310.358 -1.028 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001448820180 929480393 /nfs/dbraw/zinc/48/03/93/929480393.db2.gz HHUANLPAZPODLB-KGYLQXTDSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001448820180 929480386 /nfs/dbraw/zinc/48/03/86/929480386.db2.gz HHUANLPAZPODLB-KGYLQXTDSA-N 2 2 310.402 -1.278 20 0 DAADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC001448821974 929480632 /nfs/dbraw/zinc/48/06/32/929480632.db2.gz ALRCQKMROSRSEL-KBPBESRZSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC001448821974 929480638 /nfs/dbraw/zinc/48/06/38/929480638.db2.gz ALRCQKMROSRSEL-KBPBESRZSA-N 2 2 323.397 -1.318 20 0 DAADLP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448829190 929484609 /nfs/dbraw/zinc/48/46/09/929484609.db2.gz JLVXWXFLXCPMRH-DGCLKSJQSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448829190 929484612 /nfs/dbraw/zinc/48/46/12/929484612.db2.gz JLVXWXFLXCPMRH-DGCLKSJQSA-N 2 2 311.386 -1.683 20 0 DAADLP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)CCC1 ZINC001448843971 929493322 /nfs/dbraw/zinc/49/33/22/929493322.db2.gz NZNYQWUMUAGFEF-NSHDSACASA-N 2 2 321.443 -1.418 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)c[nH+]1 ZINC001448856949 929496553 /nfs/dbraw/zinc/49/65/53/929496553.db2.gz BFUVPQJFKYAFMY-NWDGAFQWSA-N 2 2 323.397 -1.118 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)c[nH+]1 ZINC001448856925 929496731 /nfs/dbraw/zinc/49/67/31/929496731.db2.gz BFUVPQJFKYAFMY-NEPJUHHUSA-N 2 2 323.397 -1.118 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001448873780 929501659 /nfs/dbraw/zinc/50/16/59/929501659.db2.gz BSDBIUBSZFORAR-NSHDSACASA-N 2 2 311.386 -1.492 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001448876577 929504651 /nfs/dbraw/zinc/50/46/51/929504651.db2.gz FCXYVGKNODUCHZ-VXGBXAGGSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001448895788 929512172 /nfs/dbraw/zinc/51/21/72/929512172.db2.gz YUVFQWLJJHPXSW-GFCCVEGCSA-N 2 2 310.402 -1.276 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001448918422 929516211 /nfs/dbraw/zinc/51/62/11/929516211.db2.gz YKKMGHKAPAGNTA-LLVKDONJSA-N 2 2 311.386 -1.181 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001448918424 929516997 /nfs/dbraw/zinc/51/69/97/929516997.db2.gz YKKMGHKAPAGNTA-NSHDSACASA-N 2 2 311.386 -1.181 20 0 DAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001448940781 929520415 /nfs/dbraw/zinc/52/04/15/929520415.db2.gz DTWFTUDINDKAFV-NSHDSACASA-N 2 2 308.386 -1.224 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001448945684 929522774 /nfs/dbraw/zinc/52/27/74/929522774.db2.gz KCPMBHUBAJZCHG-LBPRGKRZSA-N 2 2 306.370 -1.037 20 0 DAADLP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448945883 929523714 /nfs/dbraw/zinc/52/37/14/929523714.db2.gz LGBKCFKJYVAJQW-LLVKDONJSA-N 2 2 321.385 -1.159 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001448952763 929525047 /nfs/dbraw/zinc/52/50/47/929525047.db2.gz OYRLKOBCHHWNHO-QWRGUYRKSA-N 2 2 313.406 -1.322 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C ZINC001448952763 929525049 /nfs/dbraw/zinc/52/50/49/929525049.db2.gz OYRLKOBCHHWNHO-QWRGUYRKSA-N 2 2 313.406 -1.322 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001448950156 929525939 /nfs/dbraw/zinc/52/59/39/929525939.db2.gz UBBKPWIPBXZRDD-ZYHUDNBSSA-N 2 2 309.370 -1.692 20 0 DAADLP C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001448984993 929527505 /nfs/dbraw/zinc/52/75/05/929527505.db2.gz OYVMIUHRLWFOIA-RKDXNWHRSA-N 2 2 308.342 -1.274 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001449140977 929551387 /nfs/dbraw/zinc/55/13/87/929551387.db2.gz ZIZAQORNTGDPNR-ZYHUDNBSSA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449167171 929558354 /nfs/dbraw/zinc/55/83/54/929558354.db2.gz SJFXXIMTOITQTC-NSHDSACASA-N 2 2 307.358 -1.310 20 0 DAADLP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001450315407 929620589 /nfs/dbraw/zinc/62/05/89/929620589.db2.gz ZXHKPBRVLPRBIA-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001450315407 929620597 /nfs/dbraw/zinc/62/05/97/929620597.db2.gz ZXHKPBRVLPRBIA-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP CCC[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001450315407 929620613 /nfs/dbraw/zinc/62/06/13/929620613.db2.gz ZXHKPBRVLPRBIA-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001530389346 929842397 /nfs/dbraw/zinc/84/23/97/929842397.db2.gz MKIMXIAIDCFBLJ-CYBMUJFWSA-N 2 2 312.414 -1.016 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001530389346 929842403 /nfs/dbraw/zinc/84/24/03/929842403.db2.gz MKIMXIAIDCFBLJ-CYBMUJFWSA-N 2 2 312.414 -1.016 20 0 DAADLP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001530389346 929842410 /nfs/dbraw/zinc/84/24/10/929842410.db2.gz MKIMXIAIDCFBLJ-CYBMUJFWSA-N 2 2 312.414 -1.016 20 0 DAADLP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001530389346 929842413 /nfs/dbraw/zinc/84/24/13/929842413.db2.gz MKIMXIAIDCFBLJ-CYBMUJFWSA-N 2 2 312.414 -1.016 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265351 929936927 /nfs/dbraw/zinc/93/69/27/929936927.db2.gz BWHBZCKXKVEBHX-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265351 929936935 /nfs/dbraw/zinc/93/69/35/929936935.db2.gz BWHBZCKXKVEBHX-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735574 930042467 /nfs/dbraw/zinc/04/24/67/930042467.db2.gz LOVFEXCFZZCAQC-KGLIPLIRSA-N 2 2 323.441 -1.393 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735574 930042479 /nfs/dbraw/zinc/04/24/79/930042479.db2.gz LOVFEXCFZZCAQC-KGLIPLIRSA-N 2 2 323.441 -1.393 20 0 DAADLP Cn1cnc([C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@@H]2[NH3+])c1 ZINC001549735978 930058448 /nfs/dbraw/zinc/05/84/48/930058448.db2.gz NYERQQXXQQTDPI-MNOVXSKESA-N 2 2 306.370 -1.895 20 0 DAADLP C[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC001549733005 930059536 /nfs/dbraw/zinc/05/95/36/930059536.db2.gz FSVXMSFVXXZTBL-IJLUTSLNSA-N 2 2 320.397 -1.507 20 0 DAADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3COCC[NH2+]3)CC2)C1=O ZINC001550093175 930062941 /nfs/dbraw/zinc/06/29/41/930062941.db2.gz ZAFGGSWYNWZFSV-QWHCGFSZSA-N 2 2 310.398 -1.214 20 0 DAADLP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3COCC[NH2+]3)CC2)C1=O ZINC001550093176 930063524 /nfs/dbraw/zinc/06/35/24/930063524.db2.gz ZAFGGSWYNWZFSV-STQMWFEESA-N 2 2 310.398 -1.214 20 0 DAADLP Cc1c(C(=O)N2CC[NH+](CCO)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436693 930072577 /nfs/dbraw/zinc/07/25/77/930072577.db2.gz FEKINYNPEWAPSV-GFCCVEGCSA-N 2 2 308.386 -1.129 20 0 DAADLP Cc1c(C(=O)N2CC[NH+](CCO)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436697 930073538 /nfs/dbraw/zinc/07/35/38/930073538.db2.gz FEKINYNPEWAPSV-LBPRGKRZSA-N 2 2 308.386 -1.129 20 0 DAADLP CC1(C)NC(=O)N(CCC[N@H+](CC[NH3+])C[C@H](O)CO)C1=O ZINC000662289901 545640642 /nfs/dbraw/zinc/64/06/42/545640642.db2.gz YQMVOVBPCPQSJT-JTQLQIEISA-N 2 2 302.375 -1.679 20 0 DAADLP CC1(C)NC(=O)N(CCC[N@@H+](CC[NH3+])C[C@H](O)CO)C1=O ZINC000662289901 545640648 /nfs/dbraw/zinc/64/06/48/545640648.db2.gz YQMVOVBPCPQSJT-JTQLQIEISA-N 2 2 302.375 -1.679 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784973 781924425 /nfs/dbraw/zinc/92/44/25/781924425.db2.gz MOEHVVNKBKQUAT-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784973 781924431 /nfs/dbraw/zinc/92/44/31/781924431.db2.gz MOEHVVNKBKQUAT-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784973 781924436 /nfs/dbraw/zinc/92/44/36/781924436.db2.gz MOEHVVNKBKQUAT-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784973 781924444 /nfs/dbraw/zinc/92/44/44/781924444.db2.gz MOEHVVNKBKQUAT-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636342 282454597 /nfs/dbraw/zinc/45/45/97/282454597.db2.gz OSSMEXFWBXTASY-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430617440 545697644 /nfs/dbraw/zinc/69/76/44/545697644.db2.gz MQOBKWZFYYJTLU-SNVBAGLBSA-N 2 2 311.386 -1.273 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430617440 545697651 /nfs/dbraw/zinc/69/76/51/545697651.db2.gz MQOBKWZFYYJTLU-SNVBAGLBSA-N 2 2 311.386 -1.273 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000343927062 545709541 /nfs/dbraw/zinc/70/95/41/545709541.db2.gz UWRVADVSIJGDMH-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000343927062 545709548 /nfs/dbraw/zinc/70/95/48/545709548.db2.gz UWRVADVSIJGDMH-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000347174795 545715381 /nfs/dbraw/zinc/71/53/81/545715381.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 2 2 301.435 -1.154 20 0 DAADLP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000347174795 545715387 /nfs/dbraw/zinc/71/53/87/545715387.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 2 2 301.435 -1.154 20 0 DAADLP CC[NH+](CCO)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000347174795 545715391 /nfs/dbraw/zinc/71/53/91/545715391.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 2 2 301.435 -1.154 20 0 DAADLP CC[NH+](CCO)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000347174795 545715398 /nfs/dbraw/zinc/71/53/98/545715398.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 2 2 301.435 -1.154 20 0 DAADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000358163881 545742294 /nfs/dbraw/zinc/74/22/94/545742294.db2.gz HOZQHXHEFDAEBF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000358163881 545742298 /nfs/dbraw/zinc/74/22/98/545742298.db2.gz HOZQHXHEFDAEBF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000358163881 545742301 /nfs/dbraw/zinc/74/23/01/545742301.db2.gz HOZQHXHEFDAEBF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000358163881 545742305 /nfs/dbraw/zinc/74/23/05/545742305.db2.gz HOZQHXHEFDAEBF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014117 781939336 /nfs/dbraw/zinc/93/93/36/781939336.db2.gz PXFUXVWBBHMZEU-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014117 781939345 /nfs/dbraw/zinc/93/93/45/781939345.db2.gz PXFUXVWBBHMZEU-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192014117 781939352 /nfs/dbraw/zinc/93/93/52/781939352.db2.gz PXFUXVWBBHMZEU-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192014117 781939362 /nfs/dbraw/zinc/93/93/62/781939362.db2.gz PXFUXVWBBHMZEU-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001192012192 781938663 /nfs/dbraw/zinc/93/86/63/781938663.db2.gz IPIPWECQRBCPLY-JHJVBQTASA-N 2 2 317.386 -2.513 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)C1 ZINC001192012192 781938674 /nfs/dbraw/zinc/93/86/74/781938674.db2.gz IPIPWECQRBCPLY-JHJVBQTASA-N 2 2 317.386 -2.513 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001192012192 781938687 /nfs/dbraw/zinc/93/86/87/781938687.db2.gz 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373215877 /nfs/dbraw/zinc/21/58/77/373215877.db2.gz CMAUPOGTUCMLIB-CHWSQXEVSA-N 2 2 309.414 -1.687 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH2+]CC1=O ZINC000638423892 373215890 /nfs/dbraw/zinc/21/58/90/373215890.db2.gz CMAUPOGTUCMLIB-CHWSQXEVSA-N 2 2 309.414 -1.687 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638444909 373219874 /nfs/dbraw/zinc/21/98/74/373219874.db2.gz BZYUAYWANJOLPK-DZGCQCFKSA-N 2 2 315.414 -1.107 20 0 DAADLP Cn1cc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)cn1 ZINC000637863397 373186632 /nfs/dbraw/zinc/18/66/32/373186632.db2.gz BACPXLIVUDPULS-VXGBXAGGSA-N 2 2 320.397 -1.126 20 0 DAADLP Cn1cc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)cn1 ZINC000637863397 373186642 /nfs/dbraw/zinc/18/66/42/373186642.db2.gz BACPXLIVUDPULS-VXGBXAGGSA-N 2 2 320.397 -1.126 20 0 DAADLP Cn1cc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)cn1 ZINC000637863395 373186781 /nfs/dbraw/zinc/18/67/81/373186781.db2.gz BACPXLIVUDPULS-RYUDHWBXSA-N 2 2 320.397 -1.126 20 0 DAADLP Cn1cc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)cn1 ZINC000637863395 373186791 /nfs/dbraw/zinc/18/67/91/373186791.db2.gz BACPXLIVUDPULS-RYUDHWBXSA-N 2 2 320.397 -1.126 20 0 DAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000637863446 373188354 /nfs/dbraw/zinc/18/83/54/373188354.db2.gz CFSYDVQTJMIGDP-RYUDHWBXSA-N 2 2 318.443 -1.241 20 0 DAADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000637863446 373188360 /nfs/dbraw/zinc/18/83/60/373188360.db2.gz CFSYDVQTJMIGDP-RYUDHWBXSA-N 2 2 318.443 -1.241 20 0 DAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000638503005 373225306 /nfs/dbraw/zinc/22/53/06/373225306.db2.gz YOFOWZAAVIKWJG-GFCCVEGCSA-N 2 2 318.443 -1.098 20 0 DAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638055163 373202843 /nfs/dbraw/zinc/20/28/43/373202843.db2.gz HDXMELRFFZHGTG-CYBMUJFWSA-N 2 2 323.441 -1.297 20 0 DAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000283262617 373205741 /nfs/dbraw/zinc/20/57/41/373205741.db2.gz FFZVLWIWUHFDQW-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000283262617 373205753 /nfs/dbraw/zinc/20/57/53/373205753.db2.gz FFZVLWIWUHFDQW-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000283262619 373206337 /nfs/dbraw/zinc/20/63/37/373206337.db2.gz FFZVLWIWUHFDQW-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000283262619 373206344 /nfs/dbraw/zinc/20/63/44/373206344.db2.gz FFZVLWIWUHFDQW-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP COCC[N@@H+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C[C@@H]1C ZINC000638105253 373208463 /nfs/dbraw/zinc/20/84/63/373208463.db2.gz GAWSKXZCQKZMOQ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP COCC[N@H+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C[C@@H]1C ZINC000638105253 373208470 /nfs/dbraw/zinc/20/84/70/373208470.db2.gz GAWSKXZCQKZMOQ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP COCC[N@@H+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C[C@H]1C ZINC000638105250 373208954 /nfs/dbraw/zinc/20/89/54/373208954.db2.gz GAWSKXZCQKZMOQ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP COCC[N@H+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C[C@H]1C ZINC000638105250 373208962 /nfs/dbraw/zinc/20/89/62/373208962.db2.gz GAWSKXZCQKZMOQ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH2+]CC1=O ZINC000638102469 373209355 /nfs/dbraw/zinc/20/93/55/373209355.db2.gz HXXIWHGPNGJRKM-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP CCN(CC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638519614 373227335 /nfs/dbraw/zinc/22/73/35/373227335.db2.gz XZNLGKIXXVWLFG-ZDUSSCGKSA-N 2 2 312.414 -1.026 20 0 DAADLP CNS(=O)(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764086 373277978 /nfs/dbraw/zinc/27/79/78/373277978.db2.gz IJNWGIHQOOOXBP-UHFFFAOYSA-N 2 2 309.436 -1.960 20 0 DAADLP CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764086 373277984 /nfs/dbraw/zinc/27/79/84/373277984.db2.gz IJNWGIHQOOOXBP-UHFFFAOYSA-N 2 2 309.436 -1.960 20 0 DAADLP Nc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc(N)[nH+]1 ZINC000623884865 373244174 /nfs/dbraw/zinc/24/41/74/373244174.db2.gz KYYQWSMWSWBVLR-GFCCVEGCSA-N 2 2 311.415 -1.262 20 0 DAADLP C[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717163 373259508 /nfs/dbraw/zinc/25/95/08/373259508.db2.gz VFYMXRVDUJVKGI-CHWSQXEVSA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717163 373259513 /nfs/dbraw/zinc/25/95/13/373259513.db2.gz VFYMXRVDUJVKGI-CHWSQXEVSA-N 2 2 312.414 -1.029 20 0 DAADLP O[C@H]1C[NH+](CC(C[NH+]2C[C@H](O)[C@@H](O)C2)c2ccccc2)C[C@@H]1O ZINC000639889994 373298117 /nfs/dbraw/zinc/29/81/17/373298117.db2.gz MIESHFGAYFVRAC-QAETUUGQSA-N 2 2 322.405 -1.155 20 0 DAADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000639947994 373307499 /nfs/dbraw/zinc/30/74/99/373307499.db2.gz YWBBZGGKSMPINS-HUUCEWRRSA-N 2 2 308.382 -1.255 20 0 DAADLP COCCOC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051071 373310029 /nfs/dbraw/zinc/31/00/29/373310029.db2.gz FSLTWWORENNNDZ-ZDUSSCGKSA-N 2 2 303.403 -1.284 20 0 DAADLP COCCOC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051071 373310036 /nfs/dbraw/zinc/31/00/36/373310036.db2.gz FSLTWWORENNNDZ-ZDUSSCGKSA-N 2 2 303.403 -1.284 20 0 DAADLP COCCOC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051070 373310352 /nfs/dbraw/zinc/31/03/52/373310352.db2.gz FSLTWWORENNNDZ-CYBMUJFWSA-N 2 2 303.403 -1.284 20 0 DAADLP COCCOC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051070 373310354 /nfs/dbraw/zinc/31/03/54/373310354.db2.gz FSLTWWORENNNDZ-CYBMUJFWSA-N 2 2 303.403 -1.284 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643481135 373321036 /nfs/dbraw/zinc/32/10/36/373321036.db2.gz UEXYETIDELVDPS-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643481134 373321064 /nfs/dbraw/zinc/32/10/64/373321064.db2.gz UEXYETIDELVDPS-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP CC(C)Nc1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(NCCO)[nH+]1 ZINC000420253379 373323692 /nfs/dbraw/zinc/32/36/92/373323692.db2.gz DLRNCFSPSYSABA-NEPJUHHUSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420253379 373323699 /nfs/dbraw/zinc/32/36/99/373323699.db2.gz DLRNCFSPSYSABA-NEPJUHHUSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000420253379 373323705 /nfs/dbraw/zinc/32/37/05/373323705.db2.gz DLRNCFSPSYSABA-NEPJUHHUSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000419997028 373323809 /nfs/dbraw/zinc/32/38/09/373323809.db2.gz LHOWNOKCCFYMNM-VXGBXAGGSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000419997028 373323818 /nfs/dbraw/zinc/32/38/18/373323818.db2.gz LHOWNOKCCFYMNM-VXGBXAGGSA-N 2 2 300.403 -1.077 20 0 DAADLP CCC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000419911939 373324151 /nfs/dbraw/zinc/32/41/51/373324151.db2.gz UURVEXMCFRWUQE-GFCCVEGCSA-N 2 2 300.403 -1.061 20 0 DAADLP CCC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000419911939 373324154 /nfs/dbraw/zinc/32/41/54/373324154.db2.gz UURVEXMCFRWUQE-GFCCVEGCSA-N 2 2 300.403 -1.061 20 0 DAADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000643483882 373326855 /nfs/dbraw/zinc/32/68/55/373326855.db2.gz MZMOUBHSZJBYRU-YPMHNXCESA-N 2 2 310.398 -1.132 20 0 DAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000643483881 373326891 /nfs/dbraw/zinc/32/68/91/373326891.db2.gz MZMOUBHSZJBYRU-WCQYABFASA-N 2 2 310.398 -1.132 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000617768156 373281678 /nfs/dbraw/zinc/28/16/78/373281678.db2.gz RGXQFRQDARYHNG-UHFFFAOYSA-N 2 2 311.386 -1.051 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000617768156 373281686 /nfs/dbraw/zinc/28/16/86/373281686.db2.gz RGXQFRQDARYHNG-UHFFFAOYSA-N 2 2 311.386 -1.051 20 0 DAADLP Cn1c(=O)cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)n(C)c1=O ZINC000639762185 373284186 /nfs/dbraw/zinc/28/41/86/373284186.db2.gz KNFHNOPPLMJIIM-HNNXBMFYSA-N 2 2 310.398 -1.028 20 0 DAADLP Cn1c(=O)cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)n(C)c1=O ZINC000639762185 373284192 /nfs/dbraw/zinc/28/41/92/373284192.db2.gz KNFHNOPPLMJIIM-HNNXBMFYSA-N 2 2 310.398 -1.028 20 0 DAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCN2CCNC(=O)C2)C[C@@H](C)O1 ZINC000572276769 373330972 /nfs/dbraw/zinc/33/09/72/373330972.db2.gz GQQVYBJAXCTEBR-MGPQQGTHSA-N 2 2 314.430 -1.522 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCN2CCNC(=O)C2)C[C@H](C)O1 ZINC000572276767 373331144 /nfs/dbraw/zinc/33/11/44/373331144.db2.gz GQQVYBJAXCTEBR-HZSPNIEDSA-N 2 2 314.430 -1.522 20 0 DAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCN2CCNC(=O)C2)C[C@H](C)O1 ZINC000572276767 373331151 /nfs/dbraw/zinc/33/11/51/373331151.db2.gz GQQVYBJAXCTEBR-HZSPNIEDSA-N 2 2 314.430 -1.522 20 0 DAADLP CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000320510268 373332342 /nfs/dbraw/zinc/33/23/42/373332342.db2.gz COQQGHSUPBJOAK-SNVBAGLBSA-N 2 2 322.417 -1.193 20 0 DAADLP CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000320510268 373332351 /nfs/dbraw/zinc/33/23/51/373332351.db2.gz COQQGHSUPBJOAK-SNVBAGLBSA-N 2 2 322.417 -1.193 20 0 DAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[NH3+])CC2)CC1 ZINC000262213812 373334178 /nfs/dbraw/zinc/33/41/78/373334178.db2.gz YLGSRNMRFIRFAL-UHFFFAOYSA-N 2 2 305.404 -2.419 20 0 DAADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000611972955 373340686 /nfs/dbraw/zinc/34/06/86/373340686.db2.gz DQTQPMUCBAVBLS-NSHDSACASA-N 2 2 311.386 -1.273 20 0 DAADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423594291 373349128 /nfs/dbraw/zinc/34/91/28/373349128.db2.gz NSITZVASVLLTCN-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000629816173 373410712 /nfs/dbraw/zinc/41/07/12/373410712.db2.gz ILVVKQXDGUJLMN-UHFFFAOYSA-N 2 2 309.370 -1.080 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629820053 373413748 /nfs/dbraw/zinc/41/37/48/373413748.db2.gz UUFWKEAXOBYQRO-LBPRGKRZSA-N 2 2 316.402 -2.055 20 0 DAADLP C[NH+]1CCN(Cc2cn(C[C@@H](O)C[NH+]3CCOCC3)nn2)CC1 ZINC000641207234 373419016 /nfs/dbraw/zinc/41/90/16/373419016.db2.gz HJMZEWVURCYIOX-HNNXBMFYSA-N 2 2 324.429 -1.281 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000628917310 373380371 /nfs/dbraw/zinc/38/03/71/373380371.db2.gz MMQSNNUNTWUOBR-CHWSQXEVSA-N 2 2 312.414 -1.157 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000628917310 373380378 /nfs/dbraw/zinc/38/03/78/373380378.db2.gz MMQSNNUNTWUOBR-CHWSQXEVSA-N 2 2 312.414 -1.157 20 0 DAADLP COC[C@@]1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000629606319 373399820 /nfs/dbraw/zinc/39/98/20/373399820.db2.gz FOLQMAPXYAHCQI-UKRRQHHQSA-N 2 2 315.414 -1.236 20 0 DAADLP CCN(C(=O)C[N@H+](C)CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000629576600 373399864 /nfs/dbraw/zinc/39/98/64/373399864.db2.gz VHLDVUYQUNJWBZ-GFCCVEGCSA-N 2 2 321.443 -1.071 20 0 DAADLP CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000629576600 373399870 /nfs/dbraw/zinc/39/98/70/373399870.db2.gz VHLDVUYQUNJWBZ-GFCCVEGCSA-N 2 2 321.443 -1.071 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000629607416 373400448 /nfs/dbraw/zinc/40/04/48/373400448.db2.gz SZQCAPZKUQGNAN-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000629607418 373400535 /nfs/dbraw/zinc/40/05/35/373400535.db2.gz SZQCAPZKUQGNAN-QWHCGFSZSA-N 2 2 301.387 -1.484 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000629607129 373401180 /nfs/dbraw/zinc/40/11/80/373401180.db2.gz PRZOVZXXHDDXJV-GFCCVEGCSA-N 2 2 314.386 -2.430 20 0 DAADLP CCN(C(=O)C[N@H+](C)CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000629576601 373401279 /nfs/dbraw/zinc/40/12/79/373401279.db2.gz VHLDVUYQUNJWBZ-LBPRGKRZSA-N 2 2 321.443 -1.071 20 0 DAADLP CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000629576601 373401288 /nfs/dbraw/zinc/40/12/88/373401288.db2.gz VHLDVUYQUNJWBZ-LBPRGKRZSA-N 2 2 321.443 -1.071 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000629607064 373401617 /nfs/dbraw/zinc/40/16/17/373401617.db2.gz KEEINDKGFDVOOO-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000631921384 373438900 /nfs/dbraw/zinc/43/89/00/373438900.db2.gz FGVVYQZPQUJRAF-CHWSQXEVSA-N 2 2 321.443 -1.138 20 0 DAADLP C[NH2+]CCOCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000627175495 373456217 /nfs/dbraw/zinc/45/62/17/373456217.db2.gz TUZCEYNVERXSQT-CYBMUJFWSA-N 2 2 318.418 -1.443 20 0 DAADLP CCO[C@H](CC[NH+](C)C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000236935508 373460233 /nfs/dbraw/zinc/46/02/33/373460233.db2.gz FPZLODWILLCQRF-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000565238088 373521992 /nfs/dbraw/zinc/52/19/92/373521992.db2.gz FMFUVVYNFSHBRI-IHRRRGAJSA-N 3 2 323.441 -1.217 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000565238088 373521997 /nfs/dbraw/zinc/52/19/97/373521997.db2.gz FMFUVVYNFSHBRI-IHRRRGAJSA-N 3 2 323.441 -1.217 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165618 373522294 /nfs/dbraw/zinc/52/22/94/373522294.db2.gz PJPGADNHOMMMOW-RYUDHWBXSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165618 373522300 /nfs/dbraw/zinc/52/23/00/373522300.db2.gz PJPGADNHOMMMOW-RYUDHWBXSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165618 373522305 /nfs/dbraw/zinc/52/23/05/373522305.db2.gz PJPGADNHOMMMOW-RYUDHWBXSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165618 373522309 /nfs/dbraw/zinc/52/23/09/373522309.db2.gz PJPGADNHOMMMOW-RYUDHWBXSA-N 2 2 309.432 -1.322 20 0 DAADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000566068113 373525042 /nfs/dbraw/zinc/52/50/42/373525042.db2.gz SSLQCUCINFGNAG-DOMZBBRYSA-N 2 2 310.398 -1.227 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566926605 373530755 /nfs/dbraw/zinc/53/07/55/373530755.db2.gz NWAYPRCQRNFKJA-WDEREUQCSA-N 2 2 304.416 -1.488 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566926605 373530766 /nfs/dbraw/zinc/53/07/66/373530766.db2.gz NWAYPRCQRNFKJA-WDEREUQCSA-N 2 2 304.416 -1.488 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566926603 373531441 /nfs/dbraw/zinc/53/14/41/373531441.db2.gz NWAYPRCQRNFKJA-QWRGUYRKSA-N 2 2 304.416 -1.488 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566926603 373531447 /nfs/dbraw/zinc/53/14/47/373531447.db2.gz NWAYPRCQRNFKJA-QWRGUYRKSA-N 2 2 304.416 -1.488 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578884363 373586592 /nfs/dbraw/zinc/58/65/92/373586592.db2.gz LMIKOTFGWYIIKS-KGLIPLIRSA-N 3 2 323.441 -1.169 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578884363 373586599 /nfs/dbraw/zinc/58/65/99/373586599.db2.gz LMIKOTFGWYIIKS-KGLIPLIRSA-N 3 2 323.441 -1.169 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578884365 373586873 /nfs/dbraw/zinc/58/68/73/373586873.db2.gz LMIKOTFGWYIIKS-ZIAGYGMSSA-N 3 2 323.441 -1.169 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000578884365 373586880 /nfs/dbraw/zinc/58/68/80/373586880.db2.gz LMIKOTFGWYIIKS-ZIAGYGMSSA-N 3 2 323.441 -1.169 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000579236398 373588969 /nfs/dbraw/zinc/58/89/69/373588969.db2.gz PPPXXOXIJFPCSO-QWRGUYRKSA-N 2 2 312.370 -1.700 20 0 DAADLP CC(C)NC(=O)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000579475397 373591755 /nfs/dbraw/zinc/59/17/55/373591755.db2.gz OTPLOVHYUXFIKK-UHFFFAOYSA-N 2 2 311.430 -1.440 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000568365193 373546433 /nfs/dbraw/zinc/54/64/33/373546433.db2.gz KNTIWPUHTVUVPI-ZDUSSCGKSA-N 2 2 324.425 -1.182 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742581 373555415 /nfs/dbraw/zinc/55/54/15/373555415.db2.gz ZBUPNYMVEHLLTF-CHWSQXEVSA-N 2 2 323.459 -1.074 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742581 373555416 /nfs/dbraw/zinc/55/54/16/373555416.db2.gz ZBUPNYMVEHLLTF-CHWSQXEVSA-N 2 2 323.459 -1.074 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000573742581 373555417 /nfs/dbraw/zinc/55/54/17/373555417.db2.gz ZBUPNYMVEHLLTF-CHWSQXEVSA-N 2 2 323.459 -1.074 20 0 DAADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573507338 373556088 /nfs/dbraw/zinc/55/60/88/373556088.db2.gz YOXFWHXNQLZRAB-QWRGUYRKSA-N 2 2 311.386 -1.144 20 0 DAADLP CCCCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573507338 373556094 /nfs/dbraw/zinc/55/60/94/373556094.db2.gz YOXFWHXNQLZRAB-QWRGUYRKSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000573815286 373556629 /nfs/dbraw/zinc/55/66/29/373556629.db2.gz NYBZVPVSZDQWIN-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762898 373563474 /nfs/dbraw/zinc/56/34/74/373563474.db2.gz KBRRDHVPLUPFLU-RYUDHWBXSA-N 2 2 316.365 -1.260 20 0 DAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762898 373563479 /nfs/dbraw/zinc/56/34/79/373563479.db2.gz KBRRDHVPLUPFLU-RYUDHWBXSA-N 2 2 316.365 -1.260 20 0 DAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762897 373565393 /nfs/dbraw/zinc/56/53/93/373565393.db2.gz KBRRDHVPLUPFLU-NWDGAFQWSA-N 2 2 316.365 -1.260 20 0 DAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCn3nc4ccccn4c3=O)CCN2C1=O ZINC000575762897 373565398 /nfs/dbraw/zinc/56/53/98/373565398.db2.gz KBRRDHVPLUPFLU-NWDGAFQWSA-N 2 2 316.365 -1.260 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999403 373568159 /nfs/dbraw/zinc/56/81/59/373568159.db2.gz GKFDUYQCZQAOAG-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999403 373568165 /nfs/dbraw/zinc/56/81/65/373568165.db2.gz GKFDUYQCZQAOAG-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999403 373568169 /nfs/dbraw/zinc/56/81/69/373568169.db2.gz GKFDUYQCZQAOAG-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000575812433 373568311 /nfs/dbraw/zinc/56/83/11/373568311.db2.gz LXMDBYCRSPTYIO-NWDGAFQWSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000575812433 373568317 /nfs/dbraw/zinc/56/83/17/373568317.db2.gz LXMDBYCRSPTYIO-NWDGAFQWSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000575812433 373568322 /nfs/dbraw/zinc/56/83/22/373568322.db2.gz LXMDBYCRSPTYIO-NWDGAFQWSA-N 2 2 309.432 -1.322 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576957661 373570380 /nfs/dbraw/zinc/57/03/80/373570380.db2.gz QCUPRKIHCCQIQX-MIMYLULJSA-N 2 2 309.370 -1.393 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576957661 373570385 /nfs/dbraw/zinc/57/03/85/373570385.db2.gz QCUPRKIHCCQIQX-MIMYLULJSA-N 2 2 309.370 -1.393 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000576753498 373570690 /nfs/dbraw/zinc/57/06/90/373570690.db2.gz VUHXXIGHPHYGFI-QWRGUYRKSA-N 2 2 315.370 -1.122 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000576753498 373570699 /nfs/dbraw/zinc/57/06/99/373570699.db2.gz VUHXXIGHPHYGFI-QWRGUYRKSA-N 2 2 315.370 -1.122 20 0 DAADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000577344894 373573251 /nfs/dbraw/zinc/57/32/51/373573251.db2.gz QXACEZBLAWPPIE-VEGXAWMVSA-N 2 2 312.414 -1.424 20 0 DAADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000577111865 373574747 /nfs/dbraw/zinc/57/47/47/373574747.db2.gz UNFGCUONVJZICC-QMMMGPOBSA-N 2 2 309.370 -1.292 20 0 DAADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC000577607288 373577559 /nfs/dbraw/zinc/57/75/59/373577559.db2.gz HMKFBMRJQVTZHJ-CQSZACIVSA-N 2 2 323.441 -1.343 20 0 DAADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000627351856 373655399 /nfs/dbraw/zinc/65/53/99/373655399.db2.gz FGACKIWJJARJBY-LBPRGKRZSA-N 2 2 321.381 -1.132 20 0 DAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000581897726 373604427 /nfs/dbraw/zinc/60/44/27/373604427.db2.gz OUESYFZWVFGLMP-UHFFFAOYSA-N 3 2 324.429 -1.049 20 0 DAADLP C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632214059 373709196 /nfs/dbraw/zinc/70/91/96/373709196.db2.gz QMJDWJRYJUTANF-VXGBXAGGSA-N 2 2 307.416 -1.697 20 0 DAADLP C[N@H+]1CC[C@@](O)(CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632214059 373709202 /nfs/dbraw/zinc/70/92/02/373709202.db2.gz QMJDWJRYJUTANF-VXGBXAGGSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@@](O)(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632214059 373709207 /nfs/dbraw/zinc/70/92/07/373709207.db2.gz QMJDWJRYJUTANF-VXGBXAGGSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@@](O)(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632214059 373709215 /nfs/dbraw/zinc/70/92/15/373709215.db2.gz QMJDWJRYJUTANF-VXGBXAGGSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CCN(CCNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632253798 373712228 /nfs/dbraw/zinc/71/22/28/373712228.db2.gz BQNNSNWDNMJCEJ-CYBMUJFWSA-N 2 2 320.459 -1.516 20 0 DAADLP C[NH+]1CCN(CCNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632253798 373712236 /nfs/dbraw/zinc/71/22/36/373712236.db2.gz BQNNSNWDNMJCEJ-CYBMUJFWSA-N 2 2 320.459 -1.516 20 0 DAADLP C[NH+](C)[C@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000632350424 373716350 /nfs/dbraw/zinc/71/63/50/373716350.db2.gz LDAOHNFANUXEPJ-WOPDTQHZSA-N 2 2 307.416 -1.747 20 0 DAADLP C[NH+](C)[C@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000632350424 373716355 /nfs/dbraw/zinc/71/63/55/373716355.db2.gz LDAOHNFANUXEPJ-WOPDTQHZSA-N 2 2 307.416 -1.747 20 0 DAADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623927412 373662180 /nfs/dbraw/zinc/66/21/80/373662180.db2.gz GWRLYBCOVQXSHU-VIFPVBQESA-N 2 2 308.390 -1.527 20 0 DAADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623927412 373662184 /nfs/dbraw/zinc/66/21/84/373662184.db2.gz GWRLYBCOVQXSHU-VIFPVBQESA-N 2 2 308.390 -1.527 20 0 DAADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624031125 373664786 /nfs/dbraw/zinc/66/47/86/373664786.db2.gz WAQCHBCXVJMLIO-JTQLQIEISA-N 2 2 320.401 -1.170 20 0 DAADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000624135935 373664876 /nfs/dbraw/zinc/66/48/76/373664876.db2.gz UBGSLDFYXLMSPR-IUCAKERBSA-N 2 2 321.364 -1.123 20 0 DAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627390473 373672992 /nfs/dbraw/zinc/67/29/92/373672992.db2.gz NAOLMSRTQSASIE-LBPRGKRZSA-N 2 2 314.386 -2.071 20 0 DAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000627452671 373677858 /nfs/dbraw/zinc/67/78/58/373677858.db2.gz QHZHFFBLXPGTNU-UHFFFAOYSA-N 2 2 310.398 -1.083 20 0 DAADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627472592 373682610 /nfs/dbraw/zinc/68/26/10/373682610.db2.gz UICCJXYNPDAILU-LLVKDONJSA-N 2 2 316.427 -1.744 20 0 DAADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627473353 373682641 /nfs/dbraw/zinc/68/26/41/373682641.db2.gz LYRLLEGQKVBFDC-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627473352 373682810 /nfs/dbraw/zinc/68/28/10/373682810.db2.gz LYRLLEGQKVBFDC-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474818 373684737 /nfs/dbraw/zinc/68/47/37/373684737.db2.gz YHXAARGLECGLAW-LBPRGKRZSA-N 2 2 314.386 -2.118 20 0 DAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631928176 373700604 /nfs/dbraw/zinc/70/06/04/373700604.db2.gz SJXLKWFTZNJPOT-CHWSQXEVSA-N 2 2 319.427 -1.289 20 0 DAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538543 373722428 /nfs/dbraw/zinc/72/24/28/373722428.db2.gz PADPJIQBCMLYMD-YNEHKIRRSA-N 2 2 319.427 -1.602 20 0 DAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538543 373722432 /nfs/dbraw/zinc/72/24/32/373722432.db2.gz PADPJIQBCMLYMD-YNEHKIRRSA-N 2 2 319.427 -1.602 20 0 DAADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538543 373722438 /nfs/dbraw/zinc/72/24/38/373722438.db2.gz PADPJIQBCMLYMD-YNEHKIRRSA-N 2 2 319.427 -1.602 20 0 DAADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538543 373722446 /nfs/dbraw/zinc/72/24/46/373722446.db2.gz PADPJIQBCMLYMD-YNEHKIRRSA-N 2 2 319.427 -1.602 20 0 DAADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633077382 373726377 /nfs/dbraw/zinc/72/63/77/373726377.db2.gz UOOYRDPZYCHGRL-IHRRRGAJSA-N 2 2 322.409 -1.118 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633075457 373726753 /nfs/dbraw/zinc/72/67/53/373726753.db2.gz GTEGBQNDFYPWBQ-CHWSQXEVSA-N 2 2 312.414 -1.170 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000633110372 373731042 /nfs/dbraw/zinc/73/10/42/373731042.db2.gz IOSRBOVQEAEKGT-MGPQQGTHSA-N 2 2 324.425 -1.027 20 0 DAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000633118013 373731211 /nfs/dbraw/zinc/73/12/11/373731211.db2.gz HJDUMMYPNLGPJY-AGIUHOORSA-N 2 2 310.398 -1.132 20 0 DAADLP O=C(CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000444182664 545780798 /nfs/dbraw/zinc/78/07/98/545780798.db2.gz LKTOIHHQTOKRLT-DOMZBBRYSA-N 2 2 310.398 -1.449 20 0 DAADLP [NH3+]CC[N@H+](CCO)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000342399900 269708955 /nfs/dbraw/zinc/70/89/55/269708955.db2.gz LWJQUZLKDZMHRU-UHFFFAOYSA-N 2 2 322.413 -1.232 20 0 DAADLP [NH3+]CC[N@@H+](CCO)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000342399900 269708957 /nfs/dbraw/zinc/70/89/57/269708957.db2.gz LWJQUZLKDZMHRU-UHFFFAOYSA-N 2 2 322.413 -1.232 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(NC[C@@H](C)C[NH+](C)C)n1 ZINC000488980190 545793475 /nfs/dbraw/zinc/79/34/75/545793475.db2.gz LXLRCCJWPLIELB-LLVKDONJSA-N 2 2 311.434 -1.029 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000488980190 545793493 /nfs/dbraw/zinc/79/34/93/545793493.db2.gz LXLRCCJWPLIELB-LLVKDONJSA-N 2 2 311.434 -1.029 20 0 DAADLP CC(C)Nc1nc(NC[C@@H](C)C[NH+](C)C)nc(NCCO)[nH+]1 ZINC000488980190 545793496 /nfs/dbraw/zinc/79/34/96/545793496.db2.gz LXLRCCJWPLIELB-LLVKDONJSA-N 2 2 311.434 -1.029 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000340255659 131281512 /nfs/dbraw/zinc/28/15/12/131281512.db2.gz KFXDLRYCXJEERD-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000353506915 131318612 /nfs/dbraw/zinc/31/86/12/131318612.db2.gz FCETUWKIGWDXHM-RYUDHWBXSA-N 2 2 314.386 -1.991 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021806 545811733 /nfs/dbraw/zinc/81/17/33/545811733.db2.gz LADSZEMVVHZCOC-UTUOFQBUSA-N 2 2 300.403 -1.064 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021806 545811741 /nfs/dbraw/zinc/81/17/41/545811741.db2.gz LADSZEMVVHZCOC-UTUOFQBUSA-N 2 2 300.403 -1.064 20 0 DAADLP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000670385518 545823682 /nfs/dbraw/zinc/82/36/82/545823682.db2.gz LMPDXKZXNJIEGY-KBPBESRZSA-N 2 2 314.430 -1.568 20 0 DAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653109492 409329057 /nfs/dbraw/zinc/32/90/57/409329057.db2.gz CSZXBQYMLQHEJD-ZFWWWQNUSA-N 2 2 310.398 -1.497 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653105973 409327863 /nfs/dbraw/zinc/32/78/63/409327863.db2.gz OHQLJQCOEYKHNH-ZDUSSCGKSA-N 2 2 313.446 -1.066 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443490 409383159 /nfs/dbraw/zinc/38/31/59/409383159.db2.gz QEOYDNKMYZUKCN-NWDGAFQWSA-N 2 2 323.397 -1.225 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443490 409383163 /nfs/dbraw/zinc/38/31/63/409383163.db2.gz QEOYDNKMYZUKCN-NWDGAFQWSA-N 2 2 323.397 -1.225 20 0 DAADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652356785 409383372 /nfs/dbraw/zinc/38/33/72/409383372.db2.gz HJNQEZVCHDMBFI-QJPTWQEYSA-N 2 2 300.403 -1.125 20 0 DAADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652356785 409383374 /nfs/dbraw/zinc/38/33/74/409383374.db2.gz HJNQEZVCHDMBFI-QJPTWQEYSA-N 2 2 300.403 -1.125 20 0 DAADLP C[NH+]1CCN(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000644885845 409389529 /nfs/dbraw/zinc/38/95/29/409389529.db2.gz LTNVAQFQXIOOGW-ZDUSSCGKSA-N 2 2 300.403 -1.957 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647829754 409397709 /nfs/dbraw/zinc/39/77/09/409397709.db2.gz UTJMSTUHNMMWLT-RKDXNWHRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647829754 409397713 /nfs/dbraw/zinc/39/77/13/409397713.db2.gz UTJMSTUHNMMWLT-RKDXNWHRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000410484147 409337004 /nfs/dbraw/zinc/33/70/04/409337004.db2.gz GAGXLECROOPDGZ-OLZOCXBDSA-N 2 2 312.414 -1.326 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000410484143 409337429 /nfs/dbraw/zinc/33/74/29/409337429.db2.gz GAGXLECROOPDGZ-CHWSQXEVSA-N 2 2 312.414 -1.326 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000410533321 409338617 /nfs/dbraw/zinc/33/86/17/409338617.db2.gz YNDGXKLKBHFCFJ-ZIAGYGMSSA-N 2 2 324.425 -1.182 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000410533321 409338620 /nfs/dbraw/zinc/33/86/20/409338620.db2.gz YNDGXKLKBHFCFJ-ZIAGYGMSSA-N 2 2 324.425 -1.182 20 0 DAADLP O=C(CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000655445912 409339125 /nfs/dbraw/zinc/33/91/25/409339125.db2.gz RWXODRYNKKSCFY-XJKSGUPXSA-N 2 2 324.425 -1.059 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000653275786 409346202 /nfs/dbraw/zinc/34/62/02/409346202.db2.gz NTSRWCFAONMXNK-ZDUSSCGKSA-N 2 2 301.387 -1.218 20 0 DAADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638091186 409403589 /nfs/dbraw/zinc/40/35/89/409403589.db2.gz REIPVCFBTVNBPM-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP COCCC[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638121570 409405133 /nfs/dbraw/zinc/40/51/33/409405133.db2.gz GJXPSXFGZGGOGY-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638121570 409405135 /nfs/dbraw/zinc/40/51/35/409405135.db2.gz GJXPSXFGZGGOGY-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CN(CCCNC(=O)C[NH2+]CC1([NH3+])CCC1)S(C)(=O)=O ZINC000342092979 409412842 /nfs/dbraw/zinc/41/28/42/409412842.db2.gz DVWRHXOQUZRNLI-UHFFFAOYSA-N 2 2 306.432 -1.145 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330542260 409421730 /nfs/dbraw/zinc/42/17/30/409421730.db2.gz AIHWERKGISAIBK-IHRRRGAJSA-N 2 2 315.414 -1.143 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330542260 409421734 /nfs/dbraw/zinc/42/17/34/409421734.db2.gz AIHWERKGISAIBK-IHRRRGAJSA-N 2 2 315.414 -1.143 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(C(C)=O)CC2)[N@H+](C)C1 ZINC000330528980 409422206 /nfs/dbraw/zinc/42/22/06/409422206.db2.gz MBWUJIVEWHWBOJ-KBPBESRZSA-N 2 2 312.414 -1.014 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(C(C)=O)CC2)[N@@H+](C)C1 ZINC000330528980 409422210 /nfs/dbraw/zinc/42/22/10/409422210.db2.gz MBWUJIVEWHWBOJ-KBPBESRZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH+](C)C1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000345290421 409437727 /nfs/dbraw/zinc/43/77/27/409437727.db2.gz BGNZVLOQLAJIRZ-CYBMUJFWSA-N 2 2 324.425 -1.061 20 0 DAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000347702694 409445641 /nfs/dbraw/zinc/44/56/41/409445641.db2.gz UFYLDLSGTMZARB-SNVBAGLBSA-N 2 2 311.386 -2.127 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000332444353 409461484 /nfs/dbraw/zinc/46/14/84/409461484.db2.gz BUIKWLPYUHCJMU-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[NH+](CC)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347900866 409448083 /nfs/dbraw/zinc/44/80/83/409448083.db2.gz MYGAIKPPRSAYHB-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000332715224 409463227 /nfs/dbraw/zinc/46/32/27/409463227.db2.gz VUZNSOADRDJPSK-HZSPNIEDSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332674532 409463301 /nfs/dbraw/zinc/46/33/01/409463301.db2.gz RCWAHIIEEIUTJE-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000332350068 409463352 /nfs/dbraw/zinc/46/33/52/409463352.db2.gz ASCNZBUAPFAHIK-CQSZACIVSA-N 2 2 323.441 -1.343 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000332492477 409463401 /nfs/dbraw/zinc/46/34/01/409463401.db2.gz VKNQTCLHESEGJV-CQSZACIVSA-N 2 2 324.425 -1.059 20 0 DAADLP CN(C)c1nc(N2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)cc[nH+]1 ZINC000353724625 409475215 /nfs/dbraw/zinc/47/52/15/409475215.db2.gz UWSJCONHNONPOE-SNVBAGLBSA-N 2 2 321.385 -1.606 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000355272482 409484221 /nfs/dbraw/zinc/48/42/21/409484221.db2.gz VIEFUOXSJLIIHW-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000355272482 409484224 /nfs/dbraw/zinc/48/42/24/409484224.db2.gz VIEFUOXSJLIIHW-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000356056989 409487855 /nfs/dbraw/zinc/48/78/55/409487855.db2.gz IWXDCHILTZWAOI-CQSZACIVSA-N 2 2 300.403 -1.374 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000356056989 409487862 /nfs/dbraw/zinc/48/78/62/409487862.db2.gz IWXDCHILTZWAOI-CQSZACIVSA-N 2 2 300.403 -1.374 20 0 DAADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000356056989 409487865 /nfs/dbraw/zinc/48/78/65/409487865.db2.gz IWXDCHILTZWAOI-CQSZACIVSA-N 2 2 300.403 -1.374 20 0 DAADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000356056989 409487871 /nfs/dbraw/zinc/48/78/71/409487871.db2.gz IWXDCHILTZWAOI-CQSZACIVSA-N 2 2 300.403 -1.374 20 0 DAADLP [NH3+]CCOCC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000357031565 409491348 /nfs/dbraw/zinc/49/13/48/409491348.db2.gz QITMIIQDFWPODB-UHFFFAOYSA-N 2 2 314.386 -2.035 20 0 DAADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000357612976 409494189 /nfs/dbraw/zinc/49/41/89/409494189.db2.gz MGVYIWPJVQEDCF-UHFFFAOYSA-N 2 2 318.443 -1.239 20 0 DAADLP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000429046602 409562571 /nfs/dbraw/zinc/56/25/71/409562571.db2.gz NAVJOFRIQOWMGQ-ZIAGYGMSSA-N 2 2 324.425 -1.026 20 0 DAADLP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361821414 409509814 /nfs/dbraw/zinc/50/98/14/409509814.db2.gz QJFYDMAHRKQWKG-ZDUSSCGKSA-N 2 2 323.459 -1.059 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431063209 409568703 /nfs/dbraw/zinc/56/87/03/409568703.db2.gz YSHZXDXWYJQNHU-AAEUAGOBSA-N 2 2 300.403 -1.076 20 0 DAADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659718132 409534517 /nfs/dbraw/zinc/53/45/17/409534517.db2.gz NTJDJWNLCXWBAP-OLZOCXBDSA-N 2 2 310.398 -1.227 20 0 DAADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659718134 409535560 /nfs/dbraw/zinc/53/55/60/409535560.db2.gz NTJDJWNLCXWBAP-STQMWFEESA-N 2 2 310.398 -1.227 20 0 DAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420156126 409538116 /nfs/dbraw/zinc/53/81/16/409538116.db2.gz VDLKJXNQOPGOCD-VIFPVBQESA-N 2 2 308.329 -1.467 20 0 DAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420156126 409538127 /nfs/dbraw/zinc/53/81/27/409538127.db2.gz VDLKJXNQOPGOCD-VIFPVBQESA-N 2 2 308.329 -1.467 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000420239414 409538894 /nfs/dbraw/zinc/53/88/94/409538894.db2.gz OVJKFVQPLUMYGG-LLVKDONJSA-N 2 2 309.418 -1.084 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC000420239414 409538911 /nfs/dbraw/zinc/53/89/11/409538911.db2.gz OVJKFVQPLUMYGG-LLVKDONJSA-N 2 2 309.418 -1.084 20 0 DAADLP CC(C)Nc1nc(NCC[C@H]2CCC[NH2+]2)nc(NCCO)[nH+]1 ZINC000420239414 409538918 /nfs/dbraw/zinc/53/89/18/409538918.db2.gz OVJKFVQPLUMYGG-LLVKDONJSA-N 2 2 309.418 -1.084 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000420020876 409539455 /nfs/dbraw/zinc/53/94/55/409539455.db2.gz GLMMLUBTSFKJGW-WDEREUQCSA-N 2 2 314.386 -1.454 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000420020876 409539461 /nfs/dbraw/zinc/53/94/61/409539461.db2.gz GLMMLUBTSFKJGW-WDEREUQCSA-N 2 2 314.386 -1.454 20 0 DAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420148465 409540371 /nfs/dbraw/zinc/54/03/71/409540371.db2.gz GASCQZVDDFNKGV-UHFFFAOYSA-N 2 2 322.356 -1.388 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420159318 409541364 /nfs/dbraw/zinc/54/13/64/409541364.db2.gz ZFOSYMRWLQNKFT-SNVBAGLBSA-N 2 2 322.356 -1.124 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420121617 409541549 /nfs/dbraw/zinc/54/15/49/409541549.db2.gz PNNNRSRKKHGXRR-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000430718183 409569324 /nfs/dbraw/zinc/56/93/24/409569324.db2.gz BMUMEKZNEWKTDE-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000423354607 409544869 /nfs/dbraw/zinc/54/48/69/409544869.db2.gz DBAZHAAXFZTJMI-CHWSQXEVSA-N 2 2 312.414 -1.061 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423033037 409547655 /nfs/dbraw/zinc/54/76/55/409547655.db2.gz GDQZMFVTQHFXOU-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000423439613 409548182 /nfs/dbraw/zinc/54/81/82/409548182.db2.gz AGGHWFBJJCZTRN-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000423439613 409548189 /nfs/dbraw/zinc/54/81/89/409548189.db2.gz AGGHWFBJJCZTRN-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093257149 409552619 /nfs/dbraw/zinc/55/26/19/409552619.db2.gz SHIOSDWPWLBNAB-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093257149 409552629 /nfs/dbraw/zinc/55/26/29/409552629.db2.gz SHIOSDWPWLBNAB-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000520826956 409553613 /nfs/dbraw/zinc/55/36/13/409553613.db2.gz DCBUFGDZOBRHTO-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]1[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648779412 409639547 /nfs/dbraw/zinc/63/95/47/409639547.db2.gz NZWIRYVACMGCIL-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H]1[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000648779412 409639552 /nfs/dbraw/zinc/63/95/52/409639552.db2.gz NZWIRYVACMGCIL-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647030 409571188 /nfs/dbraw/zinc/57/11/88/409571188.db2.gz PUJAFRKTGFZNCA-NSHDSACASA-N 2 2 313.402 -1.027 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647030 409571190 /nfs/dbraw/zinc/57/11/90/409571190.db2.gz PUJAFRKTGFZNCA-NSHDSACASA-N 2 2 313.402 -1.027 20 0 DAADLP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H]([NH3+])C1)c(=O)n2C ZINC000430609528 409571582 /nfs/dbraw/zinc/57/15/82/409571582.db2.gz IBZDBMYGVVGTER-JTQLQIEISA-N 2 2 306.370 -1.143 20 0 DAADLP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H]([NH3+])C1)c(=O)n2C ZINC000430609528 409571591 /nfs/dbraw/zinc/57/15/91/409571591.db2.gz IBZDBMYGVVGTER-JTQLQIEISA-N 2 2 306.370 -1.143 20 0 DAADLP C[NH+](C)CC(=O)NCC1(NC(=O)C[NH+](C)C)CCOCC1 ZINC000442652469 409585175 /nfs/dbraw/zinc/58/51/75/409585175.db2.gz QJQUSFFDGSWTSR-UHFFFAOYSA-N 2 2 300.403 -1.109 20 0 DAADLP [NH3+]CCOCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000646021421 409601640 /nfs/dbraw/zinc/60/16/40/409601640.db2.gz ZIDBIKUTHTTXBA-LBPRGKRZSA-N 2 2 314.386 -1.989 20 0 DAADLP [NH3+]CCOCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000646021420 409604298 /nfs/dbraw/zinc/60/42/98/409604298.db2.gz ZIDBIKUTHTTXBA-GFCCVEGCSA-N 2 2 314.386 -1.989 20 0 DAADLP Cn1cc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574414 409606167 /nfs/dbraw/zinc/60/61/67/409606167.db2.gz APOLROQZTCYEOT-RXNFCKPNSA-N 2 2 321.381 -1.802 20 0 DAADLP Cn1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574414 409606173 /nfs/dbraw/zinc/60/61/73/409606173.db2.gz APOLROQZTCYEOT-RXNFCKPNSA-N 2 2 321.381 -1.802 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659752635 409697032 /nfs/dbraw/zinc/69/70/32/409697032.db2.gz KUKWGZOXMKCZEN-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743293 409697865 /nfs/dbraw/zinc/69/78/65/409697865.db2.gz MAQOHRRLYFWGIO-BZUNDVKYSA-N 2 2 310.398 -1.309 20 0 DAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743293 409697873 /nfs/dbraw/zinc/69/78/73/409697873.db2.gz MAQOHRRLYFWGIO-BZUNDVKYSA-N 2 2 310.398 -1.309 20 0 DAADLP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659740112 409699447 /nfs/dbraw/zinc/69/94/47/409699447.db2.gz LAAREXNASPYGKU-MFOWVQHXSA-N 2 2 322.409 -1.212 20 0 DAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739071 409642961 /nfs/dbraw/zinc/64/29/61/409642961.db2.gz RHKWNVWDELPYRU-CQSZACIVSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739071 409642970 /nfs/dbraw/zinc/64/29/70/409642970.db2.gz RHKWNVWDELPYRU-CQSZACIVSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739071 409642976 /nfs/dbraw/zinc/64/29/76/409642976.db2.gz RHKWNVWDELPYRU-CQSZACIVSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739071 409642983 /nfs/dbraw/zinc/64/29/83/409642983.db2.gz RHKWNVWDELPYRU-CQSZACIVSA-N 2 2 314.430 -1.031 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000576348628 409660130 /nfs/dbraw/zinc/66/01/30/409660130.db2.gz DSFMAXKRQJPXBJ-CHWSQXEVSA-N 3 2 311.430 -1.502 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000576348628 409660141 /nfs/dbraw/zinc/66/01/41/409660141.db2.gz DSFMAXKRQJPXBJ-CHWSQXEVSA-N 3 2 311.430 -1.502 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659697484 409688877 /nfs/dbraw/zinc/68/88/77/409688877.db2.gz IABFLEJFQGUGDI-XIKARTHZSA-N 2 2 310.398 -1.227 20 0 DAADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659709082 409689494 /nfs/dbraw/zinc/68/94/94/409689494.db2.gz DPOHNSIRIBMSOT-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000659696101 409690132 /nfs/dbraw/zinc/69/01/32/409690132.db2.gz IIVWLNADNWTFEM-IRCOFANPSA-N 2 2 316.377 -1.281 20 0 DAADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659696101 409690135 /nfs/dbraw/zinc/69/01/35/409690135.db2.gz IIVWLNADNWTFEM-IRCOFANPSA-N 2 2 316.377 -1.281 20 0 DAADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662962583 409721186 /nfs/dbraw/zinc/72/11/86/409721186.db2.gz LOFOBZRYFDHLOT-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662950306 409721586 /nfs/dbraw/zinc/72/15/86/409721586.db2.gz GPDOJIQWBSZLAH-QWHCGFSZSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662962582 409721602 /nfs/dbraw/zinc/72/16/02/409721602.db2.gz LOFOBZRYFDHLOT-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662948821 409722352 /nfs/dbraw/zinc/72/23/52/409722352.db2.gz NUQWJHAZDLKABV-QWHCGFSZSA-N 2 2 310.398 -1.131 20 0 DAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664026592 409728382 /nfs/dbraw/zinc/72/83/82/409728382.db2.gz WUKHQXWISXWQCI-IHRRRGAJSA-N 2 2 313.446 -1.061 20 0 DAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664026595 409728734 /nfs/dbraw/zinc/72/87/34/409728734.db2.gz WUKHQXWISXWQCI-RDBSUJKOSA-N 2 2 313.446 -1.061 20 0 DAADLP C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CC[NH2+]CC1=O ZINC000638088518 409743074 /nfs/dbraw/zinc/74/30/74/409743074.db2.gz HRZQVCLJCZGDNM-LLVKDONJSA-N 2 2 308.386 -0.797 20 0 DAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1C[NH2+]CCO1 ZINC000430723948 409777350 /nfs/dbraw/zinc/77/73/50/409777350.db2.gz UATMYYJFXOUOGV-LBPRGKRZSA-N 2 2 309.370 -0.858 20 0 DAADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1(O)C[NH2+]C1 ZINC000662696318 409713580 /nfs/dbraw/zinc/71/35/80/409713580.db2.gz WYZXCJHLNSOEBT-GFCCVEGCSA-N 2 2 301.412 -1.355 20 0 DAADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCN1S(C)(=O)=O ZINC000662691614 409713831 /nfs/dbraw/zinc/71/38/31/409713831.db2.gz JRWLXFHIMOTUJV-MNOVXSKESA-N 2 2 306.432 -1.242 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662709849 409714894 /nfs/dbraw/zinc/71/48/94/409714894.db2.gz SYWCPHACLWLMFU-CYBMUJFWSA-N 2 2 310.398 -1.212 20 0 DAADLP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000662738162 409718894 /nfs/dbraw/zinc/71/88/94/409718894.db2.gz VCBLDHGQUPOEKX-JHJVBQTASA-N 2 2 310.398 -1.227 20 0 DAADLP C[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CC[NH2+]CC1=O ZINC000638088526 409799043 /nfs/dbraw/zinc/79/90/43/409799043.db2.gz HRZQVCLJCZGDNM-NSHDSACASA-N 2 2 308.386 -0.797 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193756896 782016175 /nfs/dbraw/zinc/01/61/75/782016175.db2.gz VHEIXZJJNMVMFZ-FRRDWIJNSA-N 2 2 311.386 -2.033 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193756896 782016169 /nfs/dbraw/zinc/01/61/69/782016169.db2.gz VHEIXZJJNMVMFZ-FRRDWIJNSA-N 2 2 311.386 -2.033 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821038 782017056 /nfs/dbraw/zinc/01/70/56/782017056.db2.gz BRLFPWPBZBIBEN-MGPQQGTHSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821038 782017066 /nfs/dbraw/zinc/01/70/66/782017066.db2.gz BRLFPWPBZBIBEN-MGPQQGTHSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821038 782017073 /nfs/dbraw/zinc/01/70/73/782017073.db2.gz BRLFPWPBZBIBEN-MGPQQGTHSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)C1CC1 ZINC001193754870 782016448 /nfs/dbraw/zinc/01/64/48/782016448.db2.gz CKNKXFIVBAIJSD-NFAWXSAZSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)C1CC1 ZINC001193754870 782016458 /nfs/dbraw/zinc/01/64/58/782016458.db2.gz CKNKXFIVBAIJSD-NFAWXSAZSA-N 2 2 324.425 -1.280 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821038 782017046 /nfs/dbraw/zinc/01/70/46/782017046.db2.gz BRLFPWPBZBIBEN-MGPQQGTHSA-N 2 2 324.425 -1.089 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821658 782019351 /nfs/dbraw/zinc/01/93/51/782019351.db2.gz OQPRZJBLWRVCOP-RAIGVLPGSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821658 782019371 /nfs/dbraw/zinc/01/93/71/782019371.db2.gz OQPRZJBLWRVCOP-RAIGVLPGSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821658 782019361 /nfs/dbraw/zinc/01/93/61/782019361.db2.gz OQPRZJBLWRVCOP-RAIGVLPGSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821658 782019382 /nfs/dbraw/zinc/01/93/82/782019382.db2.gz OQPRZJBLWRVCOP-RAIGVLPGSA-N 2 2 312.414 -1.234 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001194026939 782026913 /nfs/dbraw/zinc/02/69/13/782026913.db2.gz NHMUUFGMUJVJIT-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001194026939 782026921 /nfs/dbraw/zinc/02/69/21/782026921.db2.gz NHMUUFGMUJVJIT-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461158 782036534 /nfs/dbraw/zinc/03/65/34/782036534.db2.gz WIFCJWPTDDOQLX-QWRGUYRKSA-N 2 2 322.369 -1.001 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461158 782036543 /nfs/dbraw/zinc/03/65/43/782036543.db2.gz WIFCJWPTDDOQLX-QWRGUYRKSA-N 2 2 322.369 -1.001 20 0 DAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262556205 262493697 /nfs/dbraw/zinc/49/36/97/262493697.db2.gz UZVSIDGLBPNFBL-HZSPNIEDSA-N 2 2 324.425 -1.136 20 0 DAADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000429046600 262625758 /nfs/dbraw/zinc/62/57/58/262625758.db2.gz NAVJOFRIQOWMGQ-UONOGXRCSA-N 2 2 324.425 -1.026 20 0 DAADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803966 263218162 /nfs/dbraw/zinc/21/81/62/263218162.db2.gz RWOOTGCHZNAYMY-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423033036 263219271 /nfs/dbraw/zinc/21/92/71/263219271.db2.gz GDQZMFVTQHFXOU-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000370685720 263224938 /nfs/dbraw/zinc/22/49/38/263224938.db2.gz HPZKGKJCQDTARX-LBPRGKRZSA-N 2 2 323.397 -1.223 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419432610 263233162 /nfs/dbraw/zinc/23/31/62/263233162.db2.gz YGYAGAHQXJYHGR-YNEHKIRRSA-N 2 2 312.414 -1.063 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423231979 263233483 /nfs/dbraw/zinc/23/34/83/263233483.db2.gz BNZWLBLDJXDFEA-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[NH2+]C1 ZINC000262409609 263233495 /nfs/dbraw/zinc/23/34/95/263233495.db2.gz QLGGWELXNSHNSJ-JSGCOSHPSA-N 2 2 324.425 -1.109 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331208093 263233838 /nfs/dbraw/zinc/23/38/38/263233838.db2.gz FOZWJVSXSCBPPU-GXTWGEPZSA-N 2 2 301.387 -1.484 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331208093 263233839 /nfs/dbraw/zinc/23/38/39/263233839.db2.gz FOZWJVSXSCBPPU-GXTWGEPZSA-N 2 2 301.387 -1.484 20 0 DAADLP C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000419683317 263239363 /nfs/dbraw/zinc/23/93/63/263239363.db2.gz KKCJJKKYHMCFQR-UWVGGRQHSA-N 2 2 322.356 -1.078 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423484748 263239485 /nfs/dbraw/zinc/23/94/85/263239485.db2.gz AELHJWNIUBPWBI-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000356056987 263245885 /nfs/dbraw/zinc/24/58/85/263245885.db2.gz IWXDCHILTZWAOI-AWEZNQCLSA-N 2 2 300.403 -1.374 20 0 DAADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000356056987 263245887 /nfs/dbraw/zinc/24/58/87/263245887.db2.gz IWXDCHILTZWAOI-AWEZNQCLSA-N 2 2 300.403 -1.374 20 0 DAADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000356056987 263245889 /nfs/dbraw/zinc/24/58/89/263245889.db2.gz IWXDCHILTZWAOI-AWEZNQCLSA-N 2 2 300.403 -1.374 20 0 DAADLP C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261790866 263246748 /nfs/dbraw/zinc/24/67/48/263246748.db2.gz QUMVUPSQERTBNO-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430809577 263247119 /nfs/dbraw/zinc/24/71/19/263247119.db2.gz QOURLIQKUFXXKF-UHFFFAOYSA-N 2 2 311.386 -2.174 20 0 DAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000530222750 263250609 /nfs/dbraw/zinc/25/06/09/263250609.db2.gz KVOLCBUTTSTXOF-UHFFFAOYSA-N 2 2 311.430 -1.039 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408032987 263252574 /nfs/dbraw/zinc/25/25/74/263252574.db2.gz GEBUHROYLARUDI-ZDUSSCGKSA-N 2 2 323.441 -1.216 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000352462852 263257533 /nfs/dbraw/zinc/25/75/33/263257533.db2.gz TVPAEABMPZXNGX-CYBMUJFWSA-N 2 2 312.414 -1.107 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000352462852 263257535 /nfs/dbraw/zinc/25/75/35/263257535.db2.gz TVPAEABMPZXNGX-CYBMUJFWSA-N 2 2 312.414 -1.107 20 0 DAADLP C[NH2+][C@@H](C)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261790867 263259653 /nfs/dbraw/zinc/25/96/53/263259653.db2.gz QUMVUPSQERTBNO-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000170370045 263260829 /nfs/dbraw/zinc/26/08/29/263260829.db2.gz MXBBTCWQBKAYHI-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000331702445 263261985 /nfs/dbraw/zinc/26/19/85/263261985.db2.gz FXAVBJBWPFFTLK-MJBXVCDLSA-N 2 2 324.425 -1.014 20 0 DAADLP COC[C@H]([NH3+])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000263247406 263263976 /nfs/dbraw/zinc/26/39/76/263263976.db2.gz NLYDKQGLWYIQEW-NSHDSACASA-N 2 2 319.369 -1.014 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261930343 263266767 /nfs/dbraw/zinc/26/67/67/263266767.db2.gz JMXLXRGCRHCFKY-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261930343 263266768 /nfs/dbraw/zinc/26/67/68/263266768.db2.gz JMXLXRGCRHCFKY-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000167567927 263266825 /nfs/dbraw/zinc/26/68/25/263266825.db2.gz SOIDZTLWRQRQES-GFCCVEGCSA-N 2 2 310.398 -1.131 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000330549270 263271090 /nfs/dbraw/zinc/27/10/90/263271090.db2.gz RHXCPJNWZJGQMX-OLZOCXBDSA-N 2 2 301.387 -1.532 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000330549270 263271091 /nfs/dbraw/zinc/27/10/91/263271091.db2.gz RHXCPJNWZJGQMX-OLZOCXBDSA-N 2 2 301.387 -1.532 20 0 DAADLP COC(=O)CNC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000347383431 263280422 /nfs/dbraw/zinc/28/04/22/263280422.db2.gz LGDRFHFHWWDTAW-UHFFFAOYSA-N 2 2 314.386 -1.629 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000192968196 263287033 /nfs/dbraw/zinc/28/70/33/263287033.db2.gz FJLZTTHHYAEWSY-GFCCVEGCSA-N 2 2 306.432 -1.523 20 0 DAADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803956 263288491 /nfs/dbraw/zinc/28/84/91/263288491.db2.gz RWOOTGCHZNAYMY-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCN([C@H](C)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236891105 263290059 /nfs/dbraw/zinc/29/00/59/263290059.db2.gz LJDDWGINDCSMIM-CYBMUJFWSA-N 2 2 311.430 -1.440 20 0 DAADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000420144546 263290676 /nfs/dbraw/zinc/29/06/76/263290676.db2.gz NEICLINRZULNSI-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000423030362 263291865 /nfs/dbraw/zinc/29/18/65/263291865.db2.gz BPIIPEIXWNIEKQ-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000178976869 263293299 /nfs/dbraw/zinc/29/32/99/263293299.db2.gz WCWIOGVAUCPOGC-UHFFFAOYSA-N 2 2 318.443 -1.272 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000178976869 263293300 /nfs/dbraw/zinc/29/33/00/263293300.db2.gz WCWIOGVAUCPOGC-UHFFFAOYSA-N 2 2 318.443 -1.272 20 0 DAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000332094376 263295835 /nfs/dbraw/zinc/29/58/35/263295835.db2.gz OQFPJKLADCHYDZ-OLZOCXBDSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000332094376 263295837 /nfs/dbraw/zinc/29/58/37/263295837.db2.gz OQFPJKLADCHYDZ-OLZOCXBDSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332094376 263295838 /nfs/dbraw/zinc/29/58/38/263295838.db2.gz OQFPJKLADCHYDZ-OLZOCXBDSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332094376 263295840 /nfs/dbraw/zinc/29/58/40/263295840.db2.gz OQFPJKLADCHYDZ-OLZOCXBDSA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC000514931985 263301027 /nfs/dbraw/zinc/30/10/27/263301027.db2.gz MGGUVTOOKKRIIY-UTUOFQBUSA-N 2 2 309.432 -1.405 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430749340 263306771 /nfs/dbraw/zinc/30/67/71/263306771.db2.gz VBHKLWGBFOTJKU-NSHDSACASA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623211 263307998 /nfs/dbraw/zinc/30/79/98/263307998.db2.gz BNAZLQKVHKNZBJ-XQQFMLRXSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[NH2+]C1 ZINC000262409608 263309297 /nfs/dbraw/zinc/30/92/97/263309297.db2.gz QLGGWELXNSHNSJ-GXTWGEPZSA-N 2 2 324.425 -1.109 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000419840148 263309692 /nfs/dbraw/zinc/30/96/92/263309692.db2.gz RSMUTEMDFHHNRJ-LLVKDONJSA-N 2 2 314.386 -1.453 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000419840148 263309694 /nfs/dbraw/zinc/30/96/94/263309694.db2.gz RSMUTEMDFHHNRJ-LLVKDONJSA-N 2 2 314.386 -1.453 20 0 DAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423536608 263312154 /nfs/dbraw/zinc/31/21/54/263312154.db2.gz HZFOHZMVYCOSOI-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423536608 263312156 /nfs/dbraw/zinc/31/21/56/263312156.db2.gz HZFOHZMVYCOSOI-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000420154487 263313454 /nfs/dbraw/zinc/31/34/54/263313454.db2.gz IWMGVSHKLSPJKC-VXGBXAGGSA-N 2 2 300.403 -1.063 20 0 DAADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000420154487 263313456 /nfs/dbraw/zinc/31/34/56/263313456.db2.gz IWMGVSHKLSPJKC-VXGBXAGGSA-N 2 2 300.403 -1.063 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332727897 263319803 /nfs/dbraw/zinc/31/98/03/263319803.db2.gz YYSSQZYDIQHQSQ-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C[NH+]1CCOCC1 ZINC000419302489 263319865 /nfs/dbraw/zinc/31/98/65/263319865.db2.gz PTAUBBXRVJGXJL-SNVBAGLBSA-N 2 2 322.356 -1.219 20 0 DAADLP CC(C)[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCOCC1 ZINC000236658411 263320660 /nfs/dbraw/zinc/32/06/60/263320660.db2.gz GLJPPTZWWZTGBN-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CN2CC[NH2+]CC2=O)no1 ZINC000431045077 263321142 /nfs/dbraw/zinc/32/11/42/263321142.db2.gz MHRJGLUWKLHQOG-UHFFFAOYSA-N 2 2 324.385 -1.086 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000408005547 263324795 /nfs/dbraw/zinc/32/47/95/263324795.db2.gz RCFRQNXMTVNNMU-VXGBXAGGSA-N 2 2 318.443 -1.098 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000408005547 263324796 /nfs/dbraw/zinc/32/47/96/263324796.db2.gz RCFRQNXMTVNNMU-VXGBXAGGSA-N 2 2 318.443 -1.098 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)O1 ZINC000527549706 263325203 /nfs/dbraw/zinc/32/52/03/263325203.db2.gz MBEAXLUHUJAFCF-UMVBOHGHSA-N 2 2 315.414 -1.095 20 0 DAADLP Cn1cnc2c1c(=O)n(CCC[N@H+](CC[NH3+])CCO)c(=O)n2C ZINC000342409843 263325797 /nfs/dbraw/zinc/32/57/97/263325797.db2.gz CNJMKKWHKUUAFM-UHFFFAOYSA-N 2 2 324.385 -1.923 20 0 DAADLP Cn1cnc2c1c(=O)n(CCC[N@@H+](CC[NH3+])CCO)c(=O)n2C ZINC000342409843 263325802 /nfs/dbraw/zinc/32/58/02/263325802.db2.gz CNJMKKWHKUUAFM-UHFFFAOYSA-N 2 2 324.385 -1.923 20 0 DAADLP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449633 782038080 /nfs/dbraw/zinc/03/80/80/782038080.db2.gz VXDSOEDHZQBKOH-SNVBAGLBSA-N 2 2 308.342 -1.389 20 0 DAADLP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449633 782038088 /nfs/dbraw/zinc/03/80/88/782038088.db2.gz VXDSOEDHZQBKOH-SNVBAGLBSA-N 2 2 308.342 -1.389 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195660874 782075672 /nfs/dbraw/zinc/07/56/72/782075672.db2.gz AVFVTWMGFMYFBN-GRYCIOLGSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195660874 782075679 /nfs/dbraw/zinc/07/56/79/782075679.db2.gz AVFVTWMGFMYFBN-GRYCIOLGSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001195654383 782075812 /nfs/dbraw/zinc/07/58/12/782075812.db2.gz RLMMOSRQDMDYPT-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001195654383 782075816 /nfs/dbraw/zinc/07/58/16/782075816.db2.gz RLMMOSRQDMDYPT-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709127 782076740 /nfs/dbraw/zinc/07/67/40/782076740.db2.gz XELSSFPVUNBDPP-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709127 782076746 /nfs/dbraw/zinc/07/67/46/782076746.db2.gz XELSSFPVUNBDPP-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700323 782077014 /nfs/dbraw/zinc/07/70/14/782077014.db2.gz ABAPXGTWKAMVRI-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700323 782077020 /nfs/dbraw/zinc/07/70/20/782077020.db2.gz ABAPXGTWKAMVRI-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701122 782077046 /nfs/dbraw/zinc/07/70/46/782077046.db2.gz JNMUAFIEWCJCSI-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701122 782077052 /nfs/dbraw/zinc/07/70/52/782077052.db2.gz JNMUAFIEWCJCSI-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860380 782085124 /nfs/dbraw/zinc/08/51/24/782085124.db2.gz WODBZJANABXQMR-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860380 782085134 /nfs/dbraw/zinc/08/51/34/782085134.db2.gz WODBZJANABXQMR-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000557255112 331778727 /nfs/dbraw/zinc/77/87/27/331778727.db2.gz VHGBVHNCEBPPTC-ZDUSSCGKSA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000569364699 332058053 /nfs/dbraw/zinc/05/80/53/332058053.db2.gz RQDLACRUMRNFSP-ZJUUUORDSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000569364699 332058054 /nfs/dbraw/zinc/05/80/54/332058054.db2.gz RQDLACRUMRNFSP-ZJUUUORDSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000566244306 332276258 /nfs/dbraw/zinc/27/62/58/332276258.db2.gz IZQAVLQEXLLUIG-KXUCPTDWSA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000566244306 332276259 /nfs/dbraw/zinc/27/62/59/332276259.db2.gz IZQAVLQEXLLUIG-KXUCPTDWSA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000566244317 332276442 /nfs/dbraw/zinc/27/64/42/332276442.db2.gz IZQAVLQEXLLUIG-UTLUCORTSA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000566244317 332276443 /nfs/dbraw/zinc/27/64/43/332276443.db2.gz IZQAVLQEXLLUIG-UTLUCORTSA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062814 333195921 /nfs/dbraw/zinc/19/59/21/333195921.db2.gz BFUIUOASYHHGOJ-DTWKUNHWSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062814 333195922 /nfs/dbraw/zinc/19/59/22/333195922.db2.gz BFUIUOASYHHGOJ-DTWKUNHWSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062816 333195948 /nfs/dbraw/zinc/19/59/48/333195948.db2.gz BFUIUOASYHHGOJ-RKDXNWHRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062816 333195949 /nfs/dbraw/zinc/19/59/49/333195949.db2.gz BFUIUOASYHHGOJ-RKDXNWHRSA-N 2 2 309.370 -1.482 20 0 DAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000582497945 337102028 /nfs/dbraw/zinc/10/20/28/337102028.db2.gz AULXLRCJNRRRLA-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420121622 337496005 /nfs/dbraw/zinc/49/60/05/337496005.db2.gz PNNNRSRKKHGXRR-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000564440523 341501945 /nfs/dbraw/zinc/50/19/45/341501945.db2.gz FTSSRFVNNOAPBV-CYBMUJFWSA-N 2 2 322.413 -1.167 20 0 DAADLP [NH3+]C1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000574688942 341765884 /nfs/dbraw/zinc/76/58/84/341765884.db2.gz VIPJBXQPVXXVMY-LBPRGKRZSA-N 2 2 310.398 -1.083 20 0 DAADLP CCC[NH2+][C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000576225001 341834635 /nfs/dbraw/zinc/83/46/35/341834635.db2.gz PHRIKRWMMASFIK-GFCCVEGCSA-N 2 2 300.403 -1.061 20 0 DAADLP COCC(C)(C)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000576941796 341871036 /nfs/dbraw/zinc/87/10/36/341871036.db2.gz QZYORPXVZVKUOX-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196947306 782117532 /nfs/dbraw/zinc/11/75/32/782117532.db2.gz WQFYQWIIZAPONZ-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196947306 782117540 /nfs/dbraw/zinc/11/75/40/782117540.db2.gz WQFYQWIIZAPONZ-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197057528 782121467 /nfs/dbraw/zinc/12/14/67/782121467.db2.gz CPQSEQNPTOIHEJ-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197527671 782133412 /nfs/dbraw/zinc/13/34/12/782133412.db2.gz BPMXGPWRFXDJDU-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197527671 782133419 /nfs/dbraw/zinc/13/34/19/782133419.db2.gz BPMXGPWRFXDJDU-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197527671 782133425 /nfs/dbraw/zinc/13/34/25/782133425.db2.gz BPMXGPWRFXDJDU-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197527671 782133438 /nfs/dbraw/zinc/13/34/38/782133438.db2.gz BPMXGPWRFXDJDU-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528095 782133580 /nfs/dbraw/zinc/13/35/80/782133580.db2.gz HQMTUZXURHSLBX-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528095 782133584 /nfs/dbraw/zinc/13/35/84/782133584.db2.gz HQMTUZXURHSLBX-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528095 782133586 /nfs/dbraw/zinc/13/35/86/782133586.db2.gz HQMTUZXURHSLBX-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528095 782133593 /nfs/dbraw/zinc/13/35/93/782133593.db2.gz HQMTUZXURHSLBX-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493338 782133621 /nfs/dbraw/zinc/13/36/21/782133621.db2.gz JGGDBNXPWYITIC-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493338 782133628 /nfs/dbraw/zinc/13/36/28/782133628.db2.gz JGGDBNXPWYITIC-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493338 782133634 /nfs/dbraw/zinc/13/36/34/782133634.db2.gz JGGDBNXPWYITIC-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493338 782133635 /nfs/dbraw/zinc/13/36/35/782133635.db2.gz JGGDBNXPWYITIC-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493339 782133981 /nfs/dbraw/zinc/13/39/81/782133981.db2.gz JGGDBNXPWYITIC-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493339 782133984 /nfs/dbraw/zinc/13/39/84/782133984.db2.gz JGGDBNXPWYITIC-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493339 782133989 /nfs/dbraw/zinc/13/39/89/782133989.db2.gz JGGDBNXPWYITIC-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493339 782133993 /nfs/dbraw/zinc/13/39/93/782133993.db2.gz JGGDBNXPWYITIC-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826058 782141772 /nfs/dbraw/zinc/14/17/72/782141772.db2.gz OMEUVHNLRRBEFW-IJLUTSLNSA-N 2 2 316.402 -2.010 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826058 782141775 /nfs/dbraw/zinc/14/17/75/782141775.db2.gz OMEUVHNLRRBEFW-IJLUTSLNSA-N 2 2 316.402 -2.010 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820151 782142707 /nfs/dbraw/zinc/14/27/07/782142707.db2.gz WKGPDKVYAHVPJE-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820151 782142716 /nfs/dbraw/zinc/14/27/16/782142716.db2.gz WKGPDKVYAHVPJE-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826190 782143038 /nfs/dbraw/zinc/14/30/38/782143038.db2.gz PREBMIUKMYEQEN-IJLUTSLNSA-N 2 2 316.402 -2.140 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826190 782143042 /nfs/dbraw/zinc/14/30/42/782143042.db2.gz PREBMIUKMYEQEN-IJLUTSLNSA-N 2 2 316.402 -2.140 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825142 782142250 /nfs/dbraw/zinc/14/22/50/782142250.db2.gz ZFODVNORZGNVRQ-UHFFFAOYSA-N 2 2 323.397 -1.189 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825142 782142257 /nfs/dbraw/zinc/14/22/57/782142257.db2.gz ZFODVNORZGNVRQ-UHFFFAOYSA-N 2 2 323.397 -1.189 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198003809 782143548 /nfs/dbraw/zinc/14/35/48/782143548.db2.gz HPODXPFWOAHZKL-QJPTWQEYSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198003809 782143557 /nfs/dbraw/zinc/14/35/57/782143557.db2.gz HPODXPFWOAHZKL-QJPTWQEYSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198003809 782143564 /nfs/dbraw/zinc/14/35/64/782143564.db2.gz HPODXPFWOAHZKL-QJPTWQEYSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198003809 782143570 /nfs/dbraw/zinc/14/35/70/782143570.db2.gz HPODXPFWOAHZKL-QJPTWQEYSA-N 2 2 300.403 -1.247 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950204 782144571 /nfs/dbraw/zinc/14/45/71/782144571.db2.gz WXMHFZFIRHSVQK-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950204 782144576 /nfs/dbraw/zinc/14/45/76/782144576.db2.gz WXMHFZFIRHSVQK-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198003840 782144634 /nfs/dbraw/zinc/14/46/34/782144634.db2.gz JJSJLDXFECWIFM-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198003840 782144641 /nfs/dbraw/zinc/14/46/41/782144641.db2.gz JJSJLDXFECWIFM-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198003840 782144649 /nfs/dbraw/zinc/14/46/49/782144649.db2.gz JJSJLDXFECWIFM-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198003840 782144656 /nfs/dbraw/zinc/14/46/56/782144656.db2.gz JJSJLDXFECWIFM-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1O ZINC001198019935 782147946 /nfs/dbraw/zinc/14/79/46/782147946.db2.gz DACZTWFSSROROR-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1O ZINC001198019935 782147951 /nfs/dbraw/zinc/14/79/51/782147951.db2.gz DACZTWFSSROROR-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001198019935 782147957 /nfs/dbraw/zinc/14/79/57/782147957.db2.gz DACZTWFSSROROR-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001198019935 782147964 /nfs/dbraw/zinc/14/79/64/782147964.db2.gz DACZTWFSSROROR-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cc[nH+]cc2)[C@@H]2NCN[C@@H]21 ZINC001198561430 782157926 /nfs/dbraw/zinc/15/79/26/782157926.db2.gz OFJQWXRPCQBOEQ-UPJWGTAASA-N 2 2 314.353 -1.600 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671239 782159516 /nfs/dbraw/zinc/15/95/16/782159516.db2.gz DBQMGWXVHOWKCW-JHJVBQTASA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671239 782159523 /nfs/dbraw/zinc/15/95/23/782159523.db2.gz DBQMGWXVHOWKCW-JHJVBQTASA-N 2 2 312.370 -1.640 20 0 DAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699377 782159662 /nfs/dbraw/zinc/15/96/62/782159662.db2.gz OVTJHXOGWQCSJW-MGPQQGTHSA-N 2 2 315.414 -1.238 20 0 DAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699377 782159672 /nfs/dbraw/zinc/15/96/72/782159672.db2.gz OVTJHXOGWQCSJW-MGPQQGTHSA-N 2 2 315.414 -1.238 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654258 782160369 /nfs/dbraw/zinc/16/03/69/782160369.db2.gz QTPFLSCZCIQZEJ-BFHYXJOUSA-N 2 2 324.425 -1.374 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654258 782160373 /nfs/dbraw/zinc/16/03/73/782160373.db2.gz QTPFLSCZCIQZEJ-BFHYXJOUSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654258 782160377 /nfs/dbraw/zinc/16/03/77/782160377.db2.gz QTPFLSCZCIQZEJ-BFHYXJOUSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654258 782160380 /nfs/dbraw/zinc/16/03/80/782160380.db2.gz QTPFLSCZCIQZEJ-BFHYXJOUSA-N 2 2 324.425 -1.374 20 0 DAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000530222845 518199241 /nfs/dbraw/zinc/19/92/41/518199241.db2.gz LSUMCRPQWQFMFB-UHFFFAOYSA-N 2 2 323.397 -1.222 20 0 DAADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849189 523015071 /nfs/dbraw/zinc/01/50/71/523015071.db2.gz QKGLFIPFHNRYGL-WCQYABFASA-N 2 2 320.459 -1.053 20 0 DAADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849189 523015085 /nfs/dbraw/zinc/01/50/85/523015085.db2.gz QKGLFIPFHNRYGL-WCQYABFASA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849189 523015096 /nfs/dbraw/zinc/01/50/96/523015096.db2.gz QKGLFIPFHNRYGL-WCQYABFASA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849189 523015103 /nfs/dbraw/zinc/01/51/03/523015103.db2.gz QKGLFIPFHNRYGL-WCQYABFASA-N 2 2 320.459 -1.053 20 0 DAADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849190 523090931 /nfs/dbraw/zinc/09/09/31/523090931.db2.gz QKGLFIPFHNRYGL-YPMHNXCESA-N 2 2 320.459 -1.053 20 0 DAADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849190 523090937 /nfs/dbraw/zinc/09/09/37/523090937.db2.gz QKGLFIPFHNRYGL-YPMHNXCESA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849190 523090945 /nfs/dbraw/zinc/09/09/45/523090945.db2.gz QKGLFIPFHNRYGL-YPMHNXCESA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849190 523090950 /nfs/dbraw/zinc/09/09/50/523090950.db2.gz QKGLFIPFHNRYGL-YPMHNXCESA-N 2 2 320.459 -1.053 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001198871227 782165924 /nfs/dbraw/zinc/16/59/24/782165924.db2.gz UYSMJVWDFAZWNI-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001198871227 782165931 /nfs/dbraw/zinc/16/59/31/782165931.db2.gz UYSMJVWDFAZWNI-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001198871227 782165937 /nfs/dbraw/zinc/16/59/37/782165937.db2.gz UYSMJVWDFAZWNI-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001198871227 782165943 /nfs/dbraw/zinc/16/59/43/782165943.db2.gz UYSMJVWDFAZWNI-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057497 782168932 /nfs/dbraw/zinc/16/89/32/782168932.db2.gz LADPHQAYKZZWCH-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057497 782168928 /nfs/dbraw/zinc/16/89/28/782168928.db2.gz LADPHQAYKZZWCH-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@H](CO)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000120618744 545644167 /nfs/dbraw/zinc/64/41/67/545644167.db2.gz IQWWVOPQOSFEGG-ZDUSSCGKSA-N 2 2 320.459 -1.275 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668376886 545645164 /nfs/dbraw/zinc/64/51/64/545645164.db2.gz QLVYCAPTQYVFRQ-ZDUSSCGKSA-N 2 2 321.381 -1.068 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662965246 545649220 /nfs/dbraw/zinc/64/92/20/545649220.db2.gz IQICHVCJWFFVNF-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000644632517 545676480 /nfs/dbraw/zinc/67/64/80/545676480.db2.gz XWRWXXIBNAXJKR-GFCCVEGCSA-N 2 2 308.448 -1.137 20 0 DAADLP CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644632517 545676489 /nfs/dbraw/zinc/67/64/89/545676489.db2.gz XWRWXXIBNAXJKR-GFCCVEGCSA-N 2 2 308.448 -1.137 20 0 DAADLP CNS(=O)(=O)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644628866 545677298 /nfs/dbraw/zinc/67/72/98/545677298.db2.gz WQOMTJFVXGCNKM-GRYCIOLGSA-N 2 2 309.432 -1.405 20 0 DAADLP CNS(=O)(=O)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644628866 545677306 /nfs/dbraw/zinc/67/73/06/545677306.db2.gz WQOMTJFVXGCNKM-GRYCIOLGSA-N 2 2 309.432 -1.405 20 0 DAADLP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000342738995 545694533 /nfs/dbraw/zinc/69/45/33/545694533.db2.gz OVWFNOCEGWBUSG-UONOGXRCSA-N 2 2 324.425 -1.107 20 0 DAADLP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000331944543 545728895 /nfs/dbraw/zinc/72/88/95/545728895.db2.gz GKNJXTIKVUYVHN-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000331944543 545728899 /nfs/dbraw/zinc/72/88/99/545728899.db2.gz GKNJXTIKVUYVHN-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000331944543 545728902 /nfs/dbraw/zinc/72/89/02/545728902.db2.gz GKNJXTIKVUYVHN-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000331944543 545728906 /nfs/dbraw/zinc/72/89/06/545728906.db2.gz GKNJXTIKVUYVHN-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362835790 545747370 /nfs/dbraw/zinc/74/73/70/545747370.db2.gz AWICXVNZHSRKTA-LLVKDONJSA-N 2 2 304.416 -1.568 20 0 DAADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362835790 545747374 /nfs/dbraw/zinc/74/73/74/545747374.db2.gz AWICXVNZHSRKTA-LLVKDONJSA-N 2 2 304.416 -1.568 20 0 DAADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832438 545746060 /nfs/dbraw/zinc/74/60/60/545746060.db2.gz ZBSSBFHDNQPVSV-GFCCVEGCSA-N 2 2 318.443 -1.178 20 0 DAADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832438 545746065 /nfs/dbraw/zinc/74/60/65/545746065.db2.gz ZBSSBFHDNQPVSV-GFCCVEGCSA-N 2 2 318.443 -1.178 20 0 DAADLP CC(C)(CNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000368717255 545751534 /nfs/dbraw/zinc/75/15/34/545751534.db2.gz WTUNAODTQNBLTK-STQMWFEESA-N 2 2 315.414 -1.359 20 0 DAADLP CC(C)(CNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000368717255 545751537 /nfs/dbraw/zinc/75/15/37/545751537.db2.gz WTUNAODTQNBLTK-STQMWFEESA-N 2 2 315.414 -1.359 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000532931281 545760148 /nfs/dbraw/zinc/76/01/48/545760148.db2.gz CHCUDQGGIDUKAQ-LBPRGKRZSA-N 2 2 308.386 -1.162 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419432313 545767528 /nfs/dbraw/zinc/76/75/28/545767528.db2.gz YGYAGAHQXJYHGR-XQQFMLRXSA-N 2 2 312.414 -1.063 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC000645978262 545789593 /nfs/dbraw/zinc/78/95/93/545789593.db2.gz ZYJAJKHQUGRSDG-ZDUSSCGKSA-N 3 2 323.441 -1.297 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC000645978262 545789599 /nfs/dbraw/zinc/78/95/99/545789599.db2.gz ZYJAJKHQUGRSDG-ZDUSSCGKSA-N 3 2 323.441 -1.297 20 0 DAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649337590 545801894 /nfs/dbraw/zinc/80/18/94/545801894.db2.gz YIGGIVQLXOJYDT-CXTNEJHOSA-N 2 2 322.409 -1.499 20 0 DAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649337355 545802697 /nfs/dbraw/zinc/80/26/97/545802697.db2.gz FCWYTADBLWWBGL-SYQHCUMBSA-N 2 2 322.409 -1.214 20 0 DAADLP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000568609976 545807074 /nfs/dbraw/zinc/80/70/74/545807074.db2.gz AXBZWGPQTPQWAZ-STQMWFEESA-N 2 2 310.398 -1.166 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000355268779 545818934 /nfs/dbraw/zinc/81/89/34/545818934.db2.gz SBLOYUXKEDSRAO-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000355268779 545818936 /nfs/dbraw/zinc/81/89/36/545818936.db2.gz SBLOYUXKEDSRAO-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658902685 545836079 /nfs/dbraw/zinc/83/60/79/545836079.db2.gz CUYTVDZOQZSXLO-AWEZNQCLSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658902685 545836084 /nfs/dbraw/zinc/83/60/84/545836084.db2.gz CUYTVDZOQZSXLO-AWEZNQCLSA-N 2 2 324.425 -1.182 20 0 DAADLP CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640709 545863711 /nfs/dbraw/zinc/86/37/11/545863711.db2.gz GXEKLVPDOOVUHC-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640709 545863716 /nfs/dbraw/zinc/86/37/16/545863716.db2.gz GXEKLVPDOOVUHC-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685336200 545893982 /nfs/dbraw/zinc/89/39/82/545893982.db2.gz LZQQBBPGEMPSAQ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336200 545893984 /nfs/dbraw/zinc/89/39/84/545893984.db2.gz LZQQBBPGEMPSAQ-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001199104615 782170281 /nfs/dbraw/zinc/17/02/81/782170281.db2.gz PHTRDZVQVAQYJV-VXGBXAGGSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001199104615 782170287 /nfs/dbraw/zinc/17/02/87/782170287.db2.gz PHTRDZVQVAQYJV-VXGBXAGGSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001199104615 782170295 /nfs/dbraw/zinc/17/02/95/782170295.db2.gz PHTRDZVQVAQYJV-VXGBXAGGSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001199104615 782170303 /nfs/dbraw/zinc/17/03/03/782170303.db2.gz PHTRDZVQVAQYJV-VXGBXAGGSA-N 2 2 300.403 -1.424 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111744 782171804 /nfs/dbraw/zinc/17/18/04/782171804.db2.gz KFQGBURKHYZEQA-IJLUTSLNSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111744 782171807 /nfs/dbraw/zinc/17/18/07/782171807.db2.gz KFQGBURKHYZEQA-IJLUTSLNSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111744 782171811 /nfs/dbraw/zinc/17/18/11/782171811.db2.gz KFQGBURKHYZEQA-IJLUTSLNSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111744 782171814 /nfs/dbraw/zinc/17/18/14/782171814.db2.gz KFQGBURKHYZEQA-IJLUTSLNSA-N 2 2 300.403 -1.378 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111833 782171858 /nfs/dbraw/zinc/17/18/58/782171858.db2.gz OLLIUTMIQSANNM-JHJVBQTASA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111833 782171862 /nfs/dbraw/zinc/17/18/62/782171862.db2.gz OLLIUTMIQSANNM-JHJVBQTASA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111833 782171866 /nfs/dbraw/zinc/17/18/66/782171866.db2.gz OLLIUTMIQSANNM-JHJVBQTASA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111833 782171870 /nfs/dbraw/zinc/17/18/70/782171870.db2.gz OLLIUTMIQSANNM-JHJVBQTASA-N 2 2 314.430 -1.035 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@H]2NCN[C@H]21 ZINC001199371297 782176818 /nfs/dbraw/zinc/17/68/18/782176818.db2.gz QHYGALODLJTOBP-BFHYXJOUSA-N 2 2 317.397 -1.186 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020637311 662334411 /nfs/dbraw/zinc/33/44/11/662334411.db2.gz QGWSAXNLSMQYBS-MGCOHNPYSA-N 2 2 320.353 -1.259 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970103583 662342673 /nfs/dbraw/zinc/34/26/73/662342673.db2.gz PSIBKJQJLIBNDL-MWLCHTKSSA-N 2 2 305.338 -1.052 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020929962 662344967 /nfs/dbraw/zinc/34/49/67/662344967.db2.gz JQZLCYKRLRVFFE-MGCOHNPYSA-N 2 2 304.358 -1.077 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001021079526 662354457 /nfs/dbraw/zinc/35/44/57/662354457.db2.gz ACHFLJLETSUYEL-SRVKXCTJSA-N 2 2 323.401 -1.332 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001021079526 662354461 /nfs/dbraw/zinc/35/44/61/662354461.db2.gz ACHFLJLETSUYEL-SRVKXCTJSA-N 2 2 323.401 -1.332 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000970763176 662369720 /nfs/dbraw/zinc/36/97/20/662369720.db2.gz QOMKCDWPZDISNC-VXGBXAGGSA-N 2 2 323.401 -1.379 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000970763176 662369723 /nfs/dbraw/zinc/36/97/23/662369723.db2.gz QOMKCDWPZDISNC-VXGBXAGGSA-N 2 2 323.401 -1.379 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970856235 662373139 /nfs/dbraw/zinc/37/31/39/662373139.db2.gz HCFRVXIPEYJNDT-MNOVXSKESA-N 2 2 305.338 -1.121 20 0 DAADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1)[NH+](C)C ZINC000970952604 662375955 /nfs/dbraw/zinc/37/59/55/662375955.db2.gz SMAVCLKVRXIVAO-AGIUHOORSA-N 2 2 323.397 -1.020 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001021895461 662382291 /nfs/dbraw/zinc/38/22/91/662382291.db2.gz MQKQLSQHLKMOMW-OUAUKWLOSA-N 2 2 308.386 -1.061 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001021895461 662382294 /nfs/dbraw/zinc/38/22/94/662382294.db2.gz MQKQLSQHLKMOMW-OUAUKWLOSA-N 2 2 308.386 -1.061 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021926635 662382812 /nfs/dbraw/zinc/38/28/12/662382812.db2.gz QXBFBOHOFXTWFU-OUAUKWLOSA-N 2 2 309.374 -1.723 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021926635 662382814 /nfs/dbraw/zinc/38/28/14/662382814.db2.gz QXBFBOHOFXTWFU-OUAUKWLOSA-N 2 2 309.374 -1.723 20 0 DAADLP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021926086 662382891 /nfs/dbraw/zinc/38/28/91/662382891.db2.gz BJUIAJNVGYYJAN-TUAOUCFPSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021926086 662382893 /nfs/dbraw/zinc/38/28/93/662382893.db2.gz BJUIAJNVGYYJAN-TUAOUCFPSA-N 2 2 308.386 -1.118 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001021927950 662382957 /nfs/dbraw/zinc/38/29/57/662382957.db2.gz KATMWYAJUIOIHP-NNYUYHANSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001021927950 662382959 /nfs/dbraw/zinc/38/29/59/662382959.db2.gz KATMWYAJUIOIHP-NNYUYHANSA-N 2 2 323.401 -1.162 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021928004 662382972 /nfs/dbraw/zinc/38/29/72/662382972.db2.gz KXFHUKZOJYTERN-GRYCIOLGSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021928004 662382973 /nfs/dbraw/zinc/38/29/73/662382973.db2.gz KXFHUKZOJYTERN-GRYCIOLGSA-N 2 2 308.386 -1.118 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023115130 662431728 /nfs/dbraw/zinc/43/17/28/662431728.db2.gz ACHFLJLETSUYEL-TUAOUCFPSA-N 2 2 323.401 -1.332 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023115130 662431732 /nfs/dbraw/zinc/43/17/32/662431732.db2.gz ACHFLJLETSUYEL-TUAOUCFPSA-N 2 2 323.401 -1.332 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024417070 662472924 /nfs/dbraw/zinc/47/29/24/662472924.db2.gz JNONIJJXZZROIM-YNEHKIRRSA-N 2 2 321.381 -1.477 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001024417070 662472925 /nfs/dbraw/zinc/47/29/25/662472925.db2.gz JNONIJJXZZROIM-YNEHKIRRSA-N 2 2 321.381 -1.477 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719414 662527582 /nfs/dbraw/zinc/52/75/82/662527582.db2.gz UZLFHOUAYTZGGD-IEECTRCBSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719414 662527587 /nfs/dbraw/zinc/52/75/87/662527587.db2.gz UZLFHOUAYTZGGD-IEECTRCBSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719414 662527590 /nfs/dbraw/zinc/52/75/90/662527590.db2.gz UZLFHOUAYTZGGD-IEECTRCBSA-N 2 2 310.398 -1.502 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719414 662527593 /nfs/dbraw/zinc/52/75/93/662527593.db2.gz UZLFHOUAYTZGGD-IEECTRCBSA-N 2 2 310.398 -1.502 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nc1=O ZINC001019775893 662535597 /nfs/dbraw/zinc/53/55/97/662535597.db2.gz LGZQKFXSYOZREI-NSHDSACASA-N 2 2 308.386 -1.105 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147804 662542837 /nfs/dbraw/zinc/54/28/37/662542837.db2.gz OHNJMQLVQBXBBQ-BNDIWNMDSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147804 662542838 /nfs/dbraw/zinc/54/28/38/662542838.db2.gz OHNJMQLVQBXBBQ-BNDIWNMDSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147804 662542839 /nfs/dbraw/zinc/54/28/39/662542839.db2.gz OHNJMQLVQBXBBQ-BNDIWNMDSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147804 662542840 /nfs/dbraw/zinc/54/28/40/662542840.db2.gz OHNJMQLVQBXBBQ-BNDIWNMDSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147806 662543057 /nfs/dbraw/zinc/54/30/57/662543057.db2.gz OHNJMQLVQBXBBQ-KIJLLGNVSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147806 662543059 /nfs/dbraw/zinc/54/30/59/662543059.db2.gz OHNJMQLVQBXBBQ-KIJLLGNVSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147806 662543061 /nfs/dbraw/zinc/54/30/61/662543061.db2.gz OHNJMQLVQBXBBQ-KIJLLGNVSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147806 662543063 /nfs/dbraw/zinc/54/30/63/662543063.db2.gz OHNJMQLVQBXBBQ-KIJLLGNVSA-N 2 2 310.398 -1.373 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805121 662624916 /nfs/dbraw/zinc/62/49/16/662624916.db2.gz NOIQIXOCNBSMNB-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805121 662624919 /nfs/dbraw/zinc/62/49/19/662624919.db2.gz NOIQIXOCNBSMNB-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805121 662624921 /nfs/dbraw/zinc/62/49/21/662624921.db2.gz NOIQIXOCNBSMNB-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805121 662624924 /nfs/dbraw/zinc/62/49/24/662624924.db2.gz NOIQIXOCNBSMNB-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037343 662641916 /nfs/dbraw/zinc/64/19/16/662641916.db2.gz VIIYUTMQHMIHMT-WULFKBJJSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037343 662641917 /nfs/dbraw/zinc/64/19/17/662641917.db2.gz VIIYUTMQHMIHMT-WULFKBJJSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037343 662641918 /nfs/dbraw/zinc/64/19/18/662641918.db2.gz VIIYUTMQHMIHMT-WULFKBJJSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037343 662641919 /nfs/dbraw/zinc/64/19/19/662641919.db2.gz VIIYUTMQHMIHMT-WULFKBJJSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037342 662642101 /nfs/dbraw/zinc/64/21/01/662642101.db2.gz VIIYUTMQHMIHMT-LGESCRJUSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037342 662642102 /nfs/dbraw/zinc/64/21/02/662642102.db2.gz VIIYUTMQHMIHMT-LGESCRJUSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037342 662642104 /nfs/dbraw/zinc/64/21/04/662642104.db2.gz VIIYUTMQHMIHMT-LGESCRJUSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037342 662642105 /nfs/dbraw/zinc/64/21/05/662642105.db2.gz VIIYUTMQHMIHMT-LGESCRJUSA-N 2 2 322.409 -1.085 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@]3(C)C[NH+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245604 662653008 /nfs/dbraw/zinc/65/30/08/662653008.db2.gz LONOXVTYZHCSGP-WQVCFCJDSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@]3(C)C[NH+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245604 662653009 /nfs/dbraw/zinc/65/30/09/662653009.db2.gz LONOXVTYZHCSGP-WQVCFCJDSA-N 2 2 324.425 -1.027 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245604 662653011 /nfs/dbraw/zinc/65/30/11/662653011.db2.gz LONOXVTYZHCSGP-WQVCFCJDSA-N 2 2 324.425 -1.027 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245604 662653012 /nfs/dbraw/zinc/65/30/12/662653012.db2.gz LONOXVTYZHCSGP-WQVCFCJDSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464875 662672499 /nfs/dbraw/zinc/67/24/99/662672499.db2.gz GRPINOKVUPZBPW-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464875 662672501 /nfs/dbraw/zinc/67/25/01/662672501.db2.gz GRPINOKVUPZBPW-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464875 662672504 /nfs/dbraw/zinc/67/25/04/662672504.db2.gz GRPINOKVUPZBPW-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464875 662672506 /nfs/dbraw/zinc/67/25/06/662672506.db2.gz GRPINOKVUPZBPW-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990568941 662765902 /nfs/dbraw/zinc/76/59/02/662765902.db2.gz AGTIDTNSJRMTDS-GFCCVEGCSA-N 2 2 323.401 -1.379 20 0 DAADLP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990568941 662765904 /nfs/dbraw/zinc/76/59/04/662765904.db2.gz AGTIDTNSJRMTDS-GFCCVEGCSA-N 2 2 323.401 -1.379 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990615596 662767338 /nfs/dbraw/zinc/76/73/38/662767338.db2.gz CZVBXJXEFHEYED-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990615596 662767339 /nfs/dbraw/zinc/76/73/39/662767339.db2.gz CZVBXJXEFHEYED-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990615596 662767340 /nfs/dbraw/zinc/76/73/40/662767340.db2.gz CZVBXJXEFHEYED-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990615596 662767341 /nfs/dbraw/zinc/76/73/41/662767341.db2.gz CZVBXJXEFHEYED-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990615600 662767791 /nfs/dbraw/zinc/76/77/91/662767791.db2.gz CZVBXJXEFHEYED-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990615600 662767793 /nfs/dbraw/zinc/76/77/93/662767793.db2.gz CZVBXJXEFHEYED-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990615600 662767795 /nfs/dbraw/zinc/76/77/95/662767795.db2.gz CZVBXJXEFHEYED-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990615600 662767797 /nfs/dbraw/zinc/76/77/97/662767797.db2.gz CZVBXJXEFHEYED-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990630249 662769401 /nfs/dbraw/zinc/76/94/01/662769401.db2.gz LZKBUABYRDNURH-CYBMUJFWSA-N 2 2 321.381 -1.151 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990630249 662769404 /nfs/dbraw/zinc/76/94/04/662769404.db2.gz LZKBUABYRDNURH-CYBMUJFWSA-N 2 2 321.381 -1.151 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCN1C(=O)CNC1=O ZINC001038114471 662769816 /nfs/dbraw/zinc/76/98/16/662769816.db2.gz FVFOUJUAEROVKO-RYUDHWBXSA-N 2 2 323.397 -1.177 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCN1C(=O)CNC1=O ZINC001038114471 662769821 /nfs/dbraw/zinc/76/98/21/662769821.db2.gz FVFOUJUAEROVKO-RYUDHWBXSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001038114471 662769824 /nfs/dbraw/zinc/76/98/24/662769824.db2.gz FVFOUJUAEROVKO-RYUDHWBXSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001038114471 662769826 /nfs/dbraw/zinc/76/98/26/662769826.db2.gz FVFOUJUAEROVKO-RYUDHWBXSA-N 2 2 323.397 -1.177 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC000904989455 662793954 /nfs/dbraw/zinc/79/39/54/662793954.db2.gz YIPZIPMBJIWLQX-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000905024237 662794518 /nfs/dbraw/zinc/79/45/18/662794518.db2.gz VPCZNMSQFJSNIL-ZIAGYGMSSA-N 2 2 322.409 -1.094 20 0 DAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000911015936 663136082 /nfs/dbraw/zinc/13/60/82/663136082.db2.gz TUZKSZUQEYHBAG-ZDUSSCGKSA-N 2 2 323.397 -1.084 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000911137340 663137264 /nfs/dbraw/zinc/13/72/64/663137264.db2.gz FHDKFFUASSRGRW-GFCCVEGCSA-N 2 2 309.370 -1.245 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911413565 663143930 /nfs/dbraw/zinc/14/39/30/663143930.db2.gz VPMRMUIHZNGCBW-UHFFFAOYSA-N 2 2 311.430 -1.310 20 0 DAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000911506874 663148176 /nfs/dbraw/zinc/14/81/76/663148176.db2.gz SVFCIQMNIMVGCH-LBPRGKRZSA-N 2 2 310.398 -1.083 20 0 DAADLP O=C(CCCC[NH+]1CCOCC1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913184292 663156451 /nfs/dbraw/zinc/15/64/51/663156451.db2.gz CDSJWAHYYLGNQC-HNNXBMFYSA-N 2 2 315.414 -1.044 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000913684151 663235758 /nfs/dbraw/zinc/23/57/58/663235758.db2.gz IVBPJHGYYHESBT-CQSZACIVSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913684476 663235998 /nfs/dbraw/zinc/23/59/98/663235998.db2.gz XJADUHJKEGHENS-SWLSCSKDSA-N 2 2 312.414 -1.326 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000913684476 663235999 /nfs/dbraw/zinc/23/59/99/663235999.db2.gz XJADUHJKEGHENS-SWLSCSKDSA-N 2 2 312.414 -1.326 20 0 DAADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000929864118 663255324 /nfs/dbraw/zinc/25/53/24/663255324.db2.gz UMFJSBNNXMXPHP-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000929864118 663255325 /nfs/dbraw/zinc/25/53/25/663255325.db2.gz UMFJSBNNXMXPHP-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689306 663307756 /nfs/dbraw/zinc/30/77/56/663307756.db2.gz SFOVGUWXNMPSTF-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689306 663307762 /nfs/dbraw/zinc/30/77/62/663307762.db2.gz SFOVGUWXNMPSTF-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)O1 ZINC001031765934 663340343 /nfs/dbraw/zinc/34/03/43/663340343.db2.gz VOCFVXQJTVUDHZ-KWCYVHTRSA-N 2 2 324.425 -1.016 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)O1 ZINC001031765934 663340348 /nfs/dbraw/zinc/34/03/48/663340348.db2.gz VOCFVXQJTVUDHZ-KWCYVHTRSA-N 2 2 324.425 -1.016 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031920167 663383463 /nfs/dbraw/zinc/38/34/63/663383463.db2.gz USEVSMDBTICLQD-ZDUSSCGKSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031920167 663383466 /nfs/dbraw/zinc/38/34/66/663383466.db2.gz USEVSMDBTICLQD-ZDUSSCGKSA-N 2 2 312.414 -1.110 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)C1 ZINC001032201697 663451634 /nfs/dbraw/zinc/45/16/34/663451634.db2.gz IPIQXFPJAOCIAZ-ZDUSSCGKSA-N 2 2 312.414 -1.157 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)C1 ZINC001032201697 663451636 /nfs/dbraw/zinc/45/16/36/663451636.db2.gz IPIQXFPJAOCIAZ-ZDUSSCGKSA-N 2 2 312.414 -1.157 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032202187 663452015 /nfs/dbraw/zinc/45/20/15/663452015.db2.gz OXDYKUCVGQUQJR-CHWSQXEVSA-N 2 2 310.398 -1.356 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032202187 663452018 /nfs/dbraw/zinc/45/20/18/663452018.db2.gz OXDYKUCVGQUQJR-CHWSQXEVSA-N 2 2 310.398 -1.356 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032202195 663452226 /nfs/dbraw/zinc/45/22/26/663452226.db2.gz OXDYKUCVGQUQJR-QWHCGFSZSA-N 2 2 310.398 -1.356 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032202195 663452228 /nfs/dbraw/zinc/45/22/28/663452228.db2.gz OXDYKUCVGQUQJR-QWHCGFSZSA-N 2 2 310.398 -1.356 20 0 DAADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998584974 663545088 /nfs/dbraw/zinc/54/50/88/663545088.db2.gz IKJTXKMDWPZKLL-HTAVTVPLSA-N 2 2 323.401 -1.380 20 0 DAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998584974 663545091 /nfs/dbraw/zinc/54/50/91/663545091.db2.gz IKJTXKMDWPZKLL-HTAVTVPLSA-N 2 2 323.401 -1.380 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550166 663588941 /nfs/dbraw/zinc/58/89/41/663588941.db2.gz IKHFIXHHCYIFQS-KGLIPLIRSA-N 2 2 322.409 -1.046 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550166 663588945 /nfs/dbraw/zinc/58/89/45/663588945.db2.gz IKHFIXHHCYIFQS-KGLIPLIRSA-N 2 2 322.409 -1.046 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550166 663588949 /nfs/dbraw/zinc/58/89/49/663588949.db2.gz IKHFIXHHCYIFQS-KGLIPLIRSA-N 2 2 322.409 -1.046 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550166 663588954 /nfs/dbraw/zinc/58/89/54/663588954.db2.gz IKHFIXHHCYIFQS-KGLIPLIRSA-N 2 2 322.409 -1.046 20 0 DAADLP CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000548527 663589070 /nfs/dbraw/zinc/58/90/70/663589070.db2.gz VTAJFWPFWPCWAI-CYBMUJFWSA-N 2 2 310.398 -1.189 20 0 DAADLP CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000548527 663589074 /nfs/dbraw/zinc/58/90/74/663589074.db2.gz VTAJFWPFWPCWAI-CYBMUJFWSA-N 2 2 310.398 -1.189 20 0 DAADLP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000548527 663589076 /nfs/dbraw/zinc/58/90/76/663589076.db2.gz VTAJFWPFWPCWAI-CYBMUJFWSA-N 2 2 310.398 -1.189 20 0 DAADLP CNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000548527 663589078 /nfs/dbraw/zinc/58/90/78/663589078.db2.gz VTAJFWPFWPCWAI-CYBMUJFWSA-N 2 2 310.398 -1.189 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001001461015 663602197 /nfs/dbraw/zinc/60/21/97/663602197.db2.gz FUDGUSIVDJLLNG-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001001461015 663602199 /nfs/dbraw/zinc/60/21/99/663602199.db2.gz FUDGUSIVDJLLNG-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001001461015 663602200 /nfs/dbraw/zinc/60/22/00/663602200.db2.gz FUDGUSIVDJLLNG-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001001461015 663602201 /nfs/dbraw/zinc/60/22/01/663602201.db2.gz FUDGUSIVDJLLNG-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946927262 663698903 /nfs/dbraw/zinc/69/89/03/663698903.db2.gz FOOAARVCSKDCCX-GFCCVEGCSA-N 2 2 321.381 -1.216 20 0 DAADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000807283825 663845977 /nfs/dbraw/zinc/84/59/77/663845977.db2.gz KUHCXPFARSQVGN-OLZOCXBDSA-N 2 2 321.381 -1.069 20 0 DAADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000807283825 663845979 /nfs/dbraw/zinc/84/59/79/663845979.db2.gz KUHCXPFARSQVGN-OLZOCXBDSA-N 2 2 321.381 -1.069 20 0 DAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000817917130 663854048 /nfs/dbraw/zinc/85/40/48/663854048.db2.gz LDKZQKZKCZLMCQ-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC[NH+]1CCOCC1 ZINC000825297940 663864182 /nfs/dbraw/zinc/86/41/82/663864182.db2.gz HPQLRDHCWWTTQN-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863751300 663926039 /nfs/dbraw/zinc/92/60/39/663926039.db2.gz GRDJAGPSEUDQSK-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000863774011 663927126 /nfs/dbraw/zinc/92/71/26/663927126.db2.gz NSLYNKSMHXACHS-VXGBXAGGSA-N 2 2 316.402 -2.057 20 0 DAADLP C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000923619685 663936768 /nfs/dbraw/zinc/93/67/68/663936768.db2.gz KNWREVSLGWBTOM-CYBMUJFWSA-N 2 2 319.475 -1.391 20 0 DAADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873266375 663941052 /nfs/dbraw/zinc/94/10/52/663941052.db2.gz MYDBRLLQNUGFTQ-IPYPFGDCSA-N 2 2 313.398 -1.029 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745066 663946789 /nfs/dbraw/zinc/94/67/89/663946789.db2.gz YPZKOZZVQAMALP-JHJVBQTASA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745066 663946791 /nfs/dbraw/zinc/94/67/91/663946791.db2.gz YPZKOZZVQAMALP-JHJVBQTASA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745065 663947240 /nfs/dbraw/zinc/94/72/40/663947240.db2.gz YPZKOZZVQAMALP-FRRDWIJNSA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745065 663947248 /nfs/dbraw/zinc/94/72/48/663947248.db2.gz YPZKOZZVQAMALP-FRRDWIJNSA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745064 663947793 /nfs/dbraw/zinc/94/77/93/663947793.db2.gz YPZKOZZVQAMALP-AGIUHOORSA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1=O ZINC000876745064 663947797 /nfs/dbraw/zinc/94/77/97/663947797.db2.gz YPZKOZZVQAMALP-AGIUHOORSA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877103388 663949268 /nfs/dbraw/zinc/94/92/68/663949268.db2.gz NIWDPRVRAAWSAN-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877103387 663949476 /nfs/dbraw/zinc/94/94/76/663949476.db2.gz NIWDPRVRAAWSAN-OLZOCXBDSA-N 2 2 312.414 -1.027 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337418 663949924 /nfs/dbraw/zinc/94/99/24/663949924.db2.gz PZEZTEMFAVAGHJ-GFCCVEGCSA-N 2 2 310.398 -1.307 20 0 DAADLP CCN(C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068581 663975611 /nfs/dbraw/zinc/97/56/11/663975611.db2.gz OILBXBZHMAQJGA-QWHCGFSZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000925414694 663981448 /nfs/dbraw/zinc/98/14/48/663981448.db2.gz BBPIPGZOODUAKX-RYUDHWBXSA-N 2 2 313.402 -1.482 20 0 DAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000925414694 663981450 /nfs/dbraw/zinc/98/14/50/663981450.db2.gz BBPIPGZOODUAKX-RYUDHWBXSA-N 2 2 313.402 -1.482 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000925414694 663981452 /nfs/dbraw/zinc/98/14/52/663981452.db2.gz BBPIPGZOODUAKX-RYUDHWBXSA-N 2 2 313.402 -1.482 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000925414694 663981453 /nfs/dbraw/zinc/98/14/53/663981453.db2.gz BBPIPGZOODUAKX-RYUDHWBXSA-N 2 2 313.402 -1.482 20 0 DAADLP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000926294968 663981723 /nfs/dbraw/zinc/98/17/23/663981723.db2.gz LRQYWXFQDRFNQX-OAHLLOKOSA-N 2 2 310.398 -1.395 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926410778 663984242 /nfs/dbraw/zinc/98/42/42/663984242.db2.gz ARRHIEWRAKVSPA-STQMWFEESA-N 2 2 312.414 -1.291 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929259240 663988131 /nfs/dbraw/zinc/98/81/31/663988131.db2.gz VIAJGDJSFRCRTK-DZGCQCFKSA-N 2 2 315.414 -1.405 20 0 DAADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931879253 663995974 /nfs/dbraw/zinc/99/59/74/663995974.db2.gz WUJGMZVUNSTBMG-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931879253 663995976 /nfs/dbraw/zinc/99/59/76/663995976.db2.gz WUJGMZVUNSTBMG-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222388 664247842 /nfs/dbraw/zinc/24/78/42/664247842.db2.gz CGTQTEYQIRVZDK-AAEUAGOBSA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222388 664247846 /nfs/dbraw/zinc/24/78/46/664247846.db2.gz CGTQTEYQIRVZDK-AAEUAGOBSA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958222389 664248182 /nfs/dbraw/zinc/24/81/82/664248182.db2.gz CGTQTEYQIRVZDK-DGCLKSJQSA-N 2 2 317.349 -1.158 20 0 DAADLP NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958222389 664248184 /nfs/dbraw/zinc/24/81/84/664248184.db2.gz CGTQTEYQIRVZDK-DGCLKSJQSA-N 2 2 317.349 -1.158 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469678 664268209 /nfs/dbraw/zinc/26/82/09/664268209.db2.gz KLPVTIJIZAURFY-COMQUAJESA-N 2 2 322.409 -1.404 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469678 664268211 /nfs/dbraw/zinc/26/82/11/664268211.db2.gz KLPVTIJIZAURFY-COMQUAJESA-N 2 2 322.409 -1.404 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469678 664268213 /nfs/dbraw/zinc/26/82/13/664268213.db2.gz KLPVTIJIZAURFY-COMQUAJESA-N 2 2 322.409 -1.404 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469678 664268217 /nfs/dbraw/zinc/26/82/17/664268217.db2.gz KLPVTIJIZAURFY-COMQUAJESA-N 2 2 322.409 -1.404 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958598031 664280843 /nfs/dbraw/zinc/28/08/43/664280843.db2.gz HHSVVTHDXBEPBU-GWCFXTLKSA-N 2 2 321.381 -1.345 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958598031 664280844 /nfs/dbraw/zinc/28/08/44/664280844.db2.gz HHSVVTHDXBEPBU-GWCFXTLKSA-N 2 2 321.381 -1.345 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958598035 664280944 /nfs/dbraw/zinc/28/09/44/664280944.db2.gz HHSVVTHDXBEPBU-MFKMUULPSA-N 2 2 321.381 -1.345 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958598035 664280947 /nfs/dbraw/zinc/28/09/47/664280947.db2.gz 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C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001010427656 664515782 /nfs/dbraw/zinc/51/57/82/664515782.db2.gz MMUVLBDNUJEGMG-CHWSQXEVSA-N 2 2 308.386 -1.201 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427656 664515784 /nfs/dbraw/zinc/51/57/84/664515784.db2.gz MMUVLBDNUJEGMG-CHWSQXEVSA-N 2 2 308.386 -1.201 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001014922360 664558748 /nfs/dbraw/zinc/55/87/48/664558748.db2.gz BVQRAJCSONJAEC-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)O1 ZINC001014922360 664558745 /nfs/dbraw/zinc/55/87/45/664558745.db2.gz BVQRAJCSONJAEC-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)O1 ZINC001014922360 664558746 /nfs/dbraw/zinc/55/87/46/664558746.db2.gz BVQRAJCSONJAEC-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001014922360 664558747 /nfs/dbraw/zinc/55/87/47/664558747.db2.gz BVQRAJCSONJAEC-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001015826418 664568555 /nfs/dbraw/zinc/56/85/55/664568555.db2.gz GIRZBVAKSXZOPV-LBPRGKRZSA-N 2 2 308.386 -1.266 20 0 DAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001015826418 664568557 /nfs/dbraw/zinc/56/85/57/664568557.db2.gz GIRZBVAKSXZOPV-LBPRGKRZSA-N 2 2 308.386 -1.266 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018663793 664588922 /nfs/dbraw/zinc/58/89/22/664588922.db2.gz PSDJQLVREKHTEV-AAEUAGOBSA-N 2 2 308.386 -1.164 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018663793 664588925 /nfs/dbraw/zinc/58/89/25/664588925.db2.gz PSDJQLVREKHTEV-AAEUAGOBSA-N 2 2 308.386 -1.164 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001019031071 664593589 /nfs/dbraw/zinc/59/35/89/664593589.db2.gz FVXDHRGAFLETHV-GRYCIOLGSA-N 2 2 323.401 -1.380 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001019031071 664593592 /nfs/dbraw/zinc/59/35/92/664593592.db2.gz FVXDHRGAFLETHV-GRYCIOLGSA-N 2 2 323.401 -1.380 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019438611 664600793 /nfs/dbraw/zinc/60/07/93/664600793.db2.gz PSIBKJQJLIBNDL-ONGXEEELSA-N 2 2 305.338 -1.052 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019435542 664600807 /nfs/dbraw/zinc/60/08/07/664600807.db2.gz IJOMRLQOHXOCNV-JTQLQIEISA-N 2 2 320.353 -1.306 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947981 677689796 /nfs/dbraw/zinc/68/97/96/677689796.db2.gz FPLGFRKIMYKEAY-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947981 677689797 /nfs/dbraw/zinc/68/97/97/677689797.db2.gz FPLGFRKIMYKEAY-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251834 677793997 /nfs/dbraw/zinc/79/39/97/677793997.db2.gz RDZMIGQESDHFBH-MRVWCRGKSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251834 677794000 /nfs/dbraw/zinc/79/40/00/677794000.db2.gz RDZMIGQESDHFBH-MRVWCRGKSA-N 2 2 308.382 -1.011 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058547580 677683239 /nfs/dbraw/zinc/68/32/39/677683239.db2.gz MWLHGLHKPQOXEO-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058547580 677683240 /nfs/dbraw/zinc/68/32/40/677683240.db2.gz MWLHGLHKPQOXEO-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083291040 677686683 /nfs/dbraw/zinc/68/66/83/677686683.db2.gz KZJIGYOYELCJFL-FRRDWIJNSA-N 2 2 319.365 -1.317 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083291040 677686684 /nfs/dbraw/zinc/68/66/84/677686684.db2.gz KZJIGYOYELCJFL-FRRDWIJNSA-N 2 2 319.365 -1.317 20 0 DAADLP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001058711022 677687130 /nfs/dbraw/zinc/68/71/30/677687130.db2.gz ZKWWEUBMRTXTAF-UHFFFAOYSA-N 2 2 311.386 -1.159 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001058948986 677689823 /nfs/dbraw/zinc/68/98/23/677689823.db2.gz INXFPXCAJUVWSH-LBPRGKRZSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001058948986 677689824 /nfs/dbraw/zinc/68/98/24/677689824.db2.gz INXFPXCAJUVWSH-LBPRGKRZSA-N 2 2 323.397 -1.159 20 0 DAADLP O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058949376 677689934 /nfs/dbraw/zinc/68/99/34/677689934.db2.gz SSLMFFMPEDZAIH-UHFFFAOYSA-N 2 2 323.397 -1.015 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077022439 677779695 /nfs/dbraw/zinc/77/96/95/677779695.db2.gz ADLAHFBNILIZKH-AAVRWANBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)CC[N@H+]1C ZINC001077022439 677779699 /nfs/dbraw/zinc/77/96/99/677779699.db2.gz ADLAHFBNILIZKH-AAVRWANBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC[NH+]1C ZINC001077022439 677779702 /nfs/dbraw/zinc/77/97/02/677779702.db2.gz ADLAHFBNILIZKH-AAVRWANBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC[NH+]1C ZINC001077022439 677779705 /nfs/dbraw/zinc/77/97/05/677779705.db2.gz ADLAHFBNILIZKH-AAVRWANBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)O1 ZINC001077221087 677792191 /nfs/dbraw/zinc/79/21/91/677792191.db2.gz AELFZYPVSVWJDX-FDYHWXHSSA-N 2 2 301.387 -1.751 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)O1 ZINC001077221087 677792194 /nfs/dbraw/zinc/79/21/94/677792194.db2.gz AELFZYPVSVWJDX-FDYHWXHSSA-N 2 2 301.387 -1.751 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)O1 ZINC001077221087 677792198 /nfs/dbraw/zinc/79/21/98/677792198.db2.gz AELFZYPVSVWJDX-FDYHWXHSSA-N 2 2 301.387 -1.751 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)O1 ZINC001077221087 677792201 /nfs/dbraw/zinc/79/22/01/677792201.db2.gz AELFZYPVSVWJDX-FDYHWXHSSA-N 2 2 301.387 -1.751 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259452 677794360 /nfs/dbraw/zinc/79/43/60/677794360.db2.gz RNPQNVNRTAMYIQ-YNEHKIRRSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259452 677794362 /nfs/dbraw/zinc/79/43/62/677794362.db2.gz RNPQNVNRTAMYIQ-YNEHKIRRSA-N 2 2 308.382 -1.011 20 0 DAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275064 677795131 /nfs/dbraw/zinc/79/51/31/677795131.db2.gz PTFVIIDGCPGYEU-ZWKOPEQDSA-N 2 2 312.370 -1.108 20 0 DAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275064 677795137 /nfs/dbraw/zinc/79/51/37/677795137.db2.gz PTFVIIDGCPGYEU-ZWKOPEQDSA-N 2 2 312.370 -1.108 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580123 677804485 /nfs/dbraw/zinc/80/44/85/677804485.db2.gz RDZMIGQESDHFBH-YUTCNCBUSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580123 677804489 /nfs/dbraw/zinc/80/44/89/677804489.db2.gz RDZMIGQESDHFBH-YUTCNCBUSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083647678 677816146 /nfs/dbraw/zinc/81/61/46/677816146.db2.gz NAMKPHXSPUIBDP-OCCSQVGLSA-N 2 2 308.382 -1.085 20 0 DAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083647678 677816149 /nfs/dbraw/zinc/81/61/49/677816149.db2.gz NAMKPHXSPUIBDP-OCCSQVGLSA-N 2 2 308.382 -1.085 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723283 677847727 /nfs/dbraw/zinc/84/77/27/677847727.db2.gz CUQQTKUETZSMPH-RDBSUJKOSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723283 677847729 /nfs/dbraw/zinc/84/77/29/677847729.db2.gz CUQQTKUETZSMPH-RDBSUJKOSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723283 677847732 /nfs/dbraw/zinc/84/77/32/677847732.db2.gz CUQQTKUETZSMPH-RDBSUJKOSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083723460 677847780 /nfs/dbraw/zinc/84/77/80/677847780.db2.gz LISFNJYFTIOLHJ-RDBSUJKOSA-N 2 2 315.414 -1.361 20 0 DAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)CC2 ZINC001083733773 677851033 /nfs/dbraw/zinc/85/10/33/677851033.db2.gz CXJKMSCWMPPNKO-BNOWGMLFSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083733773 677851036 /nfs/dbraw/zinc/85/10/36/677851036.db2.gz CXJKMSCWMPPNKO-BNOWGMLFSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)CC2 ZINC001083733774 677851232 /nfs/dbraw/zinc/85/12/32/677851232.db2.gz CXJKMSCWMPPNKO-YUTCNCBUSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083733774 677851236 /nfs/dbraw/zinc/85/12/36/677851236.db2.gz CXJKMSCWMPPNKO-YUTCNCBUSA-N 2 2 308.382 -1.092 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750018 677855806 /nfs/dbraw/zinc/85/58/06/677855806.db2.gz BTSBHHXWVJAZND-UPJWGTAASA-N 2 2 312.414 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750018 677855809 /nfs/dbraw/zinc/85/58/09/677855809.db2.gz BTSBHHXWVJAZND-UPJWGTAASA-N 2 2 312.414 -1.247 20 0 DAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C2 ZINC001083781291 677863440 /nfs/dbraw/zinc/86/34/40/677863440.db2.gz AZQDBTZUOAJRPH-YUTCNCBUSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C2 ZINC001083781291 677863445 /nfs/dbraw/zinc/86/34/45/677863445.db2.gz AZQDBTZUOAJRPH-YUTCNCBUSA-N 2 2 308.382 -1.092 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618222 677869713 /nfs/dbraw/zinc/86/97/13/677869713.db2.gz BTSBHHXWVJAZND-JHJVBQTASA-N 2 2 312.414 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618222 677869715 /nfs/dbraw/zinc/86/97/15/677869715.db2.gz BTSBHHXWVJAZND-JHJVBQTASA-N 2 2 312.414 -1.247 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612406 677869847 /nfs/dbraw/zinc/86/98/47/677869847.db2.gz GRTLFZJLCAUEGI-CHWSQXEVSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612406 677869850 /nfs/dbraw/zinc/86/98/50/677869850.db2.gz GRTLFZJLCAUEGI-CHWSQXEVSA-N 2 2 312.414 -1.422 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679302 677872846 /nfs/dbraw/zinc/87/28/46/677872846.db2.gz NMGRYKYCFASFKR-MGPQQGTHSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679302 677872849 /nfs/dbraw/zinc/87/28/49/677872849.db2.gz NMGRYKYCFASFKR-MGPQQGTHSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679302 677872850 /nfs/dbraw/zinc/87/28/50/677872850.db2.gz NMGRYKYCFASFKR-MGPQQGTHSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679302 677872852 /nfs/dbraw/zinc/87/28/52/677872852.db2.gz NMGRYKYCFASFKR-MGPQQGTHSA-N 2 2 322.413 -1.219 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077778651 677880672 /nfs/dbraw/zinc/88/06/72/677880672.db2.gz VIMVXZJLGKQKGG-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077778651 677880674 /nfs/dbraw/zinc/88/06/74/677880674.db2.gz VIMVXZJLGKQKGG-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778410 677880923 /nfs/dbraw/zinc/88/09/23/677880923.db2.gz IICAUZNBVVUQEB-CYZMBNFOSA-N 2 2 312.414 -1.247 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778410 677880926 /nfs/dbraw/zinc/88/09/26/677880926.db2.gz IICAUZNBVVUQEB-CYZMBNFOSA-N 2 2 312.414 -1.247 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012292 677904357 /nfs/dbraw/zinc/90/43/57/677904357.db2.gz ZPNWYOKSCIJZCU-QJPTWQEYSA-N 2 2 310.398 -1.622 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012292 677904360 /nfs/dbraw/zinc/90/43/60/677904360.db2.gz ZPNWYOKSCIJZCU-QJPTWQEYSA-N 2 2 310.398 -1.622 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006101 677904373 /nfs/dbraw/zinc/90/43/73/677904373.db2.gz SCZRJYSAXRBRKY-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078006101 677904375 /nfs/dbraw/zinc/90/43/75/677904375.db2.gz SCZRJYSAXRBRKY-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006101 677904377 /nfs/dbraw/zinc/90/43/77/677904377.db2.gz SCZRJYSAXRBRKY-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006101 677904379 /nfs/dbraw/zinc/90/43/79/677904379.db2.gz SCZRJYSAXRBRKY-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005724 677904411 /nfs/dbraw/zinc/90/44/11/677904411.db2.gz HBFXJJKKRBTWLC-IACUBPJLSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005724 677904413 /nfs/dbraw/zinc/90/44/13/677904413.db2.gz HBFXJJKKRBTWLC-IACUBPJLSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005724 677904414 /nfs/dbraw/zinc/90/44/14/677904414.db2.gz HBFXJJKKRBTWLC-IACUBPJLSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005724 677904415 /nfs/dbraw/zinc/90/44/15/677904415.db2.gz HBFXJJKKRBTWLC-IACUBPJLSA-N 2 2 324.425 -1.232 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012945 677904700 /nfs/dbraw/zinc/90/47/00/677904700.db2.gz JMMIQJZTHLWLED-JHJVBQTASA-N 2 2 322.409 -1.478 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012945 677904705 /nfs/dbraw/zinc/90/47/05/677904705.db2.gz JMMIQJZTHLWLED-JHJVBQTASA-N 2 2 322.409 -1.478 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174751 677916977 /nfs/dbraw/zinc/91/69/77/677916977.db2.gz REIMSKFMANOXKH-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174751 677916979 /nfs/dbraw/zinc/91/69/79/677916979.db2.gz REIMSKFMANOXKH-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174751 677916981 /nfs/dbraw/zinc/91/69/81/677916981.db2.gz REIMSKFMANOXKH-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174751 677916982 /nfs/dbraw/zinc/91/69/82/677916982.db2.gz REIMSKFMANOXKH-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001078182309 677918835 /nfs/dbraw/zinc/91/88/35/677918835.db2.gz OWQOSEHRWYPLDW-JHJVBQTASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001078182309 677918836 /nfs/dbraw/zinc/91/88/36/677918836.db2.gz OWQOSEHRWYPLDW-JHJVBQTASA-N 2 2 321.381 -1.416 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182436 677919210 /nfs/dbraw/zinc/91/92/10/677919210.db2.gz VOGXMQZTIYRSEU-IJLUTSLNSA-N 2 2 309.370 -1.383 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182436 677919214 /nfs/dbraw/zinc/91/92/14/677919214.db2.gz VOGXMQZTIYRSEU-IJLUTSLNSA-N 2 2 309.370 -1.383 20 0 DAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593182 678037207 /nfs/dbraw/zinc/03/72/07/678037207.db2.gz NALBXJNKLUTZOA-DGCLKSJQSA-N 2 2 322.413 -1.020 20 0 DAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593182 678037210 /nfs/dbraw/zinc/03/72/10/678037210.db2.gz NALBXJNKLUTZOA-DGCLKSJQSA-N 2 2 322.413 -1.020 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081694783 678103321 /nfs/dbraw/zinc/10/33/21/678103321.db2.gz AZZUXDRKZUERIH-NEPJUHHUSA-N 2 2 323.397 -1.161 20 0 DAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082058163 678110133 /nfs/dbraw/zinc/11/01/33/678110133.db2.gz UKSLODDAQQSWKM-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082058163 678110136 /nfs/dbraw/zinc/11/01/36/678110136.db2.gz UKSLODDAQQSWKM-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082058163 678110138 /nfs/dbraw/zinc/11/01/38/678110138.db2.gz UKSLODDAQQSWKM-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082058163 678110139 /nfs/dbraw/zinc/11/01/39/678110139.db2.gz UKSLODDAQQSWKM-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082058162 678110143 /nfs/dbraw/zinc/11/01/43/678110143.db2.gz UKSLODDAQQSWKM-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082058162 678110145 /nfs/dbraw/zinc/11/01/45/678110145.db2.gz UKSLODDAQQSWKM-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082058162 678110148 /nfs/dbraw/zinc/11/01/48/678110148.db2.gz UKSLODDAQQSWKM-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082058162 678110149 /nfs/dbraw/zinc/11/01/49/678110149.db2.gz UKSLODDAQQSWKM-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082325970 678115403 /nfs/dbraw/zinc/11/54/03/678115403.db2.gz IPGUTWRCRQVBTB-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082325970 678115405 /nfs/dbraw/zinc/11/54/05/678115405.db2.gz IPGUTWRCRQVBTB-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082325970 678115407 /nfs/dbraw/zinc/11/54/07/678115407.db2.gz IPGUTWRCRQVBTB-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082325970 678115409 /nfs/dbraw/zinc/11/54/09/678115409.db2.gz IPGUTWRCRQVBTB-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368688 678116315 /nfs/dbraw/zinc/11/63/15/678116315.db2.gz KSPKCMJMPOOOES-YNEHKIRRSA-N 2 2 312.414 -1.158 20 0 DAADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368688 678116317 /nfs/dbraw/zinc/11/63/17/678116317.db2.gz KSPKCMJMPOOOES-YNEHKIRRSA-N 2 2 312.414 -1.158 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368688 678116318 /nfs/dbraw/zinc/11/63/18/678116318.db2.gz KSPKCMJMPOOOES-YNEHKIRRSA-N 2 2 312.414 -1.158 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368688 678116321 /nfs/dbraw/zinc/11/63/21/678116321.db2.gz KSPKCMJMPOOOES-YNEHKIRRSA-N 2 2 312.414 -1.158 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2OC)C1 ZINC001082377116 678116772 /nfs/dbraw/zinc/11/67/72/678116772.db2.gz DCFOOHAZIWYVQV-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2OC)C1 ZINC001082377116 678116773 /nfs/dbraw/zinc/11/67/73/678116773.db2.gz DCFOOHAZIWYVQV-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)C1 ZINC001082377116 678116776 /nfs/dbraw/zinc/11/67/76/678116776.db2.gz DCFOOHAZIWYVQV-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)C1 ZINC001082377116 678116777 /nfs/dbraw/zinc/11/67/77/678116777.db2.gz DCFOOHAZIWYVQV-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577721 678158937 /nfs/dbraw/zinc/15/89/37/678158937.db2.gz AXELRASZJBICGY-OLZOCXBDSA-N 2 2 322.409 -1.260 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577721 678158941 /nfs/dbraw/zinc/15/89/41/678158941.db2.gz AXELRASZJBICGY-OLZOCXBDSA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577721 678158943 /nfs/dbraw/zinc/15/89/43/678158943.db2.gz AXELRASZJBICGY-OLZOCXBDSA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577721 678158945 /nfs/dbraw/zinc/15/89/45/678158945.db2.gz AXELRASZJBICGY-OLZOCXBDSA-N 2 2 322.409 -1.260 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577717 678158965 /nfs/dbraw/zinc/15/89/65/678158965.db2.gz AXELRASZJBICGY-CHWSQXEVSA-N 2 2 322.409 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577717 678158968 /nfs/dbraw/zinc/15/89/68/678158968.db2.gz AXELRASZJBICGY-CHWSQXEVSA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577717 678158970 /nfs/dbraw/zinc/15/89/70/678158970.db2.gz AXELRASZJBICGY-CHWSQXEVSA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577717 678158971 /nfs/dbraw/zinc/15/89/71/678158971.db2.gz AXELRASZJBICGY-CHWSQXEVSA-N 2 2 322.409 -1.260 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001073433687 678171242 /nfs/dbraw/zinc/17/12/42/678171242.db2.gz JXYYNLNDTKNCPJ-ZDUSSCGKSA-N 2 2 324.425 -1.026 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001073433687 678171243 /nfs/dbraw/zinc/17/12/43/678171243.db2.gz JXYYNLNDTKNCPJ-ZDUSSCGKSA-N 2 2 324.425 -1.026 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001019660023 678217720 /nfs/dbraw/zinc/21/77/20/678217720.db2.gz YLBYHCUKCZQLJC-NSHDSACASA-N 2 2 320.397 -1.105 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040693959 678248872 /nfs/dbraw/zinc/24/88/72/678248872.db2.gz GNXLUPAMXJBGRV-HNNXBMFYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168113 678269175 /nfs/dbraw/zinc/26/91/75/678269175.db2.gz UGIMNFYCVBEXHD-SWLSCSKDSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(N)=O)C3)C2)C1 ZINC001041168113 678269176 /nfs/dbraw/zinc/26/91/76/678269176.db2.gz UGIMNFYCVBEXHD-SWLSCSKDSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)C1 ZINC001041168113 678269177 /nfs/dbraw/zinc/26/91/77/678269177.db2.gz UGIMNFYCVBEXHD-SWLSCSKDSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168113 678269178 /nfs/dbraw/zinc/26/91/78/678269178.db2.gz UGIMNFYCVBEXHD-SWLSCSKDSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001042105287 678316146 /nfs/dbraw/zinc/31/61/46/678316146.db2.gz YLBFHDSJUNAOAG-GFCCVEGCSA-N 2 2 321.381 -1.264 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001042105287 678316151 /nfs/dbraw/zinc/31/61/51/678316151.db2.gz YLBFHDSJUNAOAG-GFCCVEGCSA-N 2 2 321.381 -1.264 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001043114766 678365434 /nfs/dbraw/zinc/36/54/34/678365434.db2.gz AZJNTMLEYYNEBX-NSHDSACASA-N 2 2 321.381 -1.407 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001043114766 678365437 /nfs/dbraw/zinc/36/54/37/678365437.db2.gz AZJNTMLEYYNEBX-NSHDSACASA-N 2 2 321.381 -1.407 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001043431793 678379677 /nfs/dbraw/zinc/37/96/77/678379677.db2.gz SVRSSFADZXYNAR-UHFFFAOYSA-N 2 2 323.397 -1.087 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001043431793 678379681 /nfs/dbraw/zinc/37/96/81/678379681.db2.gz SVRSSFADZXYNAR-UHFFFAOYSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[C@H](C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001043679663 678389351 /nfs/dbraw/zinc/38/93/51/678389351.db2.gz BQAAXEQCXJILDI-GFCCVEGCSA-N 2 2 323.397 -1.087 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043717800 678392104 /nfs/dbraw/zinc/39/21/04/678392104.db2.gz SDAUIJHUFXQVSS-UHFFFAOYSA-N 2 2 321.381 -1.332 20 0 DAADLP CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001044043547 678410486 /nfs/dbraw/zinc/41/04/86/678410486.db2.gz BQAAXEQCXJILDI-LBPRGKRZSA-N 2 2 323.397 -1.087 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001044298307 678419223 /nfs/dbraw/zinc/41/92/23/678419223.db2.gz JDEVZDXFTQAKRJ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001044298307 678419224 /nfs/dbraw/zinc/41/92/24/678419224.db2.gz JDEVZDXFTQAKRJ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[C@]1(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+](CC(N)=O)C1 ZINC001046501144 678483599 /nfs/dbraw/zinc/48/35/99/678483599.db2.gz KQTPFKRSENTZJL-MJVOBMLWSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@]1(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+](CC(N)=O)C1 ZINC001046501144 678483601 /nfs/dbraw/zinc/48/36/01/678483601.db2.gz KQTPFKRSENTZJL-MJVOBMLWSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@]1(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+](CC(N)=O)C1 ZINC001046501144 678483608 /nfs/dbraw/zinc/48/36/08/678483608.db2.gz KQTPFKRSENTZJL-MJVOBMLWSA-N 2 2 322.409 -1.085 20 0 DAADLP CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC001047172063 678501938 /nfs/dbraw/zinc/50/19/38/678501938.db2.gz PBMIWUUGCLAWHD-LBPRGKRZSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047324280 678507436 /nfs/dbraw/zinc/50/74/36/678507436.db2.gz MRNGTUMYYVSSKZ-RDBSUJKOSA-N 2 2 322.413 -1.124 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047324280 678507442 /nfs/dbraw/zinc/50/74/42/678507442.db2.gz MRNGTUMYYVSSKZ-RDBSUJKOSA-N 2 2 322.413 -1.124 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047324280 678507444 /nfs/dbraw/zinc/50/74/44/678507444.db2.gz MRNGTUMYYVSSKZ-RDBSUJKOSA-N 2 2 322.413 -1.124 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047324280 678507449 /nfs/dbraw/zinc/50/74/49/678507449.db2.gz MRNGTUMYYVSSKZ-RDBSUJKOSA-N 2 2 322.413 -1.124 20 0 DAADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047432021 678518594 /nfs/dbraw/zinc/51/85/94/678518594.db2.gz VFEDTOGEHJGSLA-UBHSHLNASA-N 2 2 308.382 -1.059 20 0 DAADLP 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CC[C@H](C(N)=O)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047485833 678524268 /nfs/dbraw/zinc/52/42/68/678524268.db2.gz AXHPUWHFXMYXER-NDBYEHHHSA-N 2 2 312.414 -1.152 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047485833 678524271 /nfs/dbraw/zinc/52/42/71/678524271.db2.gz AXHPUWHFXMYXER-NDBYEHHHSA-N 2 2 312.414 -1.152 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047484312 678524316 /nfs/dbraw/zinc/52/43/16/678524316.db2.gz RGMFPCGOMIFVLZ-CRWXNKLISA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047484312 678524318 /nfs/dbraw/zinc/52/43/18/678524318.db2.gz RGMFPCGOMIFVLZ-CRWXNKLISA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047484312 678524322 /nfs/dbraw/zinc/52/43/22/678524322.db2.gz RGMFPCGOMIFVLZ-CRWXNKLISA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047484312 678524325 /nfs/dbraw/zinc/52/43/25/678524325.db2.gz RGMFPCGOMIFVLZ-CRWXNKLISA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047510811 678527277 /nfs/dbraw/zinc/52/72/77/678527277.db2.gz BVAZUUMDDFMDRC-RDBSUJKOSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047510811 678527279 /nfs/dbraw/zinc/52/72/79/678527279.db2.gz BVAZUUMDDFMDRC-RDBSUJKOSA-N 2 2 324.425 -1.280 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047632970 678538897 /nfs/dbraw/zinc/53/88/97/678538897.db2.gz DVYYXIZUMIZPGQ-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047632970 678538901 /nfs/dbraw/zinc/53/89/01/678538901.db2.gz DVYYXIZUMIZPGQ-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001047632970 678538904 /nfs/dbraw/zinc/53/89/04/678538904.db2.gz DVYYXIZUMIZPGQ-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047632970 678538907 /nfs/dbraw/zinc/53/89/07/678538907.db2.gz DVYYXIZUMIZPGQ-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047646839 678540332 /nfs/dbraw/zinc/54/03/32/678540332.db2.gz MGRIYJZVWUAHAN-STQMWFEESA-N 2 2 319.369 -1.322 20 0 DAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047646839 678540335 /nfs/dbraw/zinc/54/03/35/678540335.db2.gz MGRIYJZVWUAHAN-STQMWFEESA-N 2 2 319.369 -1.322 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740312 678558535 /nfs/dbraw/zinc/55/85/35/678558535.db2.gz YSNQEEIGJZNOCE-WUHRBBMRSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740312 678558540 /nfs/dbraw/zinc/55/85/40/678558540.db2.gz YSNQEEIGJZNOCE-WUHRBBMRSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740312 678558542 /nfs/dbraw/zinc/55/85/42/678558542.db2.gz YSNQEEIGJZNOCE-WUHRBBMRSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740312 678558545 /nfs/dbraw/zinc/55/85/45/678558545.db2.gz YSNQEEIGJZNOCE-WUHRBBMRSA-N 2 2 310.398 -1.419 20 0 DAADLP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116714 678574364 /nfs/dbraw/zinc/57/43/64/678574364.db2.gz YZYGXMBPNBVAMO-BETUJISGSA-N 2 2 310.398 -1.416 20 0 DAADLP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116714 678574366 /nfs/dbraw/zinc/57/43/66/678574366.db2.gz YZYGXMBPNBVAMO-BETUJISGSA-N 2 2 310.398 -1.416 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057212161 678699626 /nfs/dbraw/zinc/69/96/26/678699626.db2.gz JZKCGIRICPYFDX-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057212161 678699629 /nfs/dbraw/zinc/69/96/29/678699629.db2.gz JZKCGIRICPYFDX-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006573 678701107 /nfs/dbraw/zinc/70/11/07/678701107.db2.gz MROUKGBHWAADHK-MJBXVCDLSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006573 678701111 /nfs/dbraw/zinc/70/11/11/678701111.db2.gz MROUKGBHWAADHK-MJBXVCDLSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006573 678701114 /nfs/dbraw/zinc/70/11/14/678701114.db2.gz MROUKGBHWAADHK-MJBXVCDLSA-N 2 2 324.425 -1.014 20 0 DAADLP 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ZINC001070303072 678864626 /nfs/dbraw/zinc/86/46/26/678864626.db2.gz OUNKZKVOURJENX-TUAOUCFPSA-N 2 2 319.369 -1.034 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071020487 678881750 /nfs/dbraw/zinc/88/17/50/678881750.db2.gz GIPHHYXAGWNXKR-ZDUSSCGKSA-N 2 2 312.414 -1.419 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071020487 678881752 /nfs/dbraw/zinc/88/17/52/678881752.db2.gz GIPHHYXAGWNXKR-ZDUSSCGKSA-N 2 2 312.414 -1.419 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)C1 ZINC001071020487 678881755 /nfs/dbraw/zinc/88/17/55/678881755.db2.gz GIPHHYXAGWNXKR-ZDUSSCGKSA-N 2 2 312.414 -1.419 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)C1 ZINC001071020487 678881757 /nfs/dbraw/zinc/88/17/57/678881757.db2.gz GIPHHYXAGWNXKR-ZDUSSCGKSA-N 2 2 312.414 -1.419 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182640 782192929 /nfs/dbraw/zinc/19/29/29/782192929.db2.gz RMFYEDGRGHQDBO-VXGBXAGGSA-N 2 2 314.386 -1.991 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182640 782192932 /nfs/dbraw/zinc/19/29/32/782192932.db2.gz RMFYEDGRGHQDBO-VXGBXAGGSA-N 2 2 314.386 -1.991 20 0 DAADLP CN(C)C(=O)CC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273838603 782201976 /nfs/dbraw/zinc/20/19/76/782201976.db2.gz VWLZIPHTWGGKAI-UHFFFAOYSA-N 2 2 312.414 -1.061 20 0 DAADLP Cn1nncc1C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273927722 782228379 /nfs/dbraw/zinc/22/83/79/782228379.db2.gz HTSFXJBFLRPKQD-DHCBQETCSA-N 2 2 308.386 -1.092 20 0 DAADLP Cn1nncc1C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273927722 782228388 /nfs/dbraw/zinc/22/83/88/782228388.db2.gz HTSFXJBFLRPKQD-DHCBQETCSA-N 2 2 308.386 -1.092 20 0 DAADLP COCCOC[C@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495427 782239520 /nfs/dbraw/zinc/23/95/20/782239520.db2.gz JHYJGYLMWOUSBC-GFCCVEGCSA-N 2 2 300.359 -1.387 20 0 DAADLP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495811 782240276 /nfs/dbraw/zinc/24/02/76/782240276.db2.gz OIQKGIBVJQHDOB-UHFFFAOYSA-N 2 2 317.415 -1.082 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001274543833 782281117 /nfs/dbraw/zinc/28/11/17/782281117.db2.gz IEQMJYPPMGPGPD-NSCUHMNNSA-N 2 2 322.369 -1.190 20 0 DAADLP CCOC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274568258 782284228 /nfs/dbraw/zinc/28/42/28/782284228.db2.gz UYFGOBFNCLYSGV-ZDUSSCGKSA-N 2 2 315.414 -1.141 20 0 DAADLP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275180021 782304048 /nfs/dbraw/zinc/30/40/48/782304048.db2.gz QTWBVXLXUKGYQQ-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001275180021 782304057 /nfs/dbraw/zinc/30/40/57/782304057.db2.gz QTWBVXLXUKGYQQ-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001111406912 782358378 /nfs/dbraw/zinc/35/83/78/782358378.db2.gz GRFXFLDEIFIEBN-KKOKHZNYSA-N 2 2 323.397 -1.146 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001111406912 782358389 /nfs/dbraw/zinc/35/83/89/782358389.db2.gz GRFXFLDEIFIEBN-KKOKHZNYSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001111406912 782358397 /nfs/dbraw/zinc/35/83/97/782358397.db2.gz GRFXFLDEIFIEBN-KKOKHZNYSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001111406912 782358407 /nfs/dbraw/zinc/35/84/07/782358407.db2.gz GRFXFLDEIFIEBN-KKOKHZNYSA-N 2 2 323.397 -1.146 20 0 DAADLP Cn1[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)nc1=O ZINC001114775038 782376933 /nfs/dbraw/zinc/37/69/33/782376933.db2.gz ZAVCJMJSYKNBQP-IWIIMEHWSA-N 2 2 308.386 -1.394 20 0 DAADLP Cn1[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)nc1=O ZINC001114775038 782376944 /nfs/dbraw/zinc/37/69/44/782376944.db2.gz ZAVCJMJSYKNBQP-IWIIMEHWSA-N 2 2 308.386 -1.394 20 0 DAADLP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001043159441 782397205 /nfs/dbraw/zinc/39/72/05/782397205.db2.gz ATKKBNQAEOPKMM-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047626390 782406936 /nfs/dbraw/zinc/40/69/36/782406936.db2.gz BMPYJEYHKAQIQU-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047626390 782406942 /nfs/dbraw/zinc/40/69/42/782406942.db2.gz BMPYJEYHKAQIQU-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871723 782504353 /nfs/dbraw/zinc/50/43/53/782504353.db2.gz JLZFUYUPBKEXPZ-VXGBXAGGSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871723 782504359 /nfs/dbraw/zinc/50/43/59/782504359.db2.gz JLZFUYUPBKEXPZ-VXGBXAGGSA-N 2 2 312.414 -1.232 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099916174 782512619 /nfs/dbraw/zinc/51/26/19/782512619.db2.gz KBNWUZADNOOSLD-OLZOCXBDSA-N 2 2 323.397 -1.121 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099916174 782512627 /nfs/dbraw/zinc/51/26/27/782512627.db2.gz KBNWUZADNOOSLD-OLZOCXBDSA-N 2 2 323.397 -1.121 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100048423 782538434 /nfs/dbraw/zinc/53/84/34/782538434.db2.gz LIKNTICPXCOVLP-VXGBXAGGSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100048423 782538439 /nfs/dbraw/zinc/53/84/39/782538439.db2.gz LIKNTICPXCOVLP-VXGBXAGGSA-N 2 2 312.370 -1.488 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074025 782546588 /nfs/dbraw/zinc/54/65/88/782546588.db2.gz IMZYEJBIFKPUOO-VXGBXAGGSA-N 2 2 316.402 -2.138 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074025 782546596 /nfs/dbraw/zinc/54/65/96/782546596.db2.gz IMZYEJBIFKPUOO-VXGBXAGGSA-N 2 2 316.402 -2.138 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@@H]1O ZINC001100083110 782546983 /nfs/dbraw/zinc/54/69/83/782546983.db2.gz NGHVIWQBRYUYNC-RYUDHWBXSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@@H]1O ZINC001100083110 782546992 /nfs/dbraw/zinc/54/69/92/782546992.db2.gz NGHVIWQBRYUYNC-RYUDHWBXSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001100083110 782547002 /nfs/dbraw/zinc/54/70/02/782547002.db2.gz NGHVIWQBRYUYNC-RYUDHWBXSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001100083110 782547013 /nfs/dbraw/zinc/54/70/13/782547013.db2.gz NGHVIWQBRYUYNC-RYUDHWBXSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109859 782555135 /nfs/dbraw/zinc/55/51/35/782555135.db2.gz LOOSEYPMXRKPDW-STQMWFEESA-N 2 2 312.414 -1.230 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109859 782555141 /nfs/dbraw/zinc/55/51/41/782555141.db2.gz LOOSEYPMXRKPDW-STQMWFEESA-N 2 2 312.414 -1.230 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125223 782557827 /nfs/dbraw/zinc/55/78/27/782557827.db2.gz UVGDYDJSAIWPCF-STQMWFEESA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125223 782557834 /nfs/dbraw/zinc/55/78/34/782557834.db2.gz UVGDYDJSAIWPCF-STQMWFEESA-N 2 2 312.414 -1.101 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131986 782558899 /nfs/dbraw/zinc/55/88/99/782558899.db2.gz LQXGCSKHWCXDCW-VXGBXAGGSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131986 782558904 /nfs/dbraw/zinc/55/89/04/782558904.db2.gz LQXGCSKHWCXDCW-VXGBXAGGSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131986 782558909 /nfs/dbraw/zinc/55/89/09/782558909.db2.gz LQXGCSKHWCXDCW-VXGBXAGGSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131986 782558915 /nfs/dbraw/zinc/55/89/15/782558915.db2.gz LQXGCSKHWCXDCW-VXGBXAGGSA-N 2 2 300.403 -1.376 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127555 782559973 /nfs/dbraw/zinc/55/99/73/782559973.db2.gz WUWRPZWCNCKYDP-OLZOCXBDSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127555 782559982 /nfs/dbraw/zinc/55/99/82/782559982.db2.gz WUWRPZWCNCKYDP-OLZOCXBDSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550333 782578177 /nfs/dbraw/zinc/57/81/77/782578177.db2.gz DOJAHMIIOZAPIB-UHFFFAOYSA-N 2 2 322.369 -1.048 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980393 782637092 /nfs/dbraw/zinc/63/70/92/782637092.db2.gz QGUDTGPMVVCIAE-VIKVFOODSA-N 2 2 324.425 -1.109 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980393 782637102 /nfs/dbraw/zinc/63/71/02/782637102.db2.gz QGUDTGPMVVCIAE-VIKVFOODSA-N 2 2 324.425 -1.109 20 0 DAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118865801 782735833 /nfs/dbraw/zinc/73/58/33/782735833.db2.gz SJIFLYKMNJVQDI-NWDGAFQWSA-N 2 2 313.402 -2.547 20 0 DAADLP C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266329614 775131832 /nfs/dbraw/zinc/13/18/32/775131832.db2.gz BFSFYRAKBHOCTM-UHFFFAOYSA-N 2 2 322.369 -1.058 20 0 DAADLP C[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266329614 775131836 /nfs/dbraw/zinc/13/18/36/775131836.db2.gz BFSFYRAKBHOCTM-UHFFFAOYSA-N 2 2 322.369 -1.058 20 0 DAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN1C(=O)CNC1=O ZINC001266981482 775191220 /nfs/dbraw/zinc/19/12/20/775191220.db2.gz KYDLJKOFNGPBGN-SECBINFHSA-N 2 2 308.342 -1.402 20 0 DAADLP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098581830 775232793 /nfs/dbraw/zinc/23/27/93/775232793.db2.gz CVOCPUUPZIBMDH-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098581830 775232806 /nfs/dbraw/zinc/23/28/06/775232806.db2.gz CVOCPUUPZIBMDH-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445953 775240942 /nfs/dbraw/zinc/24/09/42/775240942.db2.gz JKSYYYSGZHAGLO-UHFFFAOYSA-N 2 2 308.342 -1.448 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267678009 775265305 /nfs/dbraw/zinc/26/53/05/775265305.db2.gz JODJAVWGZCIKLZ-ZDUSSCGKSA-N 2 2 301.387 -1.626 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001267678009 775265311 /nfs/dbraw/zinc/26/53/11/775265311.db2.gz JODJAVWGZCIKLZ-ZDUSSCGKSA-N 2 2 301.387 -1.626 20 0 DAADLP C[NH+](C)CCCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105315296 775304881 /nfs/dbraw/zinc/30/48/81/775304881.db2.gz GDMKENPQCASYFD-UHFFFAOYSA-N 2 2 323.401 -1.422 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980046 775328526 /nfs/dbraw/zinc/32/85/26/775328526.db2.gz JWLZKZAIZSXUNX-NMKXLXIOSA-N 2 2 310.398 -1.371 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980046 775328539 /nfs/dbraw/zinc/32/85/39/775328539.db2.gz JWLZKZAIZSXUNX-NMKXLXIOSA-N 2 2 310.398 -1.371 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001149129839 775331822 /nfs/dbraw/zinc/33/18/22/775331822.db2.gz IYSFQRSXEGIWAF-UHFFFAOYSA-N 2 2 303.388 -1.484 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105372385 775406228 /nfs/dbraw/zinc/40/62/28/775406228.db2.gz CLKOCRWQLPXOQW-UHFFFAOYSA-N 2 2 319.369 -1.052 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268635210 775410409 /nfs/dbraw/zinc/41/04/09/775410409.db2.gz YKGAVUYGTBZYHE-GXFZAYBSSA-N 2 2 305.338 -1.050 20 0 DAADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001268995843 775432467 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CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074703 776260064 /nfs/dbraw/zinc/26/00/64/776260064.db2.gz RBIZNUVOVUPZDY-CHWSQXEVSA-N 2 2 324.425 -1.230 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074706 776260175 /nfs/dbraw/zinc/26/01/75/776260175.db2.gz RBIZNUVOVUPZDY-STQMWFEESA-N 2 2 324.425 -1.230 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074706 776260178 /nfs/dbraw/zinc/26/01/78/776260178.db2.gz RBIZNUVOVUPZDY-STQMWFEESA-N 2 2 324.425 -1.230 20 0 DAADLP NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1F ZINC001169073002 776285636 /nfs/dbraw/zinc/28/56/36/776285636.db2.gz XUZVMLDPWBBNGT-SSDOTTSWSA-N 2 2 315.330 -1.084 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204506 776286462 /nfs/dbraw/zinc/28/64/62/776286462.db2.gz MUQKAJBWAWAECR-UHFFFAOYSA-N 2 2 310.358 -1.106 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001169212608 776286559 /nfs/dbraw/zinc/28/65/59/776286559.db2.gz WITNJOLOPDCEGU-UHFFFAOYSA-N 2 2 322.369 -1.010 20 0 DAADLP CN(CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)S(C)(=O)=O ZINC001169204447 776286754 /nfs/dbraw/zinc/28/67/54/776286754.db2.gz KCZJWGUYJVWWNM-UHFFFAOYSA-N 2 2 317.415 -1.061 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CC1 ZINC001108551965 776301901 /nfs/dbraw/zinc/30/19/01/776301901.db2.gz GWCLXCXHNWOXCL-SWLSCSKDSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CC1 ZINC001108551966 776302401 /nfs/dbraw/zinc/30/24/01/776302401.db2.gz GWCLXCXHNWOXCL-WFASDCNBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108567135 776307542 /nfs/dbraw/zinc/30/75/42/776307542.db2.gz WJXTUZZHGHOKTJ-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108587753 776309450 /nfs/dbraw/zinc/30/94/50/776309450.db2.gz WHYZOXGKUUYFLA-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108587753 776309460 /nfs/dbraw/zinc/30/94/60/776309460.db2.gz WHYZOXGKUUYFLA-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108591763 776310159 /nfs/dbraw/zinc/31/01/59/776310159.db2.gz DRJYLMDHXKJHDU-LBPRGKRZSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108591763 776310167 /nfs/dbraw/zinc/31/01/67/776310167.db2.gz DRJYLMDHXKJHDU-LBPRGKRZSA-N 2 2 312.414 -1.280 20 0 DAADLP Cn1ncnc1C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387160 776332322 /nfs/dbraw/zinc/33/23/22/776332322.db2.gz SSUDGLDXLKVBMS-LBPRGKRZSA-N 2 2 320.401 -1.152 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100135881 776345749 /nfs/dbraw/zinc/34/57/49/776345749.db2.gz DFIFZSROXNYRJX-QWHCGFSZSA-N 2 2 312.370 -1.557 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100135881 776345757 /nfs/dbraw/zinc/34/57/57/776345757.db2.gz DFIFZSROXNYRJX-QWHCGFSZSA-N 2 2 312.370 -1.557 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435969 776349040 /nfs/dbraw/zinc/34/90/40/776349040.db2.gz LRHVIDZVGXKISG-STQMWFEESA-N 2 2 317.349 -1.015 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435969 776349047 /nfs/dbraw/zinc/34/90/47/776349047.db2.gz LRHVIDZVGXKISG-STQMWFEESA-N 2 2 317.349 -1.015 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)NC(N)=O ZINC001130406959 776508816 /nfs/dbraw/zinc/50/88/16/776508816.db2.gz IGTRMWDHAVKGGZ-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130480688 776512454 /nfs/dbraw/zinc/51/24/54/776512454.db2.gz AFBOCOJGDWORMI-SECBINFHSA-N 2 2 308.342 -1.654 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481224 776513582 /nfs/dbraw/zinc/51/35/82/776513582.db2.gz NGXJYDOOBQJMSI-QWRGUYRKSA-N 2 2 319.365 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/nfs/dbraw/zinc/56/86/99/776568699.db2.gz VPPNKAJUOURZTD-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP CCC[NH+](C)CC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131393363 776568710 /nfs/dbraw/zinc/56/87/10/776568710.db2.gz VPPNKAJUOURZTD-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP O=C(NCC[NH2+]CCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613679 776576775 /nfs/dbraw/zinc/57/67/75/776576775.db2.gz KEGCQDXMRTXUBV-KGLIPLIRSA-N 2 2 315.414 -1.046 20 0 DAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613882 776577218 /nfs/dbraw/zinc/57/72/18/776577218.db2.gz QRYPWVDBHVEWOA-NEPJUHHUSA-N 2 2 314.386 -1.943 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639485 776578106 /nfs/dbraw/zinc/57/81/06/776578106.db2.gz HPLALZQOWSTABE-UHFFFAOYSA-N 2 2 310.358 -1.486 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131641873 776579488 /nfs/dbraw/zinc/57/94/88/776579488.db2.gz UXGKYARDBQMKDY-SNVBAGLBSA-N 2 2 307.354 -1.136 20 0 DAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132080038 776604491 /nfs/dbraw/zinc/60/44/91/776604491.db2.gz YUXDECKVTKRERA-UHFFFAOYSA-N 2 2 322.369 -2.063 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132080020 776604747 /nfs/dbraw/zinc/60/47/47/776604747.db2.gz XTNBEDQEXOYBMJ-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001133255479 776663709 /nfs/dbraw/zinc/66/37/09/776663709.db2.gz OVBMIVGUTBMXCN-KWQFWETISA-N 2 2 310.358 -1.964 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663708 776672539 /nfs/dbraw/zinc/67/25/39/776672539.db2.gz GHNKXZUILKQCPE-MRVPVSSYSA-N 2 2 308.342 -1.270 20 0 DAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001134400995 776701982 /nfs/dbraw/zinc/70/19/82/776701982.db2.gz SLSYADVHNYFYQT-SNVBAGLBSA-N 2 2 324.385 -1.749 20 0 DAADLP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406901 776703390 /nfs/dbraw/zinc/70/33/90/776703390.db2.gz HHMPGDBDVKGUPY-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498856 776709899 /nfs/dbraw/zinc/70/98/99/776709899.db2.gz PYCRSOBHAQJLHJ-SNVBAGLBSA-N 2 2 310.358 -1.004 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135079911 776734337 /nfs/dbraw/zinc/73/43/37/776734337.db2.gz GREVDCNHRKFGRW-JTQLQIEISA-N 2 2 317.415 -1.157 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135079911 776734347 /nfs/dbraw/zinc/73/43/47/776734347.db2.gz GREVDCNHRKFGRW-JTQLQIEISA-N 2 2 317.415 -1.157 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080652 776735819 /nfs/dbraw/zinc/73/58/19/776735819.db2.gz ZDNMJJSZHARZJH-SECBINFHSA-N 2 2 310.358 -1.250 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001135757676 776769656 /nfs/dbraw/zinc/76/96/56/776769656.db2.gz KZEIRTGRRFTBCJ-UHFFFAOYSA-N 2 2 308.342 -1.400 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090672965 776820033 /nfs/dbraw/zinc/82/00/33/776820033.db2.gz HPBIPPVBBHNXHH-QWHCGFSZSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090672965 776820039 /nfs/dbraw/zinc/82/00/39/776820039.db2.gz HPBIPPVBBHNXHH-QWHCGFSZSA-N 2 2 312.414 -1.245 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729878 776834236 /nfs/dbraw/zinc/83/42/36/776834236.db2.gz BOEHFQZYLIIBIA-NWDGAFQWSA-N 2 2 310.398 -1.620 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729878 776834245 /nfs/dbraw/zinc/83/42/45/776834245.db2.gz BOEHFQZYLIIBIA-NWDGAFQWSA-N 2 2 310.398 -1.620 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090734819 776836686 /nfs/dbraw/zinc/83/66/86/776836686.db2.gz QKSMNLSBKZTBFO-DGCLKSJQSA-N 2 2 321.381 -1.202 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090734819 776836692 /nfs/dbraw/zinc/83/66/92/776836692.db2.gz QKSMNLSBKZTBFO-DGCLKSJQSA-N 2 2 321.381 -1.202 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811594 776853167 /nfs/dbraw/zinc/85/31/67/776853167.db2.gz CLEQVGMZVWTNFL-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811594 776853173 /nfs/dbraw/zinc/85/31/73/776853173.db2.gz CLEQVGMZVWTNFL-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090809575 776854224 /nfs/dbraw/zinc/85/42/24/776854224.db2.gz UPDWDMVMYBLRSW-CHWSQXEVSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090809575 776854233 /nfs/dbraw/zinc/85/42/33/776854233.db2.gz UPDWDMVMYBLRSW-CHWSQXEVSA-N 2 2 323.397 -1.169 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808392 776854374 /nfs/dbraw/zinc/85/43/74/776854374.db2.gz KAIAQBQWWOCYGG-VXGBXAGGSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808392 776854380 /nfs/dbraw/zinc/85/43/80/776854380.db2.gz KAIAQBQWWOCYGG-VXGBXAGGSA-N 2 2 309.370 -1.511 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001090819125 776857494 /nfs/dbraw/zinc/85/74/94/776857494.db2.gz ZLIYOUXEWUAOKC-KBPBESRZSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001090819125 776857501 /nfs/dbraw/zinc/85/75/01/776857501.db2.gz ZLIYOUXEWUAOKC-KBPBESRZSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001125227025 779609583 /nfs/dbraw/zinc/60/95/83/779609583.db2.gz KSYDCVPYWUCCST-JTQLQIEISA-N 2 2 311.342 -1.351 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001125227025 779609588 /nfs/dbraw/zinc/60/95/88/779609588.db2.gz KSYDCVPYWUCCST-JTQLQIEISA-N 2 2 311.342 -1.351 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051901 779615545 /nfs/dbraw/zinc/61/55/45/779615545.db2.gz JUTFPMDYJPWGTB-UHFFFAOYSA-N 2 2 322.369 -1.012 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209650 779616749 /nfs/dbraw/zinc/61/67/49/779616749.db2.gz UAJGMZBUGKOESE-JTQLQIEISA-N 2 2 322.369 -1.264 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001149565120 779635799 /nfs/dbraw/zinc/63/57/99/779635799.db2.gz ZHRQIKZFHYKLAC-LLVKDONJSA-N 2 2 307.354 -1.136 20 0 DAADLP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150588018 779664063 /nfs/dbraw/zinc/66/40/63/779664063.db2.gz LYEJDVIKXBLQSA-LBPRGKRZSA-N 2 2 316.402 -1.743 20 0 DAADLP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150588018 779664068 /nfs/dbraw/zinc/66/40/68/779664068.db2.gz LYEJDVIKXBLQSA-LBPRGKRZSA-N 2 2 316.402 -1.743 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150726071 779666867 /nfs/dbraw/zinc/66/68/67/779666867.db2.gz ZGADBPRJVPVCEL-LBPRGKRZSA-N 2 2 309.370 -1.116 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150726071 779666868 /nfs/dbraw/zinc/66/68/68/779666868.db2.gz ZGADBPRJVPVCEL-LBPRGKRZSA-N 2 2 309.370 -1.116 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001151156507 779672347 /nfs/dbraw/zinc/67/23/47/779672347.db2.gz DYQRKBWFVOEILG-GFCCVEGCSA-N 2 2 310.402 -1.011 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001151156513 779672786 /nfs/dbraw/zinc/67/27/86/779672786.db2.gz FGMRAEATRJUPHM-GFCCVEGCSA-N 2 2 310.402 -1.011 20 0 DAADLP O=C(NCC[NH2+]CCOCCO)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814981 779683351 /nfs/dbraw/zinc/68/33/51/779683351.db2.gz NOLRENAPBCOOHR-CQSZACIVSA-N 2 2 315.414 -1.188 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC001153487958 779704752 /nfs/dbraw/zinc/70/47/52/779704752.db2.gz VUTQOMAKABXPOD-GFCCVEGCSA-N 2 2 309.370 -1.116 20 0 DAADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487519 779704892 /nfs/dbraw/zinc/70/48/92/779704892.db2.gz BIFNORLYFUXNQT-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001153500201 779705012 /nfs/dbraw/zinc/70/50/12/779705012.db2.gz GWICWKWJYFSPDF-LLVKDONJSA-N 2 2 324.385 -1.818 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001153487939 779705228 /nfs/dbraw/zinc/70/52/28/779705228.db2.gz UHVVRLNRYMLBRX-UHFFFAOYSA-N 2 2 308.342 -2.453 20 0 DAADLP Cn1c(=O)cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n(C)c1=O ZINC001153500901 779705453 /nfs/dbraw/zinc/70/54/53/779705453.db2.gz YZOQVBHHYRWIJM-UHFFFAOYSA-N 2 2 320.353 -1.814 20 0 DAADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001156146513 779739872 /nfs/dbraw/zinc/73/98/72/779739872.db2.gz ZZGVPRDKEUMDTD-MNOVXSKESA-N 2 2 311.390 -1.302 20 0 DAADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001156146513 779739874 /nfs/dbraw/zinc/73/98/74/779739874.db2.gz ZZGVPRDKEUMDTD-MNOVXSKESA-N 2 2 311.390 -1.302 20 0 DAADLP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157302904 779750946 /nfs/dbraw/zinc/75/09/46/779750946.db2.gz BIOZRFYINPUUFX-RYUDHWBXSA-N 2 2 321.381 -2.009 20 0 DAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157322928 779752485 /nfs/dbraw/zinc/75/24/85/779752485.db2.gz DVGUZGGTTOZQBM-RYUDHWBXSA-N 3 2 310.402 -1.350 20 0 DAADLP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C(=O)N1CCCC1 ZINC001157380142 779753539 /nfs/dbraw/zinc/75/35/39/779753539.db2.gz WYRQNLCGLATLRW-AVGNSLFASA-N 3 2 311.430 -1.088 20 0 DAADLP O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157496986 779756183 /nfs/dbraw/zinc/75/61/83/779756183.db2.gz LNTNVOVSGMCLLP-HEHGZKQESA-N 2 2 322.409 -1.212 20 0 DAADLP O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157496988 779756471 /nfs/dbraw/zinc/75/64/71/779756471.db2.gz LNTNVOVSGMCLLP-XEZPLFJOSA-N 2 2 322.409 -1.212 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)N(C)C[C@@H]1C[NH2+]CCO1)C[NH2+]C2 ZINC001157717149 779756915 /nfs/dbraw/zinc/75/69/15/779756915.db2.gz XCOORSHGDOODCX-QWRGUYRKSA-N 2 2 308.386 -1.068 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001158007762 779763808 /nfs/dbraw/zinc/76/38/08/779763808.db2.gz VOFBVOAXORZTNY-LPEHRKFASA-N 2 2 316.358 -2.826 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O ZINC001158006684 779763989 /nfs/dbraw/zinc/76/39/89/779763989.db2.gz MUVCOBYJAOYCOS-GRYCIOLGSA-N 2 2 313.354 -1.499 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@H]1OC(C)=O ZINC001158006685 779764088 /nfs/dbraw/zinc/76/40/88/779764088.db2.gz MUVCOBYJAOYCOS-SDDRHHMPSA-N 2 2 313.354 -1.499 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001157999758 779764305 /nfs/dbraw/zinc/76/43/05/779764305.db2.gz UFRLAFBZIOMUNH-AAEUAGOBSA-N 2 2 321.381 -1.034 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001158005726 779764416 /nfs/dbraw/zinc/76/44/16/779764416.db2.gz CHQRZCDDQCEBIA-QNWHQSFQSA-N 2 2 311.382 -1.026 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC001158005686 779764458 /nfs/dbraw/zinc/76/44/58/779764458.db2.gz BIWCWXYKYFENDL-GUBZILKMSA-N 2 2 300.359 -1.798 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1(C(=O)OCC)C[NH2+]C1 ZINC001157998855 779764877 /nfs/dbraw/zinc/76/48/77/779764877.db2.gz JEHNAFJPINLZAT-SNVBAGLBSA-N 2 2 313.354 -1.497 20 0 DAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158112511 779768322 /nfs/dbraw/zinc/76/83/22/779768322.db2.gz YYRVAZSOBJUXHR-XJKSGUPXSA-N 3 2 317.393 -1.051 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)N1CCO[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]C2 ZINC001158166592 779769783 /nfs/dbraw/zinc/76/97/83/779769783.db2.gz AFUJUCYEVKODNL-NTZNESFSSA-N 2 2 320.397 -1.068 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC1)COCC(=O)N2 ZINC001158326082 779773625 /nfs/dbraw/zinc/77/36/25/779773625.db2.gz GHGGDWOCJFNKMS-SDDRHHMPSA-N 2 2 308.382 -1.556 20 0 DAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001158429689 779775466 /nfs/dbraw/zinc/77/54/66/779775466.db2.gz ACCJRFCGXWZCPC-IUCAKERBSA-N 2 2 308.342 -1.656 20 0 DAADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2 ZINC001158432423 779775994 /nfs/dbraw/zinc/77/59/94/779775994.db2.gz VNHGGRUIKKDSCL-IUCAKERBSA-N 2 2 308.342 -1.514 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158495624 779777197 /nfs/dbraw/zinc/77/71/97/779777197.db2.gz AGCPDJBMZAFALY-IPNGBCKKSA-N 3 2 322.409 -1.310 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158495623 779777207 /nfs/dbraw/zinc/77/72/07/779777207.db2.gz AGCPDJBMZAFALY-BLXSCJOCSA-N 3 2 322.409 -1.310 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158487215 779777275 /nfs/dbraw/zinc/77/72/75/779777275.db2.gz WVWFGOZAYAYMCX-RYUDHWBXSA-N 2 2 323.401 -1.331 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158487215 779777276 /nfs/dbraw/zinc/77/72/76/779777276.db2.gz WVWFGOZAYAYMCX-RYUDHWBXSA-N 2 2 323.401 -1.331 20 0 DAADLP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158535561 779778216 /nfs/dbraw/zinc/77/82/16/779778216.db2.gz XNBICDIOIYTWIS-DFMBRWPFSA-N 3 2 306.410 -1.083 20 0 DAADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001159084902 779786174 /nfs/dbraw/zinc/78/61/74/779786174.db2.gz NTZZGSIHTJYRGI-ZDEQEGDKSA-N 2 2 318.381 -1.327 20 0 DAADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cn1 ZINC001159084858 779786883 /nfs/dbraw/zinc/78/68/83/779786883.db2.gz MXSQUKCHRWLEIB-XYJRDEOASA-N 2 2 318.381 -1.185 20 0 DAADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc[nH+]1 ZINC001159681414 779795266 /nfs/dbraw/zinc/79/52/66/779795266.db2.gz OWOAYPXVVCTXIV-MXWKQRLJSA-N 2 2 306.370 -1.077 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)C1 ZINC001159601040 779796027 /nfs/dbraw/zinc/79/60/27/779796027.db2.gz YNHBPUCVELCFJM-RKQHYHRCSA-N 2 2 322.409 -1.182 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159770803 779797670 /nfs/dbraw/zinc/79/76/70/779797670.db2.gz VWFOJVBMYUEAFN-QNSTZXKLSA-N 2 2 322.409 -1.182 20 0 DAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159930040 779798410 /nfs/dbraw/zinc/79/84/10/779798410.db2.gz PJRTVRXEPYOJOM-ZJUUUORDSA-N 2 2 307.358 -2.054 20 0 DAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001160174397 779801974 /nfs/dbraw/zinc/80/19/74/779801974.db2.gz UJLPRVCLZLPQCU-MJVIPROJSA-N 2 2 309.370 -2.518 20 0 DAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])C[C@@H]3C2=O)cn1 ZINC001160219200 779804013 /nfs/dbraw/zinc/80/40/13/779804013.db2.gz VRDQGRFNNCYESP-BQUFFADESA-N 2 2 318.381 -1.612 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325603 779804504 /nfs/dbraw/zinc/80/45/04/779804504.db2.gz BFVSLMVIVCDHJN-RKDXNWHRSA-N 2 2 308.342 -1.196 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325603 779804505 /nfs/dbraw/zinc/80/45/05/779804505.db2.gz BFVSLMVIVCDHJN-RKDXNWHRSA-N 2 2 308.342 -1.196 20 0 DAADLP CC(=O)NCc1ncn2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CCC2 ZINC001160324439 779805391 /nfs/dbraw/zinc/80/53/91/779805391.db2.gz VNQGNGXKBDEFCS-RYUDHWBXSA-N 2 2 320.397 -1.202 20 0 DAADLP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CCC2 ZINC001160322352 779805597 /nfs/dbraw/zinc/80/55/97/779805597.db2.gz AATRCWRJTSYLQM-NEPJUHHUSA-N 2 2 320.397 -1.059 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160431957 779806652 /nfs/dbraw/zinc/80/66/52/779806652.db2.gz JLBORVBDLYSWPR-JTQLQIEISA-N 2 2 301.372 -1.617 20 0 DAADLP COCCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C1CC[NH+](C)CC1 ZINC001160439465 779806838 /nfs/dbraw/zinc/80/68/38/779806838.db2.gz KJICZCHNZNHXSP-NSHDSACASA-N 2 2 311.390 -1.361 20 0 DAADLP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160492033 779808012 /nfs/dbraw/zinc/80/80/12/779808012.db2.gz CPVVSOATBHOJQD-GHCJXIJMSA-N 2 2 317.367 -1.708 20 0 DAADLP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160492039 779808151 /nfs/dbraw/zinc/80/81/51/779808151.db2.gz CPVVSOATBHOJQD-OORONAJNSA-N 2 2 317.367 -1.708 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C2)CC1=O ZINC001160634533 779812440 /nfs/dbraw/zinc/81/24/40/779812440.db2.gz CKOHJZZVHMEFGL-LBPRGKRZSA-N 2 2 306.370 -1.736 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636223 779813089 /nfs/dbraw/zinc/81/30/89/779813089.db2.gz HXKQJKKMVUAUQI-CYBMUJFWSA-N 2 2 324.429 -2.621 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C2)CC1=O ZINC001160636037 779814118 /nfs/dbraw/zinc/81/41/18/779814118.db2.gz OKCTXNXZBYMFQN-NHYWBVRUSA-N 2 2 307.398 -2.077 20 0 DAADLP O=C(N1CCC2(CC1)CC(=O)NC(=O)C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160715383 779816611 /nfs/dbraw/zinc/81/66/11/779816611.db2.gz BLCSTHUFPCPKQN-ZBEGNZNMSA-N 2 2 320.393 -1.017 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160746384 779817060 /nfs/dbraw/zinc/81/70/60/779817060.db2.gz HKSCUHKMEVUNBP-STQMWFEESA-N 2 2 310.398 -1.181 20 0 DAADLP O=C(N1CCC2(CC1)CC(=O)NC(=O)C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160715380 779817147 /nfs/dbraw/zinc/81/71/47/779817147.db2.gz BLCSTHUFPCPKQN-BDJLRTHQSA-N 2 2 320.393 -1.017 20 0 DAADLP O=C(N1CCC2(CC1)CC(=O)NC(=O)C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160715382 779817340 /nfs/dbraw/zinc/81/73/40/779817340.db2.gz BLCSTHUFPCPKQN-MEDUHNTESA-N 2 2 320.393 -1.017 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760476 779818913 /nfs/dbraw/zinc/81/89/13/779818913.db2.gz NKYOAWFOUJDJIS-UWVGGRQHSA-N 2 2 322.369 -2.025 20 0 DAADLP CCOC(=O)c1cnc2n1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001160805896 779819852 /nfs/dbraw/zinc/81/98/52/779819852.db2.gz GZHNUVAPGJCVFN-QWRGUYRKSA-N 2 2 321.381 -1.009 20 0 DAADLP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811983 779820259 /nfs/dbraw/zinc/82/02/59/779820259.db2.gz CINYVCRTHSWYLM-MCYUEQNJSA-N 3 2 310.398 -1.323 20 0 DAADLP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160812858 779820374 /nfs/dbraw/zinc/82/03/74/779820374.db2.gz UAXXHHNGGWPORK-OXJKWZBOSA-N 3 2 310.398 -1.466 20 0 DAADLP COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)ncn1 ZINC001161093397 779826171 /nfs/dbraw/zinc/82/61/71/779826171.db2.gz MZWGITUHGZTXOD-QWRGUYRKSA-N 2 2 306.370 -1.177 20 0 DAADLP O=C(N1CCN(c2ncc(O)cn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161082128 779826223 /nfs/dbraw/zinc/82/62/23/779826223.db2.gz LUPDAXGLWTVVOS-NHYWBVRUSA-N 2 2 318.381 -1.218 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161138784 779827364 /nfs/dbraw/zinc/82/73/64/779827364.db2.gz ZDOWTQKAIAJZFQ-PRHODGIISA-N 2 2 301.347 -2.135 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC001161138044 779827411 /nfs/dbraw/zinc/82/74/11/779827411.db2.gz LOCXXSMLBOWVMS-IINYFYTJSA-N 2 2 314.386 -1.421 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001161137936 779827501 /nfs/dbraw/zinc/82/75/01/779827501.db2.gz IMFRLUFGTKFUDL-BONVTDFDSA-N 2 2 324.381 -1.795 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001161138225 779827754 /nfs/dbraw/zinc/82/77/54/779827754.db2.gz PXFSXYOJMSFWDI-LLVKDONJSA-N 2 2 322.387 -2.691 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001161138409 779827996 /nfs/dbraw/zinc/82/79/96/779827996.db2.gz UNXCHWDNWBTFBW-HZMBPMFUSA-N 2 2 307.354 -1.295 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)c2cnc3n2CC[NH2+]CC3)C1 ZINC001161139116 779828132 /nfs/dbraw/zinc/82/81/32/779828132.db2.gz LJPLOOQJDVCYCO-AWEZNQCLSA-N 2 2 307.354 -1.255 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC001161138043 779828336 /nfs/dbraw/zinc/82/83/36/779828336.db2.gz LOCXXSMLBOWVMS-HZMBPMFUSA-N 2 2 314.386 -1.421 20 0 DAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161237583 779830673 /nfs/dbraw/zinc/83/06/73/779830673.db2.gz MWCHLZSDDQWHAO-LALPHHSUSA-N 3 2 310.398 -1.499 20 0 DAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161237583 779830678 /nfs/dbraw/zinc/83/06/78/779830678.db2.gz MWCHLZSDDQWHAO-LALPHHSUSA-N 3 2 310.398 -1.499 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCN1C(C)=O ZINC001161295113 779832588 /nfs/dbraw/zinc/83/25/88/779832588.db2.gz GCPGMFHOTRVUPG-TYNCELHUSA-N 2 2 324.381 -1.830 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248131 779832840 /nfs/dbraw/zinc/83/28/40/779832840.db2.gz ROTLEXIITVAEOT-LBPRGKRZSA-N 2 2 316.369 -1.176 20 0 DAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C2)CC1 ZINC001161377242 779833583 /nfs/dbraw/zinc/83/35/83/779833583.db2.gz GGQQCAWEKDBMAB-XNRPHZJLSA-N 3 2 307.442 -1.038 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300266 779834656 /nfs/dbraw/zinc/83/46/56/779834656.db2.gz IMIQNOBITUSPCC-JTQLQIEISA-N 2 2 322.369 -1.264 20 0 DAADLP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCN1C(C)=O ZINC001161295161 779834713 /nfs/dbraw/zinc/83/47/13/779834713.db2.gz HBZRSNVIPDPTOK-VXGBXAGGSA-N 2 2 323.353 -1.488 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161310605 779834752 /nfs/dbraw/zinc/83/47/52/779834752.db2.gz WBNZQPRIOHJBHT-SNVBAGLBSA-N 2 2 322.369 -1.264 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001161478655 779838549 /nfs/dbraw/zinc/83/85/49/779838549.db2.gz NGXVKZIURXRXAG-SHUKQUCYSA-N 3 2 322.409 -1.309 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001161478656 779839072 /nfs/dbraw/zinc/83/90/72/779839072.db2.gz NGXVKZIURXRXAG-VZAMPYOESA-N 3 2 322.409 -1.309 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)N1C[C@H]([NH3+])C3(COC3)C1)C[NH2+]C2 ZINC001161499793 779839727 /nfs/dbraw/zinc/83/97/27/779839727.db2.gz IISGGADKNSDBFB-KOLCDFICSA-N 2 2 306.370 -1.329 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)N1C[C@H]([NH3+])C3(COC3)C1)C[NH2+]C2 ZINC001161499795 779840536 /nfs/dbraw/zinc/84/05/36/779840536.db2.gz IISGGADKNSDBFB-ONGXEEELSA-N 2 2 306.370 -1.329 20 0 DAADLP C[NH+]1CCN(c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nn2)CC1 ZINC001162435278 779852285 /nfs/dbraw/zinc/85/22/85/779852285.db2.gz CHGCCNGGMCRKTO-HZSPNIEDSA-N 2 2 319.417 -2.275 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162437235 779854100 /nfs/dbraw/zinc/85/41/00/779854100.db2.gz SXIJTLAQRDAJNS-FXPVBKGRSA-N 2 2 310.793 -1.727 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162437243 779854380 /nfs/dbraw/zinc/85/43/80/779854380.db2.gz SXIJTLAQRDAJNS-NGZCFLSTSA-N 2 2 310.793 -1.727 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@@H]2NCN[C@@H]21 ZINC001162438395 779854677 /nfs/dbraw/zinc/85/46/77/779854677.db2.gz YCJGNNJOAGIFID-KKZNHRDASA-N 2 2 310.793 -1.727 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@@H]2NCN[C@H]21 ZINC001162438396 779854926 /nfs/dbraw/zinc/85/49/26/779854926.db2.gz YCJGNNJOAGIFID-NGZCFLSTSA-N 2 2 310.793 -1.727 20 0 DAADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731972 779887736 /nfs/dbraw/zinc/88/77/36/779887736.db2.gz SEFXUOUECVYZCS-LBPRGKRZSA-N 2 2 324.385 -1.701 20 0 DAADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731972 779887741 /nfs/dbraw/zinc/88/77/41/779887741.db2.gz SEFXUOUECVYZCS-LBPRGKRZSA-N 2 2 324.385 -1.701 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C[C@H](C)O ZINC001165731707 779887930 /nfs/dbraw/zinc/88/79/30/779887930.db2.gz PABRFBRTAMZASI-GWCFXTLKSA-N 2 2 311.386 -1.066 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C[C@H](C)O ZINC001165731707 779887936 /nfs/dbraw/zinc/88/79/36/779887936.db2.gz PABRFBRTAMZASI-GWCFXTLKSA-N 2 2 311.386 -1.066 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838396 779956469 /nfs/dbraw/zinc/95/64/69/779956469.db2.gz YCUQIPRABHHDAC-SNVBAGLBSA-N 2 2 322.369 -1.012 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835383 779957212 /nfs/dbraw/zinc/95/72/12/779957212.db2.gz AJIUEGYSBWOUBV-SECBINFHSA-N 2 2 308.342 -1.272 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305680 779961225 /nfs/dbraw/zinc/96/12/25/779961225.db2.gz ZEKTYAYJAZRDEQ-SNVBAGLBSA-N 2 2 322.369 -1.012 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210669296 779962804 /nfs/dbraw/zinc/96/28/04/779962804.db2.gz VNTPDVDVIFQLHM-SNVBAGLBSA-N 2 2 322.369 -1.262 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001211054049 779966828 /nfs/dbraw/zinc/96/68/28/779966828.db2.gz GZNNZYDDCXQNPW-FRRDWIJNSA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001211054049 779966834 /nfs/dbraw/zinc/96/68/34/779966834.db2.gz GZNNZYDDCXQNPW-FRRDWIJNSA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214811833 780000861 /nfs/dbraw/zinc/00/08/61/780000861.db2.gz IZVCYSRNZLDGAZ-MWLCHTKSSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214811833 780000872 /nfs/dbraw/zinc/00/08/72/780000872.db2.gz IZVCYSRNZLDGAZ-MWLCHTKSSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215268965 780005662 /nfs/dbraw/zinc/00/56/62/780005662.db2.gz FSMGPAWTUYDLJJ-GHMZBOCLSA-N 2 2 322.369 -1.095 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217000319 780015851 /nfs/dbraw/zinc/01/58/51/780015851.db2.gz JVRLFKQVTVGXGU-GHMZBOCLSA-N 2 2 322.369 -1.225 20 0 DAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001217000785 780016409 /nfs/dbraw/zinc/01/64/09/780016409.db2.gz OARUEWLTFOBDKY-NXEZZACHSA-N 2 2 308.342 -1.486 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc2[nH+]ccn21 ZINC001218499084 780031445 /nfs/dbraw/zinc/03/14/45/780031445.db2.gz MHCGFNNQHHODGB-IUCAKERBSA-N 2 2 318.337 -1.020 20 0 DAADLP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3C[C@@H]([NH3+])CN3)cn2)CC1 ZINC001218579786 780035816 /nfs/dbraw/zinc/03/58/16/780035816.db2.gz KSZWOPBDLLJBAN-PWSUYJOCSA-N 2 2 305.386 -1.144 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[NH2+]C[C@H]1O ZINC001218668632 780038567 /nfs/dbraw/zinc/03/85/67/780038567.db2.gz FUKWRLMMCGUIOR-QWHCGFSZSA-N 2 2 309.370 -1.266 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218668633 780039063 /nfs/dbraw/zinc/03/90/63/780039063.db2.gz FUKWRLMMCGUIOR-STQMWFEESA-N 2 2 309.370 -1.266 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1[NH2+]CC[C@H]1O ZINC001218669879 780039809 /nfs/dbraw/zinc/03/98/09/780039809.db2.gz ZOOOOGPMLSQUPD-OLZOCXBDSA-N 2 2 309.370 -1.123 20 0 DAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358095 780084450 /nfs/dbraw/zinc/08/44/50/780084450.db2.gz WZYWFRJOYOSOAS-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358095 780084456 /nfs/dbraw/zinc/08/44/56/780084456.db2.gz WZYWFRJOYOSOAS-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219358095 780084468 /nfs/dbraw/zinc/08/44/68/780084468.db2.gz WZYWFRJOYOSOAS-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358095 780084474 /nfs/dbraw/zinc/08/44/74/780084474.db2.gz WZYWFRJOYOSOAS-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411499 780093615 /nfs/dbraw/zinc/09/36/15/780093615.db2.gz LLKOKQBNERTGOR-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411499 780093622 /nfs/dbraw/zinc/09/36/22/780093622.db2.gz LLKOKQBNERTGOR-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411499 780093629 /nfs/dbraw/zinc/09/36/29/780093629.db2.gz LLKOKQBNERTGOR-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411499 780093635 /nfs/dbraw/zinc/09/36/35/780093635.db2.gz LLKOKQBNERTGOR-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219414034 780094626 /nfs/dbraw/zinc/09/46/26/780094626.db2.gz PXFUXVWBBHMZEU-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219414034 780094635 /nfs/dbraw/zinc/09/46/35/780094635.db2.gz PXFUXVWBBHMZEU-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219414034 780094647 /nfs/dbraw/zinc/09/46/47/780094647.db2.gz PXFUXVWBBHMZEU-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219414034 780094653 /nfs/dbraw/zinc/09/46/53/780094653.db2.gz PXFUXVWBBHMZEU-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739044 780140607 /nfs/dbraw/zinc/14/06/07/780140607.db2.gz GABSUDSSXCRTKH-QWHCGFSZSA-N 3 2 311.430 -1.769 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741649 780140721 /nfs/dbraw/zinc/14/07/21/780140721.db2.gz PYSVSLLCVMMXPY-LBPRGKRZSA-N 2 2 310.398 -1.164 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766068 780144438 /nfs/dbraw/zinc/14/44/38/780144438.db2.gz MAQNLQJWFUGACB-USZNOCQGSA-N 2 2 313.402 -2.779 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766068 780144444 /nfs/dbraw/zinc/14/44/44/780144444.db2.gz MAQNLQJWFUGACB-USZNOCQGSA-N 2 2 313.402 -2.779 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766068 780144446 /nfs/dbraw/zinc/14/44/46/780144446.db2.gz MAQNLQJWFUGACB-USZNOCQGSA-N 2 2 313.402 -2.779 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001219803659 780148706 /nfs/dbraw/zinc/14/87/06/780148706.db2.gz CKNKXFIVBAIJSD-VNHYZAJKSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001219803659 780148712 /nfs/dbraw/zinc/14/87/12/780148712.db2.gz CKNKXFIVBAIJSD-VNHYZAJKSA-N 2 2 324.425 -1.280 20 0 DAADLP [NH3+]CC(=O)NCC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805627 780149430 /nfs/dbraw/zinc/14/94/30/780149430.db2.gz AWZGOKYAEAJVNL-UHFFFAOYSA-N 2 2 308.342 -2.572 20 0 DAADLP C[C@@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)COCC[NH2+]1 ZINC001219806413 780149916 /nfs/dbraw/zinc/14/99/16/780149916.db2.gz VOXCSFPBFGBXOW-HNNXBMFYSA-N 2 2 321.381 -1.269 20 0 DAADLP [NH3+]CCC[NH2+]CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806377 780149979 /nfs/dbraw/zinc/14/99/79/780149979.db2.gz UEEGTQKPVUVCSE-UHFFFAOYSA-N 3 2 308.386 -1.709 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813713 780151480 /nfs/dbraw/zinc/15/14/80/780151480.db2.gz AQOLGTRAGJQVCE-AGIUHOORSA-N 2 2 310.398 -1.480 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813713 780151488 /nfs/dbraw/zinc/15/14/88/780151488.db2.gz AQOLGTRAGJQVCE-AGIUHOORSA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813713 780151496 /nfs/dbraw/zinc/15/14/96/780151496.db2.gz AQOLGTRAGJQVCE-AGIUHOORSA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813713 780151500 /nfs/dbraw/zinc/15/15/00/780151500.db2.gz AQOLGTRAGJQVCE-AGIUHOORSA-N 2 2 310.398 -1.480 20 0 DAADLP COC(=O)[C@@H]1C[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001219813381 780152220 /nfs/dbraw/zinc/15/22/20/780152220.db2.gz RLPAFJOGDVMXSM-YXMPFFBPSA-N 2 2 311.382 -1.120 20 0 DAADLP [NH3+]C1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1 ZINC001219837808 780155108 /nfs/dbraw/zinc/15/51/08/780155108.db2.gz MBYRCFOFOHRLIS-TZMCWYRMSA-N 3 2 312.414 -1.421 20 0 DAADLP [NH3+]C1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1 ZINC001219837807 780155421 /nfs/dbraw/zinc/15/54/21/780155421.db2.gz MBYRCFOFOHRLIS-OCCSQVGLSA-N 3 2 312.414 -1.421 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)N[C@H]1CO[C@@H]3C[NH2+]C[C@H]13)C[NH2+]C2 ZINC001219854498 780157836 /nfs/dbraw/zinc/15/78/36/780157836.db2.gz KHFLSNTVJOUVNS-PKZYVASSSA-N 2 2 306.370 -1.412 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H]1O)[NH+](C)C ZINC001219875203 780159613 /nfs/dbraw/zinc/15/96/13/780159613.db2.gz SCYSFXOTBHBARS-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H]1O)[NH+](C)C ZINC001219875203 780159616 /nfs/dbraw/zinc/15/96/16/780159616.db2.gz SCYSFXOTBHBARS-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C[NH2+]1 ZINC001219965681 780167058 /nfs/dbraw/zinc/16/70/58/780167058.db2.gz WYBWOGYEROFDFW-VWYCJHECSA-N 2 2 312.370 -1.654 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969477 780167355 /nfs/dbraw/zinc/16/73/55/780167355.db2.gz BIAZAGFQERVWSZ-CMPLNLGQSA-N 2 2 310.402 -1.635 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1 ZINC001219965565 780167382 /nfs/dbraw/zinc/16/73/82/780167382.db2.gz RUKZBNMXOURSFZ-UTUOFQBUSA-N 3 2 310.398 -1.120 20 0 DAADLP CCn1c(N)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(=O)n(CC)c1=O ZINC001219972549 780167449 /nfs/dbraw/zinc/16/74/49/780167449.db2.gz RFCJYXUCGRFVGN-YUMQZZPRSA-N 2 2 310.358 -1.883 20 0 DAADLP CNS(=O)(=O)CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219961688 780167470 /nfs/dbraw/zinc/16/74/70/780167470.db2.gz RRCZDRHSRMFXHT-JTQLQIEISA-N 2 2 307.420 -2.598 20 0 DAADLP CNS(=O)(=O)CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219961689 780168078 /nfs/dbraw/zinc/16/80/78/780168078.db2.gz RRCZDRHSRMFXHT-SNVBAGLBSA-N 2 2 307.420 -2.598 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219967953 780168099 /nfs/dbraw/zinc/16/80/99/780168099.db2.gz QBPXFBFOHHBKRM-WOPDTQHZSA-N 3 2 313.402 -2.244 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010606 780170074 /nfs/dbraw/zinc/17/00/74/780170074.db2.gz APBFLAXBSAFUMY-XQQFMLRXSA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010606 780170077 /nfs/dbraw/zinc/17/00/77/780170077.db2.gz APBFLAXBSAFUMY-XQQFMLRXSA-N 2 2 312.370 -1.640 20 0 DAADLP CCOC(=O)c1nnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)o1 ZINC001220011249 780170735 /nfs/dbraw/zinc/17/07/35/780170735.db2.gz TYJYDSVUBSKLER-OQPBUACISA-N 2 2 309.326 -1.186 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189045 780189167 /nfs/dbraw/zinc/18/91/67/780189167.db2.gz KPHAWGIEBZTYET-CIUDSAMLSA-N 2 2 308.329 -1.828 20 0 DAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220185889 780189507 /nfs/dbraw/zinc/18/95/07/780189507.db2.gz KGCOPSVELPQEFR-VHSXEESVSA-N 2 2 304.341 -1.322 20 0 DAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220186145 780189786 /nfs/dbraw/zinc/18/97/86/780189786.db2.gz MGECPDMVDHUTIF-WPRPVWTQSA-N 2 2 302.325 -1.175 20 0 DAADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220185881 780190009 /nfs/dbraw/zinc/19/00/09/780190009.db2.gz KGCOPSVELPQEFR-NXEZZACHSA-N 2 2 304.341 -1.322 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238577 780193557 /nfs/dbraw/zinc/19/35/57/780193557.db2.gz XELSSFPVUNBDPP-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238577 780193563 /nfs/dbraw/zinc/19/35/63/780193563.db2.gz XELSSFPVUNBDPP-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237664 780194064 /nfs/dbraw/zinc/19/40/64/780194064.db2.gz ABAPXGTWKAMVRI-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237664 780194067 /nfs/dbraw/zinc/19/40/67/780194067.db2.gz ABAPXGTWKAMVRI-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220271718 780197996 /nfs/dbraw/zinc/19/79/96/780197996.db2.gz FPXYDKKPMTUDFP-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220271718 780198004 /nfs/dbraw/zinc/19/80/04/780198004.db2.gz FPXYDKKPMTUDFP-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271715 780199049 /nfs/dbraw/zinc/19/90/49/780199049.db2.gz FIVMRNQNZWFQSD-OLZOCXBDSA-N 2 2 314.430 -1.034 20 0 DAADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271715 780199051 /nfs/dbraw/zinc/19/90/51/780199051.db2.gz FIVMRNQNZWFQSD-OLZOCXBDSA-N 2 2 314.430 -1.034 20 0 DAADLP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1=O ZINC001220290840 780200306 /nfs/dbraw/zinc/20/03/06/780200306.db2.gz FVYHZBQZOYGRIX-NEPJUHHUSA-N 2 2 309.370 -1.231 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310772 780201669 /nfs/dbraw/zinc/20/16/69/780201669.db2.gz GORXACLPUHJFOY-UHFFFAOYSA-N 2 2 306.370 -1.576 20 0 DAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)O1 ZINC001220481585 780217437 /nfs/dbraw/zinc/21/74/37/780217437.db2.gz KTFPHMANTIBSAE-KMCWBVRRSA-N 3 2 312.414 -1.221 20 0 DAADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)O1 ZINC001220481771 780218652 /nfs/dbraw/zinc/21/86/52/780218652.db2.gz QQPVEZQUTMZVSE-BXCDGJFSSA-N 3 2 312.414 -1.223 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCOCCOCC[NH3+] ZINC001220519089 780221428 /nfs/dbraw/zinc/22/14/28/780221428.db2.gz AOMJMQPFPKXQNL-CYBMUJFWSA-N 3 2 317.434 -2.155 20 0 DAADLP CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[NH2+]C1 ZINC001220521970 780223065 /nfs/dbraw/zinc/22/30/65/780223065.db2.gz WAOMRGDTTIANJL-BMIGLBTASA-N 3 2 308.382 -1.135 20 0 DAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220547888 780227055 /nfs/dbraw/zinc/22/70/55/780227055.db2.gz MEJXZWMGIRUFJP-KGLIPLIRSA-N 2 2 315.414 -1.358 20 0 DAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220547888 780227059 /nfs/dbraw/zinc/22/70/59/780227059.db2.gz MEJXZWMGIRUFJP-KGLIPLIRSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220582763 780230878 /nfs/dbraw/zinc/23/08/78/780230878.db2.gz CPQSEQNPTOIHEJ-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220582763 780230882 /nfs/dbraw/zinc/23/08/82/780230882.db2.gz CPQSEQNPTOIHEJ-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220576967 780230989 /nfs/dbraw/zinc/23/09/89/780230989.db2.gz YCURTVKGFHMDBV-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220576967 780230991 /nfs/dbraw/zinc/23/09/91/780230991.db2.gz YCURTVKGFHMDBV-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220682860 780238330 /nfs/dbraw/zinc/23/83/30/780238330.db2.gz DXSATEDWJSMSNQ-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220682860 780238338 /nfs/dbraw/zinc/23/83/38/780238338.db2.gz DXSATEDWJSMSNQ-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220682860 780238344 /nfs/dbraw/zinc/23/83/44/780238344.db2.gz DXSATEDWJSMSNQ-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220682860 780238351 /nfs/dbraw/zinc/23/83/51/780238351.db2.gz DXSATEDWJSMSNQ-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220683770 780239241 /nfs/dbraw/zinc/23/92/41/780239241.db2.gz ZKIPMDMOEHAQDI-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220683770 780239242 /nfs/dbraw/zinc/23/92/42/780239242.db2.gz ZKIPMDMOEHAQDI-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220683770 780239244 /nfs/dbraw/zinc/23/92/44/780239244.db2.gz ZKIPMDMOEHAQDI-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220683770 780239246 /nfs/dbraw/zinc/23/92/46/780239246.db2.gz ZKIPMDMOEHAQDI-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688460 780239862 /nfs/dbraw/zinc/23/98/62/780239862.db2.gz HLQRJNUCWQKTFI-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688460 780239870 /nfs/dbraw/zinc/23/98/70/780239870.db2.gz HLQRJNUCWQKTFI-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688460 780239874 /nfs/dbraw/zinc/23/98/74/780239874.db2.gz HLQRJNUCWQKTFI-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688460 780239882 /nfs/dbraw/zinc/23/98/82/780239882.db2.gz HLQRJNUCWQKTFI-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP [NH3+]C1(C(=O)NCCCN2CCS(=O)(=O)CC2)CC[NH2+]CC1 ZINC001220757081 780244807 /nfs/dbraw/zinc/24/48/07/780244807.db2.gz SLEQQMVXUHEBNJ-UHFFFAOYSA-N 2 2 318.443 -1.696 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220771706 780247810 /nfs/dbraw/zinc/24/78/10/780247810.db2.gz CHDGZFFGGKNMKN-RISCZKNCSA-N 2 2 309.370 -1.299 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220831029 780250514 /nfs/dbraw/zinc/25/05/14/780250514.db2.gz NFJZLNYDJZPHME-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220831029 780250518 /nfs/dbraw/zinc/25/05/18/780250518.db2.gz NFJZLNYDJZPHME-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220831029 780250530 /nfs/dbraw/zinc/25/05/30/780250530.db2.gz NFJZLNYDJZPHME-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220828855 780251177 /nfs/dbraw/zinc/25/11/77/780251177.db2.gz FTMNRPQTRPUYMR-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220828855 780251183 /nfs/dbraw/zinc/25/11/83/780251183.db2.gz FTMNRPQTRPUYMR-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220828855 780251193 /nfs/dbraw/zinc/25/11/93/780251193.db2.gz FTMNRPQTRPUYMR-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP O=C(NCCOCCN1C(=O)C=CC1=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220875969 780254715 /nfs/dbraw/zinc/25/47/15/780254715.db2.gz CPQXKRIVHNTWLY-XHDPSFHLSA-N 2 2 322.365 -2.004 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)N(O)N=O ZINC001220901069 780256559 /nfs/dbraw/zinc/25/65/59/780256559.db2.gz SJVUEUUIXXIFCQ-ONGXEEELSA-N 3 2 301.351 -2.398 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220901372 780257143 /nfs/dbraw/zinc/25/71/43/780257143.db2.gz XKIYWAUMRFKCBU-JTQLQIEISA-N 3 2 314.350 -2.046 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976254 780265086 /nfs/dbraw/zinc/26/50/86/780265086.db2.gz QTPFLSCZCIQZEJ-MJBXVCDLSA-N 2 2 324.425 -1.374 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976254 780265095 /nfs/dbraw/zinc/26/50/95/780265095.db2.gz QTPFLSCZCIQZEJ-MJBXVCDLSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976254 780265102 /nfs/dbraw/zinc/26/51/02/780265102.db2.gz QTPFLSCZCIQZEJ-MJBXVCDLSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976254 780265108 /nfs/dbraw/zinc/26/51/08/780265108.db2.gz QTPFLSCZCIQZEJ-MJBXVCDLSA-N 2 2 324.425 -1.374 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220987090 780266761 /nfs/dbraw/zinc/26/67/61/780266761.db2.gz HBSLMKIKVMSAOK-XQQFMLRXSA-N 2 2 301.387 -1.892 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220987090 780266768 /nfs/dbraw/zinc/26/67/68/780266768.db2.gz HBSLMKIKVMSAOK-XQQFMLRXSA-N 2 2 301.387 -1.892 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1[nH+]cn2ccccc12 ZINC001221007641 780269723 /nfs/dbraw/zinc/26/97/23/780269723.db2.gz BEFIMWFBHNOIKF-UWVGGRQHSA-N 2 2 305.338 -1.225 20 0 DAADLP COCCC1(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CCS(=O)(=O)CC1 ZINC001221025968 780270923 /nfs/dbraw/zinc/27/09/23/780270923.db2.gz OEFONZJDZPELTH-QWRGUYRKSA-N 2 2 319.427 -1.224 20 0 DAADLP COCCC1(NC(=O)[C@@H]([NH3+])CC[NH3+])CCS(=O)(=O)CC1 ZINC001221026427 780270971 /nfs/dbraw/zinc/27/09/71/780270971.db2.gz VZZUPTZBOFWJSF-JTQLQIEISA-N 2 2 307.416 -1.237 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221081680 780272604 /nfs/dbraw/zinc/27/26/04/780272604.db2.gz SMPQFYPSNCUIJU-MCIONIFRSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221081680 780272616 /nfs/dbraw/zinc/27/26/16/780272616.db2.gz SMPQFYPSNCUIJU-MCIONIFRSA-N 2 2 324.425 -1.088 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121386 780278066 /nfs/dbraw/zinc/27/80/66/780278066.db2.gz CWMWERBNUPTMRM-NSHDSACASA-N 2 2 316.369 -1.140 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)N[C@@H](CCC[NH3+])C(=O)OC)C[NH2+]C2 ZINC001221187779 780282199 /nfs/dbraw/zinc/28/21/99/780282199.db2.gz FKHJSEGRZRLLQM-ZJUUUORDSA-N 2 2 324.385 -1.119 20 0 DAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@H](C(=O)OC)C1 ZINC001221188101 780282254 /nfs/dbraw/zinc/28/22/54/780282254.db2.gz OBPJLSVOEVDCBD-DCAQKATOSA-N 2 2 315.370 -1.076 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)N[C@@H](CCC[NH3+])C(=O)OC)C[NH2+]C2 ZINC001221187778 780282301 /nfs/dbraw/zinc/28/23/01/780282301.db2.gz FKHJSEGRZRLLQM-UWVGGRQHSA-N 2 2 324.385 -1.119 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CN1CC[NH2+]CC1 ZINC001221256967 780286634 /nfs/dbraw/zinc/28/66/34/780286634.db2.gz SRHJTRRMLWNGPV-ZDUSSCGKSA-N 2 2 323.397 -1.084 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@H]2NCN[C@H]21 ZINC001221266196 780287849 /nfs/dbraw/zinc/28/78/49/780287849.db2.gz TYESCQFCMKQIRH-OHBODLIOSA-N 2 2 311.390 -3.155 20 0 DAADLP [NH3+][C@H](Cc1ccccc1F)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265416 780288402 /nfs/dbraw/zinc/28/84/02/780288402.db2.gz LUPTXOKQNSQCNX-XQHKEYJVSA-N 2 2 308.361 -1.785 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@H]2NCN[C@H]21 ZINC001221265195 780288823 /nfs/dbraw/zinc/28/88/23/780288823.db2.gz HUCWNGHKNLOGMN-XJFOESAGSA-N 2 2 302.382 -1.780 20 0 DAADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266032 780289136 /nfs/dbraw/zinc/28/91/36/780289136.db2.gz RTJXCAYJKTYLEY-APLZJWDSSA-N 2 2 300.407 -1.964 20 0 DAADLP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221332917 780289665 /nfs/dbraw/zinc/28/96/65/780289665.db2.gz OKCWCFJROWPCCU-RYUDHWBXSA-N 2 2 301.354 -1.018 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221337568 780291655 /nfs/dbraw/zinc/29/16/55/780291655.db2.gz QGZXAXCKZXGREL-NSHDSACASA-N 2 2 315.399 -1.558 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCOc1cc[nH+]cc1 ZINC001221393806 780291688 /nfs/dbraw/zinc/29/16/88/780291688.db2.gz NNGCSLJSUBHOIF-ONGXEEELSA-N 2 2 323.353 -1.716 20 0 DAADLP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1 ZINC001221407350 780293992 /nfs/dbraw/zinc/29/39/92/780293992.db2.gz YAZIVFIUEDOCPW-QWRGUYRKSA-N 2 2 305.342 -1.106 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946767 780305497 /nfs/dbraw/zinc/30/54/97/780305497.db2.gz BEDXIDVEIVCAHV-YNEHKIRRSA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946767 780305506 /nfs/dbraw/zinc/30/55/06/780305506.db2.gz BEDXIDVEIVCAHV-YNEHKIRRSA-N 2 2 312.414 -1.029 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098463 780306803 /nfs/dbraw/zinc/30/68/03/780306803.db2.gz NCNZPMHTYCIRNM-SNVBAGLBSA-N 2 2 308.342 -1.341 20 0 DAADLP Cn1cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(=O)n(C)c1=O ZINC001222506977 780311450 /nfs/dbraw/zinc/31/14/50/780311450.db2.gz KOVGLXGZJXRKPB-STQMWFEESA-N 2 2 307.398 -1.390 20 0 DAADLP Cn1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(=O)n(C)c1=O ZINC001222506977 780311455 /nfs/dbraw/zinc/31/14/55/780311455.db2.gz KOVGLXGZJXRKPB-STQMWFEESA-N 2 2 307.398 -1.390 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001228274377 780347931 /nfs/dbraw/zinc/34/79/31/780347931.db2.gz VWIHWNLNCNDZKP-UHFFFAOYSA-N 2 2 322.369 -1.033 20 0 DAADLP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC1=CS[C@H]([NH3+])N1 ZINC001236310463 780420476 /nfs/dbraw/zinc/42/04/76/780420476.db2.gz ZGHOIQGWLKSMIV-GFCCVEGCSA-N 3 2 302.448 -1.478 20 0 DAADLP C[NH+]1CCN(c2cc(NS(=O)(=O)CC[NH3+])ncn2)CC1 ZINC001237492877 780428997 /nfs/dbraw/zinc/42/89/97/780428997.db2.gz HJDUJEOIECONDW-UHFFFAOYSA-N 2 2 300.388 -1.071 20 0 DAADLP [NH3+]CCS(=O)(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC001239084339 780442768 /nfs/dbraw/zinc/44/27/68/780442768.db2.gz LZCSYIZRBGCALO-UHFFFAOYSA-N 2 2 306.432 -1.775 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239129806 780443517 /nfs/dbraw/zinc/44/35/17/780443517.db2.gz PXSBJGQCPWFTOB-LBPRGKRZSA-N 2 2 305.400 -1.108 20 0 DAADLP CCOC(=O)CCNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239285995 780443668 /nfs/dbraw/zinc/44/36/68/780443668.db2.gz BJCPTDLATWPWAB-UHFFFAOYSA-N 2 2 315.418 -1.266 20 0 DAADLP COCCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439516 780445354 /nfs/dbraw/zinc/44/53/54/780445354.db2.gz RLYVUIKBGXVFDJ-UHFFFAOYSA-N 2 2 303.476 -1.018 20 0 DAADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCN1CC[NH2+]CC1=O ZINC001246009754 780447784 /nfs/dbraw/zinc/44/77/84/780447784.db2.gz HDSHNJWSNTVWRT-LSDHHAIUSA-N 3 2 306.410 -1.061 20 0 DAADLP O[C@H](C[NH2+]Cc1nnc2n1CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245988811 780448127 /nfs/dbraw/zinc/44/81/27/780448127.db2.gz WSWJPWJJJSLFLR-LBPRGKRZSA-N 3 2 324.429 -1.274 20 0 DAADLP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246001969 780448490 /nfs/dbraw/zinc/44/84/90/780448490.db2.gz JPJCDDHPWSIBHF-XQQFMLRXSA-N 3 2 315.414 -1.407 20 0 DAADLP C[C@@H]1CC[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C[NH2+]1 ZINC001246522396 780455589 /nfs/dbraw/zinc/45/55/89/780455589.db2.gz CIIPMTKXBIPVLC-IXAOELMOSA-N 2 2 304.387 -1.439 20 0 DAADLP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1C[NH2+]CC1(F)F)O3 ZINC001247007611 780457908 /nfs/dbraw/zinc/45/79/08/780457908.db2.gz CPAUTXIQIWFYGL-IMSYWVGJSA-N 2 2 309.338 -1.262 20 0 DAADLP COC(=O)C1(NC[C@@H](O)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC001251043191 780464676 /nfs/dbraw/zinc/46/46/76/780464676.db2.gz MYONQNWHQYRSLW-CYBMUJFWSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+](CC)CC[C@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001255954143 780505032 /nfs/dbraw/zinc/50/50/32/780505032.db2.gz AMXKNPLAAZWQJN-NSHDSACASA-N 2 2 315.418 -1.586 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258412924 780520850 /nfs/dbraw/zinc/52/08/50/780520850.db2.gz CZDCVNMMTUPWLO-CYBMUJFWSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258412924 780520858 /nfs/dbraw/zinc/52/08/58/780520858.db2.gz CZDCVNMMTUPWLO-CYBMUJFWSA-N 2 2 324.425 -1.278 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263150644 780576234 /nfs/dbraw/zinc/57/62/34/780576234.db2.gz HPGCQYKBCODYPQ-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)CC(=O)NC(N)=O ZINC001265018539 780590293 /nfs/dbraw/zinc/59/02/93/780590293.db2.gz VKKDRFCUYYMJBQ-UHFFFAOYSA-N 2 2 310.358 -1.094 20 0 DAADLP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)CC(=O)NC(N)=O ZINC001265018539 780590297 /nfs/dbraw/zinc/59/02/97/780590297.db2.gz VKKDRFCUYYMJBQ-UHFFFAOYSA-N 2 2 310.358 -1.094 20 0 DAADLP C[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)N1CCC1 ZINC001265819651 780608401 /nfs/dbraw/zinc/60/84/01/780608401.db2.gz RSNJKUSJNWOMCM-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)N1CCC1 ZINC001265819651 780608406 /nfs/dbraw/zinc/60/84/06/780608406.db2.gz RSNJKUSJNWOMCM-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)N1CCC1 ZINC001265819651 780608411 /nfs/dbraw/zinc/60/84/11/780608411.db2.gz RSNJKUSJNWOMCM-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)N1CCC1 ZINC001265819651 780608416 /nfs/dbraw/zinc/60/84/16/780608416.db2.gz RSNJKUSJNWOMCM-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279868840 780628394 /nfs/dbraw/zinc/62/83/94/780628394.db2.gz KSQNNACUFFWPIZ-UHFFFAOYSA-N 2 2 309.370 -1.405 20 0 DAADLP C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001282192119 780702811 /nfs/dbraw/zinc/70/28/11/780702811.db2.gz KHQKXKYBHSDQFL-ZJUUUORDSA-N 2 2 317.415 -1.016 20 0 DAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001282478539 780709794 /nfs/dbraw/zinc/70/97/94/780709794.db2.gz PSTHVTQEYOKKGU-SNVBAGLBSA-N 2 2 322.369 -1.060 20 0 DAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001282478539 780709802 /nfs/dbraw/zinc/70/98/02/780709802.db2.gz PSTHVTQEYOKKGU-SNVBAGLBSA-N 2 2 322.369 -1.060 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090848361 781357143 /nfs/dbraw/zinc/35/71/43/781357143.db2.gz FQVWWNHSYNOANN-STQMWFEESA-N 2 2 319.369 -1.274 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090848361 781357152 /nfs/dbraw/zinc/35/71/52/781357152.db2.gz FQVWWNHSYNOANN-STQMWFEESA-N 2 2 319.369 -1.274 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238159 781388272 /nfs/dbraw/zinc/38/82/72/781388272.db2.gz NBKWKDYXYPSEOU-UHFFFAOYSA-N 2 2 324.385 -1.096 20 0 DAADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001171244809 781405725 /nfs/dbraw/zinc/40/57/25/781405725.db2.gz SLVPQDFRJOVFQM-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001146756936 781420511 /nfs/dbraw/zinc/42/05/11/781420511.db2.gz NLFWLQJPMUNNND-NXEZZACHSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC001147878204 781460179 /nfs/dbraw/zinc/46/01/79/781460179.db2.gz UXQQBOHVCPFQSN-GFCCVEGCSA-N 2 2 323.397 -1.084 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001147914622 781460221 /nfs/dbraw/zinc/46/02/21/781460221.db2.gz CEPXKWLHJQDVEG-ZDUSSCGKSA-N 2 2 306.370 -1.074 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001147914621 781460737 /nfs/dbraw/zinc/46/07/37/781460737.db2.gz CEPXKWLHJQDVEG-CYBMUJFWSA-N 2 2 306.370 -1.074 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001147872071 781460835 /nfs/dbraw/zinc/46/08/35/781460835.db2.gz ZLVIVSNEXJXMAW-ZDUSSCGKSA-N 2 2 323.397 -1.036 20 0 DAADLP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC001147878205 781461357 /nfs/dbraw/zinc/46/13/57/781461357.db2.gz UXQQBOHVCPFQSN-LBPRGKRZSA-N 2 2 323.397 -1.084 20 0 DAADLP CCOCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147900458 781461499 /nfs/dbraw/zinc/46/14/99/781461499.db2.gz NTHXIMDVAVFLQS-UHFFFAOYSA-N 2 2 311.386 -1.179 20 0 DAADLP [NH3+]C1(C(=O)N2CCN(c3ncc(O)cn3)CC2)CC[NH2+]CC1 ZINC001161081668 781461557 /nfs/dbraw/zinc/46/15/57/781461557.db2.gz HUUNIWHEXNNZOJ-UHFFFAOYSA-N 2 2 306.370 -1.088 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001147872003 781461686 /nfs/dbraw/zinc/46/16/86/781461686.db2.gz WRIIHVJUGXIJJZ-UHFFFAOYSA-N 2 2 322.369 -1.343 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148905725 781480279 /nfs/dbraw/zinc/48/02/79/781480279.db2.gz KRSKBSKKQMRIFL-UHFFFAOYSA-N 2 2 320.353 -1.388 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148905725 781480285 /nfs/dbraw/zinc/48/02/85/781480285.db2.gz KRSKBSKKQMRIFL-UHFFFAOYSA-N 2 2 320.353 -1.388 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286947 781495910 /nfs/dbraw/zinc/49/59/10/781495910.db2.gz PWFQBILCSXFFTK-IOASZLSFSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286947 781495912 /nfs/dbraw/zinc/49/59/12/781495912.db2.gz PWFQBILCSXFFTK-IOASZLSFSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286947 781495917 /nfs/dbraw/zinc/49/59/17/781495917.db2.gz PWFQBILCSXFFTK-IOASZLSFSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286947 781495922 /nfs/dbraw/zinc/49/59/22/781495922.db2.gz PWFQBILCSXFFTK-IOASZLSFSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094279131 781535030 /nfs/dbraw/zinc/53/50/30/781535030.db2.gz YDHOAJTVCZOYNW-ZDUSSCGKSA-N 2 2 308.386 -1.163 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094279131 781535035 /nfs/dbraw/zinc/53/50/35/781535035.db2.gz YDHOAJTVCZOYNW-ZDUSSCGKSA-N 2 2 308.386 -1.163 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315905 781539856 /nfs/dbraw/zinc/53/98/56/781539856.db2.gz COOUGYFWDLPWEH-BXUZGUMPSA-N 2 2 322.413 -1.059 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315905 781539864 /nfs/dbraw/zinc/53/98/64/781539864.db2.gz COOUGYFWDLPWEH-BXUZGUMPSA-N 2 2 322.413 -1.059 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094759392 781559853 /nfs/dbraw/zinc/55/98/53/781559853.db2.gz IFLOXVYXWXOIBV-LBPRGKRZSA-N 2 2 321.381 -1.415 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC[N@@H+]1C ZINC001094738318 781564319 /nfs/dbraw/zinc/56/43/19/781564319.db2.gz JEDOQQKPIZPOSD-MBNYWOFBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC[N@H+]1C ZINC001094738318 781564323 /nfs/dbraw/zinc/56/43/23/781564323.db2.gz JEDOQQKPIZPOSD-MBNYWOFBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751908 781567692 /nfs/dbraw/zinc/56/76/92/781567692.db2.gz ZECFIMHZTHWAHF-JSGCOSHPSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751908 781567700 /nfs/dbraw/zinc/56/77/00/781567700.db2.gz ZECFIMHZTHWAHF-JSGCOSHPSA-N 2 2 324.425 -1.136 20 0 DAADLP COCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814807 781580248 /nfs/dbraw/zinc/58/02/48/781580248.db2.gz JFVWLQSUTHXBAF-STQMWFEESA-N 2 2 324.425 -1.014 20 0 DAADLP COCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814807 781580257 /nfs/dbraw/zinc/58/02/57/781580257.db2.gz JFVWLQSUTHXBAF-STQMWFEESA-N 2 2 324.425 -1.014 20 0 DAADLP COCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814804 781580729 /nfs/dbraw/zinc/58/07/29/781580729.db2.gz JFVWLQSUTHXBAF-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP COCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814804 781580741 /nfs/dbraw/zinc/58/07/41/781580741.db2.gz JFVWLQSUTHXBAF-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817540 781583192 /nfs/dbraw/zinc/58/31/92/781583192.db2.gz NLOGQBXEVSFKKQ-QWHCGFSZSA-N 2 2 324.425 -1.136 20 0 DAADLP O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001094806505 781584162 /nfs/dbraw/zinc/58/41/62/781584162.db2.gz QUDIWURVWUSTIE-GFCCVEGCSA-N 2 2 322.409 -1.524 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400402 781634797 /nfs/dbraw/zinc/63/47/97/781634797.db2.gz HXECNVFIOYETMX-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001177400725 781634884 /nfs/dbraw/zinc/63/48/84/781634884.db2.gz KRQSSHLLALNRBO-UHFFFAOYSA-N 2 2 309.370 -1.162 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411425 781635010 /nfs/dbraw/zinc/63/50/10/781635010.db2.gz WOQJRPYTQJAFPU-UHFFFAOYSA-N 2 2 303.388 -1.472 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415436 781636506 /nfs/dbraw/zinc/63/65/06/781636506.db2.gz XJEVIRUWBIMUES-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP CC(C)[NH+]1CCN(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001180351894 781670776 /nfs/dbraw/zinc/67/07/76/781670776.db2.gz BYZXEHKGNHHERR-HZSPNIEDSA-N 2 2 311.434 -2.469 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1nncn1C ZINC001151152864 781706252 /nfs/dbraw/zinc/70/62/52/781706252.db2.gz WJIJBKMUWLJAGW-LBPRGKRZSA-N 2 2 310.402 -1.011 20 0 DAADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814279 781851891 /nfs/dbraw/zinc/85/18/91/781851891.db2.gz GTUZQMMPJDGYHR-UONOGXRCSA-N 2 2 315.414 -1.190 20 0 DAADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814278 781853340 /nfs/dbraw/zinc/85/33/40/781853340.db2.gz GTUZQMMPJDGYHR-KGLIPLIRSA-N 2 2 315.414 -1.190 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892601 921742774 /nfs/dbraw/zinc/74/27/74/921742774.db2.gz UDXOMQPYKXMHKY-WDEREUQCSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892601 921742781 /nfs/dbraw/zinc/74/27/81/921742781.db2.gz UDXOMQPYKXMHKY-WDEREUQCSA-N 2 2 311.390 -1.475 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376922514 921748775 /nfs/dbraw/zinc/74/87/75/921748775.db2.gz RKLFGFMTIGIWLW-VIFPVBQESA-N 2 2 308.342 -1.652 20 0 DAADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001376923190 921749704 /nfs/dbraw/zinc/74/97/04/921749704.db2.gz SPWZSVBWDOEMIW-ZJUUUORDSA-N 2 2 308.342 -1.343 20 0 DAADLP COC[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001377086183 921763761 /nfs/dbraw/zinc/76/37/61/921763761.db2.gz QLDWKJWOZODESL-QWHCGFSZSA-N 2 2 315.414 -1.095 20 0 DAADLP CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001377364677 921809797 /nfs/dbraw/zinc/80/97/97/921809797.db2.gz AMAQNLCKBSIIBG-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001377358720 921808541 /nfs/dbraw/zinc/80/85/41/921808541.db2.gz WQNKJVFDIIJWGY-UHFFFAOYSA-N 2 2 309.370 -1.311 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090623756 916111456 /nfs/dbraw/zinc/11/14/56/916111456.db2.gz JRGNPLFOBJGSJV-OLZOCXBDSA-N 2 2 312.414 -1.245 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090623756 916111469 /nfs/dbraw/zinc/11/14/69/916111469.db2.gz JRGNPLFOBJGSJV-OLZOCXBDSA-N 2 2 312.414 -1.245 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187509247 916154927 /nfs/dbraw/zinc/15/49/27/916154927.db2.gz JVRFXAGBZVCABZ-SNVBAGLBSA-N 2 2 322.369 -1.262 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316857627 916232115 /nfs/dbraw/zinc/23/21/15/916232115.db2.gz AUHIMUSSOKRABD-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316857627 916232138 /nfs/dbraw/zinc/23/21/38/916232138.db2.gz AUHIMUSSOKRABD-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN1C(=O)CNC1=O ZINC001317290447 916286033 /nfs/dbraw/zinc/28/60/33/916286033.db2.gz RZFGELGKOGIXOW-JTQLQIEISA-N 2 2 308.342 -1.471 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001317655491 916344722 /nfs/dbraw/zinc/34/47/22/916344722.db2.gz XLDDCBDBYOQJHA-UHFFFAOYSA-N 2 2 324.385 -1.144 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320227790 916478975 /nfs/dbraw/zinc/47/89/75/916478975.db2.gz UYPHJMPCPOYILJ-QWRGUYRKSA-N 2 2 323.353 -1.786 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320227790 916478989 /nfs/dbraw/zinc/47/89/89/916478989.db2.gz UYPHJMPCPOYILJ-QWRGUYRKSA-N 2 2 323.353 -1.786 20 0 DAADLP CS(=O)(=O)NCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001323554430 916734206 /nfs/dbraw/zinc/73/42/06/916734206.db2.gz HAFQVNUSIZZUOV-UHFFFAOYSA-N 2 2 315.399 -1.260 20 0 DAADLP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001325989388 916879302 /nfs/dbraw/zinc/87/93/02/916879302.db2.gz MCNQXCIIGDBNFI-NSHDSACASA-N 2 2 311.390 -1.785 20 0 DAADLP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001325989388 916879318 /nfs/dbraw/zinc/87/93/18/916879318.db2.gz MCNQXCIIGDBNFI-NSHDSACASA-N 2 2 311.390 -1.785 20 0 DAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001326004505 916885667 /nfs/dbraw/zinc/88/56/67/916885667.db2.gz UUWPFJUKGJOLTD-ZDUSSCGKSA-N 2 2 322.413 -1.330 20 0 DAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001326004505 916885680 /nfs/dbraw/zinc/88/56/80/916885680.db2.gz UUWPFJUKGJOLTD-ZDUSSCGKSA-N 2 2 322.413 -1.330 20 0 DAADLP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001326045759 916888109 /nfs/dbraw/zinc/88/81/09/916888109.db2.gz RQIBRNWYRQBKGG-GFCCVEGCSA-N 2 2 323.397 -1.398 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N(CCO)CC[NH2+]CC(=O)N1CCCC1 ZINC001326119985 916899608 /nfs/dbraw/zinc/89/96/08/916899608.db2.gz SHMNYVOYMRDGIK-UHFFFAOYSA-N 2 2 323.397 -1.015 20 0 DAADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001328400602 917084077 /nfs/dbraw/zinc/08/40/77/917084077.db2.gz IXUXKZIJYMMRLM-CABCVRRESA-N 3 2 300.447 -1.359 20 0 DAADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC001328400605 917085128 /nfs/dbraw/zinc/08/51/28/917085128.db2.gz IXUXKZIJYMMRLM-LSDHHAIUSA-N 3 2 300.447 -1.359 20 0 DAADLP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001331737960 917326332 /nfs/dbraw/zinc/32/63/32/917326332.db2.gz JHXCILUNIOKPRU-LLVKDONJSA-N 2 2 309.370 -1.204 20 0 DAADLP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001331737961 917327420 /nfs/dbraw/zinc/32/74/20/917327420.db2.gz JHXCILUNIOKPRU-NSHDSACASA-N 2 2 309.370 -1.204 20 0 DAADLP C[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001332315400 917363731 /nfs/dbraw/zinc/36/37/31/917363731.db2.gz BQGNBTZOESHAQC-ZDUSSCGKSA-N 2 2 323.441 -1.297 20 0 DAADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC001332816053 917411414 /nfs/dbraw/zinc/41/14/14/917411414.db2.gz OJXFZLQHPRESTQ-UHFFFAOYSA-N 3 2 305.448 -1.590 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC001333429084 917441559 /nfs/dbraw/zinc/44/15/59/917441559.db2.gz NQJZGTHUHFCSEX-JGPFYOFESA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC001333429084 917441570 /nfs/dbraw/zinc/44/15/70/917441570.db2.gz NQJZGTHUHFCSEX-JGPFYOFESA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C)C[C@@H]2CO)[C@H](CO)C1 ZINC001333429089 917442340 /nfs/dbraw/zinc/44/23/40/917442340.db2.gz NQJZGTHUHFCSEX-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@H+](C)C[C@@H]2CO)[C@H](CO)C1 ZINC001333429089 917442348 /nfs/dbraw/zinc/44/23/48/917442348.db2.gz NQJZGTHUHFCSEX-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@H+](C)C[C@H]2CO)[C@@H](CO)C1 ZINC001333429089 917442356 /nfs/dbraw/zinc/44/23/56/917442356.db2.gz NQJZGTHUHFCSEX-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C)C[C@H]2CO)[C@@H](CO)C1 ZINC001333429089 917442364 /nfs/dbraw/zinc/44/23/64/917442364.db2.gz NQJZGTHUHFCSEX-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001337472183 917621979 /nfs/dbraw/zinc/62/19/79/917621979.db2.gz VTPRTOHGKZDUJE-UHFFFAOYSA-N 2 2 311.430 -1.440 20 0 DAADLP CN(CCC[NH+](C)C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363994413 918923316 /nfs/dbraw/zinc/92/33/16/918923316.db2.gz DLDKIYANBBFMAJ-UHFFFAOYSA-N 2 2 321.491 -1.048 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971991 919258072 /nfs/dbraw/zinc/25/80/72/919258072.db2.gz CZXVPNNVWCKODH-SNVBAGLBSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971991 919258088 /nfs/dbraw/zinc/25/80/88/919258088.db2.gz CZXVPNNVWCKODH-SNVBAGLBSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971991 919258100 /nfs/dbraw/zinc/25/81/00/919258100.db2.gz CZXVPNNVWCKODH-SNVBAGLBSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971991 919258110 /nfs/dbraw/zinc/25/81/10/919258110.db2.gz CZXVPNNVWCKODH-SNVBAGLBSA-N 2 2 311.386 -1.144 20 0 DAADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001366361380 919318432 /nfs/dbraw/zinc/31/84/32/919318432.db2.gz WJSBXFXGRFAXGZ-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001367043783 919432344 /nfs/dbraw/zinc/43/23/44/919432344.db2.gz WCZLSQYPHGQSJR-LLVKDONJSA-N 2 2 322.369 -1.162 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001367043783 919432362 /nfs/dbraw/zinc/43/23/62/919432362.db2.gz WCZLSQYPHGQSJR-LLVKDONJSA-N 2 2 322.369 -1.162 20 0 DAADLP CN(CC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367509012 919469439 /nfs/dbraw/zinc/46/94/39/919469439.db2.gz QMTPBPSNZZYVAY-ZDUSSCGKSA-N 2 2 310.402 -1.001 20 0 DAADLP CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367509012 919469446 /nfs/dbraw/zinc/46/94/46/919469446.db2.gz QMTPBPSNZZYVAY-ZDUSSCGKSA-N 2 2 310.402 -1.001 20 0 DAADLP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367509012 919469452 /nfs/dbraw/zinc/46/94/52/919469452.db2.gz QMTPBPSNZZYVAY-ZDUSSCGKSA-N 2 2 310.402 -1.001 20 0 DAADLP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367509012 919469454 /nfs/dbraw/zinc/46/94/54/919469454.db2.gz QMTPBPSNZZYVAY-ZDUSSCGKSA-N 2 2 310.402 -1.001 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC)C1 ZINC001367550523 919476259 /nfs/dbraw/zinc/47/62/59/919476259.db2.gz HDAZVDQQGROITR-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC)C1 ZINC001367550523 919476263 /nfs/dbraw/zinc/47/62/63/919476263.db2.gz HDAZVDQQGROITR-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC)C1 ZINC001367550523 919476265 /nfs/dbraw/zinc/47/62/65/919476265.db2.gz HDAZVDQQGROITR-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC)C1 ZINC001367550523 919476266 /nfs/dbraw/zinc/47/62/66/919476266.db2.gz HDAZVDQQGROITR-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001367549261 919477287 /nfs/dbraw/zinc/47/72/87/919477287.db2.gz COKKORMAWYLLBF-LBPRGKRZSA-N 2 2 300.403 -1.170 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001367549261 919477299 /nfs/dbraw/zinc/47/72/99/919477299.db2.gz COKKORMAWYLLBF-LBPRGKRZSA-N 2 2 300.403 -1.170 20 0 DAADLP CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001367624436 919538962 /nfs/dbraw/zinc/53/89/62/919538962.db2.gz AMSPEOYPXAVKFJ-LBPRGKRZSA-N 2 2 309.370 -1.429 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001367629613 919543233 /nfs/dbraw/zinc/54/32/33/919543233.db2.gz NYUZYINCHBEMAP-JQWIXIFHSA-N 2 2 309.370 -1.383 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001367629616 919543553 /nfs/dbraw/zinc/54/35/53/919543553.db2.gz NYUZYINCHBEMAP-ZYHUDNBSSA-N 2 2 309.370 -1.383 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001367708586 919560036 /nfs/dbraw/zinc/56/00/36/919560036.db2.gz YBEGHXLEOIUUAC-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001367770818 919569520 /nfs/dbraw/zinc/56/95/20/919569520.db2.gz HMDODQLJOFPCPJ-VHSXEESVSA-N 2 2 324.385 -1.099 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)C1 ZINC001368043723 919608349 /nfs/dbraw/zinc/60/83/49/919608349.db2.gz BRAAEFZWTKWMIE-NSHDSACASA-N 2 2 323.401 -1.331 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CC2)C1 ZINC001368043723 919608358 /nfs/dbraw/zinc/60/83/58/919608358.db2.gz BRAAEFZWTKWMIE-NSHDSACASA-N 2 2 323.401 -1.331 20 0 DAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001368266321 919651547 /nfs/dbraw/zinc/65/15/47/919651547.db2.gz IDEDLZWRMMUSQJ-KGLIPLIRSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001368266321 919651555 /nfs/dbraw/zinc/65/15/55/919651555.db2.gz IDEDLZWRMMUSQJ-KGLIPLIRSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001368266321 919651561 /nfs/dbraw/zinc/65/15/61/919651561.db2.gz IDEDLZWRMMUSQJ-KGLIPLIRSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001368266321 919651566 /nfs/dbraw/zinc/65/15/66/919651566.db2.gz IDEDLZWRMMUSQJ-KGLIPLIRSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001368266317 919651828 /nfs/dbraw/zinc/65/18/28/919651828.db2.gz IDEDLZWRMMUSQJ-KBPBESRZSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001368266317 919651835 /nfs/dbraw/zinc/65/18/35/919651835.db2.gz IDEDLZWRMMUSQJ-KBPBESRZSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001368266317 919651845 /nfs/dbraw/zinc/65/18/45/919651845.db2.gz IDEDLZWRMMUSQJ-KBPBESRZSA-N 2 2 313.446 -1.060 20 0 DAADLP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001368266317 919651853 /nfs/dbraw/zinc/65/18/53/919651853.db2.gz IDEDLZWRMMUSQJ-KBPBESRZSA-N 2 2 313.446 -1.060 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368274786 919656063 /nfs/dbraw/zinc/65/60/63/919656063.db2.gz UAUCADMOXBZZOT-BXUZGUMPSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368274786 919656069 /nfs/dbraw/zinc/65/60/69/919656069.db2.gz UAUCADMOXBZZOT-BXUZGUMPSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368304172 919681895 /nfs/dbraw/zinc/68/18/95/919681895.db2.gz AAFQZZUMMCMLAS-LBPRGKRZSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368312887 919689629 /nfs/dbraw/zinc/68/96/29/919689629.db2.gz BVOFZDOYYHGNHH-CHWSQXEVSA-N 2 2 317.430 -1.257 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001368392626 919713777 /nfs/dbraw/zinc/71/37/77/919713777.db2.gz AUHAYBDCWGMKKT-VXGBXAGGSA-N 2 2 323.397 -1.270 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001368392615 919714370 /nfs/dbraw/zinc/71/43/70/919714370.db2.gz AUHAYBDCWGMKKT-NWDGAFQWSA-N 2 2 323.397 -1.270 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001368392621 919715813 /nfs/dbraw/zinc/71/58/13/919715813.db2.gz AUHAYBDCWGMKKT-RYUDHWBXSA-N 2 2 323.397 -1.270 20 0 DAADLP CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001368562062 919739534 /nfs/dbraw/zinc/73/95/34/919739534.db2.gz KGVUYFZRSRNJGM-UHFFFAOYSA-N 2 2 324.385 -1.062 20 0 DAADLP CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001368562062 919739549 /nfs/dbraw/zinc/73/95/49/919739549.db2.gz KGVUYFZRSRNJGM-UHFFFAOYSA-N 2 2 324.385 -1.062 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368541836 919740734 /nfs/dbraw/zinc/74/07/34/919740734.db2.gz NQOQMEFCNHVFHJ-PHIMTYICSA-N 2 2 322.369 -1.177 20 0 DAADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001368648984 919753375 /nfs/dbraw/zinc/75/33/75/919753375.db2.gz FSMGPAWTUYDLJJ-WDEREUQCSA-N 2 2 322.369 -1.095 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001368636890 919754571 /nfs/dbraw/zinc/75/45/71/919754571.db2.gz LNKWGDIJCRRMDG-UHFFFAOYSA-N 2 2 309.370 -1.297 20 0 DAADLP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368768794 919770920 /nfs/dbraw/zinc/77/09/20/919770920.db2.gz MKERLAYMGGGRFX-GFCCVEGCSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001368768794 919770935 /nfs/dbraw/zinc/77/09/35/919770935.db2.gz MKERLAYMGGGRFX-GFCCVEGCSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001368887623 919785704 /nfs/dbraw/zinc/78/57/04/919785704.db2.gz LTMXGEHWOVAWKK-BDAKNGLRSA-N 2 2 310.358 -1.109 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001368969246 919789429 /nfs/dbraw/zinc/78/94/29/919789429.db2.gz UWPWGKCKJSRLBW-SECBINFHSA-N 2 2 310.358 -1.177 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001368969246 919789437 /nfs/dbraw/zinc/78/94/37/919789437.db2.gz UWPWGKCKJSRLBW-SECBINFHSA-N 2 2 310.358 -1.177 20 0 DAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001369214752 919830062 /nfs/dbraw/zinc/83/00/62/919830062.db2.gz FQRWYOVOGBEWKI-NSHDSACASA-N 2 2 322.369 -1.026 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314966 919850284 /nfs/dbraw/zinc/85/02/84/919850284.db2.gz SVABLIPKAGBDQK-VXGBXAGGSA-N 2 2 314.386 -2.384 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314966 919850299 /nfs/dbraw/zinc/85/02/99/919850299.db2.gz SVABLIPKAGBDQK-VXGBXAGGSA-N 2 2 314.386 -2.384 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314961 919850523 /nfs/dbraw/zinc/85/05/23/919850523.db2.gz SVABLIPKAGBDQK-RYUDHWBXSA-N 2 2 314.386 -2.384 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314961 919850532 /nfs/dbraw/zinc/85/05/32/919850532.db2.gz SVABLIPKAGBDQK-RYUDHWBXSA-N 2 2 314.386 -2.384 20 0 DAADLP CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001369380946 919915103 /nfs/dbraw/zinc/91/51/03/919915103.db2.gz WTNZSVZHGRDOGC-RYUDHWBXSA-N 2 2 323.397 -1.052 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369382921 919917266 /nfs/dbraw/zinc/91/72/66/919917266.db2.gz PRVSRUSCOYZEKK-RYUDHWBXSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369382921 919917280 /nfs/dbraw/zinc/91/72/80/919917280.db2.gz PRVSRUSCOYZEKK-RYUDHWBXSA-N 2 2 310.402 -1.276 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369476608 919952536 /nfs/dbraw/zinc/95/25/36/919952536.db2.gz BDDZIZYSGHMYSF-ZYHUDNBSSA-N 2 2 311.386 -1.494 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]cn1C ZINC001369477056 919954187 /nfs/dbraw/zinc/95/41/87/919954187.db2.gz CLPCACUEFPMUCA-OLZOCXBDSA-N 2 2 323.397 -1.398 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001369489996 919961358 /nfs/dbraw/zinc/96/13/58/919961358.db2.gz YMRYKLODOLDLHO-WDEREUQCSA-N 2 2 323.397 -1.015 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001369486326 919961682 /nfs/dbraw/zinc/96/16/82/919961682.db2.gz SLWSPMNVWUSGAN-QWRGUYRKSA-N 2 2 311.386 -1.162 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001370016945 920030840 /nfs/dbraw/zinc/03/08/40/920030840.db2.gz NDQCHXTWHLQZBU-LLVKDONJSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001370016945 920030852 /nfs/dbraw/zinc/03/08/52/920030852.db2.gz NDQCHXTWHLQZBU-LLVKDONJSA-N 2 2 311.386 -1.286 20 0 DAADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(=O)NC(N)=O ZINC001370406766 920055137 /nfs/dbraw/zinc/05/51/37/920055137.db2.gz XNWGTTWDOPVTSK-ZJUUUORDSA-N 2 2 322.369 -1.264 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724912 920142613 /nfs/dbraw/zinc/14/26/13/920142613.db2.gz NAPHPUDKTUPKAH-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370724912 920142625 /nfs/dbraw/zinc/14/26/25/920142625.db2.gz NAPHPUDKTUPKAH-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370730142 920145444 /nfs/dbraw/zinc/14/54/44/920145444.db2.gz ZLTZJCILSZRSOG-LBPRGKRZSA-N 2 2 320.353 -1.318 20 0 DAADLP C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001370783105 920174637 /nfs/dbraw/zinc/17/46/37/920174637.db2.gz YBORJFZMAFKREB-LBPRGKRZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371146646 920233857 /nfs/dbraw/zinc/23/38/57/920233857.db2.gz VVEBPCXIQJWSNO-VHSXEESVSA-N 2 2 312.374 -1.967 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371146646 920233873 /nfs/dbraw/zinc/23/38/73/920233873.db2.gz VVEBPCXIQJWSNO-VHSXEESVSA-N 2 2 312.374 -1.967 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001371438242 920251572 /nfs/dbraw/zinc/25/15/72/920251572.db2.gz HTAOAVNVZBMHPF-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001371475762 920266264 /nfs/dbraw/zinc/26/62/64/920266264.db2.gz UNBBLGVBOPGPFK-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001371490649 920269672 /nfs/dbraw/zinc/26/96/72/920269672.db2.gz SJNIOBBAUSEJMQ-SNVBAGLBSA-N 2 2 310.358 -1.048 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373255329 920469153 /nfs/dbraw/zinc/46/91/53/920469153.db2.gz VLWJKIIEEKKMJM-LLVKDONJSA-N 2 2 322.369 -1.094 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373255329 920469165 /nfs/dbraw/zinc/46/91/65/920469165.db2.gz VLWJKIIEEKKMJM-LLVKDONJSA-N 2 2 322.369 -1.094 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373546168 920520565 /nfs/dbraw/zinc/52/05/65/920520565.db2.gz MKDHNZVIOVUPRE-JTQLQIEISA-N 2 2 313.402 -1.040 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373546168 920520582 /nfs/dbraw/zinc/52/05/82/920520582.db2.gz MKDHNZVIOVUPRE-JTQLQIEISA-N 2 2 313.402 -1.040 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373546176 920520886 /nfs/dbraw/zinc/52/08/86/920520886.db2.gz MKDHNZVIOVUPRE-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373546176 920520903 /nfs/dbraw/zinc/52/09/03/920520903.db2.gz MKDHNZVIOVUPRE-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373645198 920544092 /nfs/dbraw/zinc/54/40/92/920544092.db2.gz FFTGTLBSGMYMAN-WDEREUQCSA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373645198 920544106 /nfs/dbraw/zinc/54/41/06/920544106.db2.gz FFTGTLBSGMYMAN-WDEREUQCSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373645198 920544119 /nfs/dbraw/zinc/54/41/19/920544119.db2.gz FFTGTLBSGMYMAN-WDEREUQCSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373645198 920544131 /nfs/dbraw/zinc/54/41/31/920544131.db2.gz FFTGTLBSGMYMAN-WDEREUQCSA-N 2 2 311.386 -1.286 20 0 DAADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001374312034 920601817 /nfs/dbraw/zinc/60/18/17/920601817.db2.gz IPAFLKUMNJWQOE-ZJUUUORDSA-N 2 2 324.385 -1.018 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001374624630 920656330 /nfs/dbraw/zinc/65/63/30/920656330.db2.gz OUXUDVYXXQOXKE-VIFPVBQESA-N 2 2 313.358 -1.838 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001374653347 920675259 /nfs/dbraw/zinc/67/52/59/920675259.db2.gz PXKQBYRYFDBWOV-NWDGAFQWSA-N 2 2 309.370 -1.360 20 0 DAADLP CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001374672868 920684178 /nfs/dbraw/zinc/68/41/78/920684178.db2.gz ALMRFXRCWPBUDW-CHWSQXEVSA-N 2 2 323.397 -1.041 20 0 DAADLP CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001374672872 920684637 /nfs/dbraw/zinc/68/46/37/920684637.db2.gz ALMRFXRCWPBUDW-OLZOCXBDSA-N 2 2 323.397 -1.041 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001374669224 920684693 /nfs/dbraw/zinc/68/46/93/920684693.db2.gz JBQRCBOXKYNSAO-LBPRGKRZSA-N 2 2 307.358 -1.642 20 0 DAADLP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001374678514 920689958 /nfs/dbraw/zinc/68/99/58/920689958.db2.gz UXSMVUPYHJPOGM-GFCCVEGCSA-N 2 2 320.353 -1.051 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001376045429 920832633 /nfs/dbraw/zinc/83/26/33/920832633.db2.gz DDHUIIPQCDQFSE-CZUORRHYSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001376045429 920832648 /nfs/dbraw/zinc/83/26/48/920832648.db2.gz DDHUIIPQCDQFSE-CZUORRHYSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376045429 920832664 /nfs/dbraw/zinc/83/26/64/920832664.db2.gz DDHUIIPQCDQFSE-CZUORRHYSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376045429 920832672 /nfs/dbraw/zinc/83/26/72/920832672.db2.gz DDHUIIPQCDQFSE-CZUORRHYSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001376059003 920840001 /nfs/dbraw/zinc/84/00/01/920840001.db2.gz UHSOWTFHPKEHJD-SWLSCSKDSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001376059003 920840007 /nfs/dbraw/zinc/84/00/07/920840007.db2.gz UHSOWTFHPKEHJD-SWLSCSKDSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001376058941 920840764 /nfs/dbraw/zinc/84/07/64/920840764.db2.gz UHSOWTFHPKEHJD-DOMZBBRYSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001376058941 920840773 /nfs/dbraw/zinc/84/07/73/920840773.db2.gz UHSOWTFHPKEHJD-DOMZBBRYSA-N 2 2 308.382 -1.009 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001376071204 920842807 /nfs/dbraw/zinc/84/28/07/920842807.db2.gz KRDNFXCXHZRXHM-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001376071204 920842822 /nfs/dbraw/zinc/84/28/22/920842822.db2.gz KRDNFXCXHZRXHM-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001376071204 920842834 /nfs/dbraw/zinc/84/28/34/920842834.db2.gz KRDNFXCXHZRXHM-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001376071204 920842849 /nfs/dbraw/zinc/84/28/49/920842849.db2.gz KRDNFXCXHZRXHM-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001376095586 920855009 /nfs/dbraw/zinc/85/50/09/920855009.db2.gz MJYWUOULEKFZII-MRXNPFEDSA-N 2 2 324.425 -1.133 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001376095586 920855022 /nfs/dbraw/zinc/85/50/22/920855022.db2.gz MJYWUOULEKFZII-MRXNPFEDSA-N 2 2 324.425 -1.133 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001376101283 920856626 /nfs/dbraw/zinc/85/66/26/920856626.db2.gz CFAAEFOOINZEEX-QWHCGFSZSA-N 2 2 311.430 -1.454 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001376101283 920856635 /nfs/dbraw/zinc/85/66/35/920856635.db2.gz CFAAEFOOINZEEX-QWHCGFSZSA-N 2 2 311.430 -1.454 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376279194 920912266 /nfs/dbraw/zinc/91/22/66/920912266.db2.gz UEQMWHSRRXPNKT-STQMWFEESA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376279194 920912276 /nfs/dbraw/zinc/91/22/76/920912276.db2.gz UEQMWHSRRXPNKT-STQMWFEESA-N 2 2 315.414 -1.502 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505643 920960256 /nfs/dbraw/zinc/96/02/56/920960256.db2.gz WZTNVDQVTOVQTA-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505643 920960271 /nfs/dbraw/zinc/96/02/71/920960271.db2.gz WZTNVDQVTOVQTA-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001376505643 920960292 /nfs/dbraw/zinc/96/02/92/920960292.db2.gz WZTNVDQVTOVQTA-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505643 920960315 /nfs/dbraw/zinc/96/03/15/920960315.db2.gz WZTNVDQVTOVQTA-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505646 920961314 /nfs/dbraw/zinc/96/13/14/920961314.db2.gz WZTNVDQVTOVQTA-UKRRQHHQSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505646 920961326 /nfs/dbraw/zinc/96/13/26/920961326.db2.gz WZTNVDQVTOVQTA-UKRRQHHQSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001376505646 920961337 /nfs/dbraw/zinc/96/13/37/920961337.db2.gz WZTNVDQVTOVQTA-UKRRQHHQSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505646 920961353 /nfs/dbraw/zinc/96/13/53/920961353.db2.gz WZTNVDQVTOVQTA-UKRRQHHQSA-N 2 2 315.414 -1.358 20 0 DAADLP CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)Cn2cc[nH+]c2)C1=O ZINC001376549640 920978281 /nfs/dbraw/zinc/97/82/81/920978281.db2.gz OXKQPTGYTMEEED-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(=O)NC(N)=O ZINC001376757092 921026880 /nfs/dbraw/zinc/02/68/80/921026880.db2.gz HSWBVLIMFPBMEU-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001376780784 921030903 /nfs/dbraw/zinc/03/09/03/921030903.db2.gz XCZOGLKNMLTZLE-NXEZZACHSA-N 2 2 310.358 -1.049 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001377439012 921819818 /nfs/dbraw/zinc/81/98/18/921819818.db2.gz CQCIPGIRMZVXGP-LLVKDONJSA-N 2 2 322.369 -1.175 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377439012 921819831 /nfs/dbraw/zinc/81/98/31/921819831.db2.gz CQCIPGIRMZVXGP-LLVKDONJSA-N 2 2 322.369 -1.175 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001377439020 921822320 /nfs/dbraw/zinc/82/23/20/921822320.db2.gz CQCIPGIRMZVXGP-NSHDSACASA-N 2 2 322.369 -1.175 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377439020 921822333 /nfs/dbraw/zinc/82/23/33/921822333.db2.gz CQCIPGIRMZVXGP-NSHDSACASA-N 2 2 322.369 -1.175 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377476981 921827849 /nfs/dbraw/zinc/82/78/49/921827849.db2.gz KSBBILQZEFCQHM-SNVBAGLBSA-N 2 2 308.342 -1.484 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377476981 921827862 /nfs/dbraw/zinc/82/78/62/921827862.db2.gz KSBBILQZEFCQHM-SNVBAGLBSA-N 2 2 308.342 -1.484 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001378022786 921900314 /nfs/dbraw/zinc/90/03/14/921900314.db2.gz GFZMGCRUNCWZFW-SECBINFHSA-N 2 2 322.369 -1.177 20 0 DAADLP CS(=O)(=O)NCC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001378021645 921900650 /nfs/dbraw/zinc/90/06/50/921900650.db2.gz CLAYZOKQCCCADG-UHFFFAOYSA-N 2 2 318.443 -1.321 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC001378055416 921910136 /nfs/dbraw/zinc/91/01/36/921910136.db2.gz PGLXMPJSEPQEHP-RYUDHWBXSA-N 2 2 318.443 -1.180 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC001378055416 921910142 /nfs/dbraw/zinc/91/01/42/921910142.db2.gz PGLXMPJSEPQEHP-RYUDHWBXSA-N 2 2 318.443 -1.180 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001378055416 921910153 /nfs/dbraw/zinc/91/01/53/921910153.db2.gz PGLXMPJSEPQEHP-RYUDHWBXSA-N 2 2 318.443 -1.180 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001378055416 921910159 /nfs/dbraw/zinc/91/01/59/921910159.db2.gz PGLXMPJSEPQEHP-RYUDHWBXSA-N 2 2 318.443 -1.180 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001378108187 921916545 /nfs/dbraw/zinc/91/65/45/921916545.db2.gz IFKYXWCGHWFXRN-GHMZBOCLSA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001378108187 921916562 /nfs/dbraw/zinc/91/65/62/921916562.db2.gz IFKYXWCGHWFXRN-GHMZBOCLSA-N 2 2 322.369 -1.035 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378180926 921927253 /nfs/dbraw/zinc/92/72/53/921927253.db2.gz FAQHBWRXZOXDSA-UWVGGRQHSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378180926 921927269 /nfs/dbraw/zinc/92/72/69/921927269.db2.gz FAQHBWRXZOXDSA-UWVGGRQHSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001378223079 921934480 /nfs/dbraw/zinc/93/44/80/921934480.db2.gz AEAZLXDYOZEWIH-NXEZZACHSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001378223079 921934492 /nfs/dbraw/zinc/93/44/92/921934492.db2.gz AEAZLXDYOZEWIH-NXEZZACHSA-N 2 2 310.358 -1.097 20 0 DAADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(=O)NC ZINC001378292312 921946151 /nfs/dbraw/zinc/94/61/51/921946151.db2.gz KZUYRTBJZJKNSG-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(=O)NC ZINC001378315295 921950199 /nfs/dbraw/zinc/95/01/99/921950199.db2.gz HGZIASYZHBWQRE-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378493569 921968478 /nfs/dbraw/zinc/96/84/78/921968478.db2.gz HUCZVDNQIXUNGG-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378493569 921968493 /nfs/dbraw/zinc/96/84/93/921968493.db2.gz HUCZVDNQIXUNGG-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]CC(=O)NC(N)=O ZINC001378584017 921980661 /nfs/dbraw/zinc/98/06/61/921980661.db2.gz BXQLGTFVSCORQC-JTQLQIEISA-N 2 2 310.358 -1.190 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001378802373 922010268 /nfs/dbraw/zinc/01/02/68/922010268.db2.gz HUWDFZPKRXDFFM-SNVBAGLBSA-N 2 2 310.358 -1.095 20 0 DAADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378862764 922015489 /nfs/dbraw/zinc/01/54/89/922015489.db2.gz GUZICDAONXTESN-NWDGAFQWSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378862764 922015494 /nfs/dbraw/zinc/01/54/94/922015494.db2.gz GUZICDAONXTESN-NWDGAFQWSA-N 2 2 300.403 -1.077 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001378889082 922016952 /nfs/dbraw/zinc/01/69/52/922016952.db2.gz CNYPONJXQKLDQP-XYPYZODXSA-N 2 2 322.369 -1.177 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379182576 922052337 /nfs/dbraw/zinc/05/23/37/922052337.db2.gz OUSGGPDJUBONFX-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379182576 922052351 /nfs/dbraw/zinc/05/23/51/922052351.db2.gz OUSGGPDJUBONFX-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379182548 922053532 /nfs/dbraw/zinc/05/35/32/922053532.db2.gz OUSGGPDJUBONFX-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379182548 922053545 /nfs/dbraw/zinc/05/35/45/922053545.db2.gz OUSGGPDJUBONFX-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379184354 922057426 /nfs/dbraw/zinc/05/74/26/922057426.db2.gz RFBZIBDDDIYXQP-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379184354 922057440 /nfs/dbraw/zinc/05/74/40/922057440.db2.gz RFBZIBDDDIYXQP-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379240008 922092956 /nfs/dbraw/zinc/09/29/56/922092956.db2.gz XMKHXZSYQXZKNJ-NEPJUHHUSA-N 2 2 323.397 -1.302 20 0 DAADLP C[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001379247089 922097652 /nfs/dbraw/zinc/09/76/52/922097652.db2.gz KQKUPLSTJNEVPU-NEPJUHHUSA-N 2 2 311.386 -1.011 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255984 922099608 /nfs/dbraw/zinc/09/96/08/922099608.db2.gz SVLQTUDMCWVMMB-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255984 922099626 /nfs/dbraw/zinc/09/96/26/922099626.db2.gz SVLQTUDMCWVMMB-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255985 922101005 /nfs/dbraw/zinc/10/10/05/922101005.db2.gz SVLQTUDMCWVMMB-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255985 922101019 /nfs/dbraw/zinc/10/10/19/922101019.db2.gz SVLQTUDMCWVMMB-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379289046 922114673 /nfs/dbraw/zinc/11/46/73/922114673.db2.gz NUJANJAAISWOPP-LBPRGKRZSA-N 2 2 307.358 -1.413 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001379282227 922115300 /nfs/dbraw/zinc/11/53/00/922115300.db2.gz RPYDXWNFJXBIAX-QWRGUYRKSA-N 2 2 309.370 -1.442 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379289042 922117402 /nfs/dbraw/zinc/11/74/02/922117402.db2.gz NUJANJAAISWOPP-GFCCVEGCSA-N 2 2 307.358 -1.413 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379374730 922143486 /nfs/dbraw/zinc/14/34/86/922143486.db2.gz OLLQFCVAUOFEOI-MNOVXSKESA-N 2 2 302.375 -2.480 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379374730 922143492 /nfs/dbraw/zinc/14/34/92/922143492.db2.gz OLLQFCVAUOFEOI-MNOVXSKESA-N 2 2 302.375 -2.480 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001379411433 922162073 /nfs/dbraw/zinc/16/20/73/922162073.db2.gz NRZWPZHUAFRJJN-GFCCVEGCSA-N 2 2 310.402 -1.134 20 0 DAADLP CCn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001379465065 922184530 /nfs/dbraw/zinc/18/45/30/922184530.db2.gz NAVLHIIJKPVXHB-QWHCGFSZSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001379465065 922184540 /nfs/dbraw/zinc/18/45/40/922184540.db2.gz NAVLHIIJKPVXHB-QWHCGFSZSA-N 2 2 310.402 -1.041 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001379473566 922193418 /nfs/dbraw/zinc/19/34/18/922193418.db2.gz QLESMMSAUSHVEI-STQMWFEESA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001379473566 922193427 /nfs/dbraw/zinc/19/34/27/922193427.db2.gz QLESMMSAUSHVEI-STQMWFEESA-N 2 2 312.414 -1.230 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379474304 922193520 /nfs/dbraw/zinc/19/35/20/922193520.db2.gz RJOIFKRZMBMFTR-RYUDHWBXSA-N 2 2 300.403 -1.327 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379474304 922193522 /nfs/dbraw/zinc/19/35/22/922193522.db2.gz RJOIFKRZMBMFTR-RYUDHWBXSA-N 2 2 300.403 -1.327 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001379506946 922206007 /nfs/dbraw/zinc/20/60/07/922206007.db2.gz ATBVKGSXBXZNQM-GFCCVEGCSA-N 2 2 323.397 -1.050 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001379507177 922207490 /nfs/dbraw/zinc/20/74/90/922207490.db2.gz UVWVUXDPJIJUBP-GFCCVEGCSA-N 2 2 308.386 -1.522 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001379516515 922215267 /nfs/dbraw/zinc/21/52/67/922215267.db2.gz TZGRUQGPMRRCIS-LLVKDONJSA-N 2 2 307.358 -1.381 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC001379525559 922217122 /nfs/dbraw/zinc/21/71/22/922217122.db2.gz IZKSAHNFDFXDDH-NSHDSACASA-N 2 2 318.399 -1.697 20 0 DAADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001379793794 922263043 /nfs/dbraw/zinc/26/30/43/922263043.db2.gz UQZRVFVJCJQTLZ-VXGBXAGGSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001379793794 922263060 /nfs/dbraw/zinc/26/30/60/922263060.db2.gz UQZRVFVJCJQTLZ-VXGBXAGGSA-N 2 2 300.403 -1.124 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCn1cc[nH+]c1 ZINC001379823903 922272304 /nfs/dbraw/zinc/27/23/04/922272304.db2.gz NWXLUQSSKXPXHA-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001379846752 922281544 /nfs/dbraw/zinc/28/15/44/922281544.db2.gz XSEGTTNYYUQECZ-LBPRGKRZSA-N 2 2 309.370 -1.407 20 0 DAADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379984011 922313384 /nfs/dbraw/zinc/31/33/84/922313384.db2.gz VSIFRFRPXGCETK-JQWIXIFHSA-N 2 2 311.386 -1.413 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379984011 922313399 /nfs/dbraw/zinc/31/33/99/922313399.db2.gz VSIFRFRPXGCETK-JQWIXIFHSA-N 2 2 311.386 -1.413 20 0 DAADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379984021 922314788 /nfs/dbraw/zinc/31/47/88/922314788.db2.gz VSIFRFRPXGCETK-ZYHUDNBSSA-N 2 2 311.386 -1.413 20 0 DAADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379984021 922314801 /nfs/dbraw/zinc/31/48/01/922314801.db2.gz VSIFRFRPXGCETK-ZYHUDNBSSA-N 2 2 311.386 -1.413 20 0 DAADLP Cn1nnnc1C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001380154433 922334584 /nfs/dbraw/zinc/33/45/84/922334584.db2.gz YAYKLGVEJRTRNK-UHFFFAOYSA-N 2 2 323.401 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922397510 /nfs/dbraw/zinc/39/75/10/922397510.db2.gz NIJFCMLCEBMYDW-OAHLLOKOSA-N 2 2 323.397 -1.119 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001380573162 922397526 /nfs/dbraw/zinc/39/75/26/922397526.db2.gz NIJFCMLCEBMYDW-OAHLLOKOSA-N 2 2 323.397 -1.119 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001380573160 922397849 /nfs/dbraw/zinc/39/78/49/922397849.db2.gz NIJFCMLCEBMYDW-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001380573160 922397864 /nfs/dbraw/zinc/39/78/64/922397864.db2.gz NIJFCMLCEBMYDW-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001380577391 922399642 /nfs/dbraw/zinc/39/96/42/922399642.db2.gz JLLXWUJNRSMLIH-STQMWFEESA-N 2 2 313.398 -1.484 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001380577391 922399649 /nfs/dbraw/zinc/39/96/49/922399649.db2.gz JLLXWUJNRSMLIH-STQMWFEESA-N 2 2 313.398 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ZINC001382274912 922658835 /nfs/dbraw/zinc/65/88/35/922658835.db2.gz QHULOYBRSKEAHO-AAEUAGOBSA-N 2 2 310.402 -1.184 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001382274912 922658840 /nfs/dbraw/zinc/65/88/40/922658840.db2.gz QHULOYBRSKEAHO-AAEUAGOBSA-N 2 2 310.402 -1.184 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001382397525 922719201 /nfs/dbraw/zinc/71/92/01/922719201.db2.gz BMMYOMRGHBXCPO-YPMHNXCESA-N 2 2 323.397 -1.400 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001382397523 922719843 /nfs/dbraw/zinc/71/98/43/922719843.db2.gz BMMYOMRGHBXCPO-DGCLKSJQSA-N 2 2 323.397 -1.400 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001382397524 922721188 /nfs/dbraw/zinc/72/11/88/922721188.db2.gz BMMYOMRGHBXCPO-WCQYABFASA-N 2 2 323.397 -1.400 20 0 DAADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464719 922768947 /nfs/dbraw/zinc/76/89/47/922768947.db2.gz CDSUTXIBMASBOI-VXGBXAGGSA-N 2 2 311.386 -1.033 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382464719 922768960 /nfs/dbraw/zinc/76/89/60/922768960.db2.gz CDSUTXIBMASBOI-VXGBXAGGSA-N 2 2 311.386 -1.033 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382952805 922855367 /nfs/dbraw/zinc/85/53/67/922855367.db2.gz LMEPRPNRGJVIRU-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001382952805 922855384 /nfs/dbraw/zinc/85/53/84/922855384.db2.gz LMEPRPNRGJVIRU-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890696 922959399 /nfs/dbraw/zinc/95/93/99/922959399.db2.gz HWXXQYHFTKMFJP-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890696 922959416 /nfs/dbraw/zinc/95/94/16/922959416.db2.gz HWXXQYHFTKMFJP-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058852 923038959 /nfs/dbraw/zinc/03/89/59/923038959.db2.gz ZALTXRWEACJNNI-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058852 923038974 /nfs/dbraw/zinc/03/89/74/923038974.db2.gz ZALTXRWEACJNNI-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058849 923039633 /nfs/dbraw/zinc/03/96/33/923039633.db2.gz ZALTXRWEACJNNI-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058849 923039646 /nfs/dbraw/zinc/03/96/46/923039646.db2.gz ZALTXRWEACJNNI-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001384228770 923067994 /nfs/dbraw/zinc/06/79/94/923067994.db2.gz ZGKNWBDRPLGCES-QWHCGFSZSA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384228770 923068012 /nfs/dbraw/zinc/06/80/12/923068012.db2.gz ZGKNWBDRPLGCES-QWHCGFSZSA-N 2 2 323.397 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001384238007 923071974 /nfs/dbraw/zinc/07/19/74/923071974.db2.gz ZLOBPQBPOCSFAI-NEPJUHHUSA-N 2 2 309.370 -1.477 20 0 DAADLP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001384262334 923082604 /nfs/dbraw/zinc/08/26/04/923082604.db2.gz UBRORMULLPGKJN-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001384262334 923082620 /nfs/dbraw/zinc/08/26/20/923082620.db2.gz UBRORMULLPGKJN-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001384740916 923108670 /nfs/dbraw/zinc/10/86/70/923108670.db2.gz NXXMXRUUDWEVBK-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001384739204 923109240 /nfs/dbraw/zinc/10/92/40/923109240.db2.gz FAPBLBWUZRPUAT-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001388732130 923496872 /nfs/dbraw/zinc/49/68/72/923496872.db2.gz AUKUOSKKLCYAHY-MGCOHNPYSA-N 2 2 322.369 -1.358 20 0 DAADLP O=C(C[NH+]1CCCC1)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001389437655 923621983 /nfs/dbraw/zinc/62/19/83/923621983.db2.gz OSIAXENTPMUKTG-AWEZNQCLSA-N 2 2 323.441 -1.296 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389479095 923636322 /nfs/dbraw/zinc/63/63/22/923636322.db2.gz QTZJCDDDWMQASU-SNVBAGLBSA-N 2 2 308.342 -1.423 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389479095 923636329 /nfs/dbraw/zinc/63/63/29/923636329.db2.gz QTZJCDDDWMQASU-SNVBAGLBSA-N 2 2 308.342 -1.423 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514191 923638019 /nfs/dbraw/zinc/63/80/19/923638019.db2.gz SIHSMDNRUOFJLI-NWDGAFQWSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514191 923638046 /nfs/dbraw/zinc/63/80/46/923638046.db2.gz SIHSMDNRUOFJLI-NWDGAFQWSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514191 923638060 /nfs/dbraw/zinc/63/80/60/923638060.db2.gz SIHSMDNRUOFJLI-NWDGAFQWSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514191 923638075 /nfs/dbraw/zinc/63/80/75/923638075.db2.gz SIHSMDNRUOFJLI-NWDGAFQWSA-N 2 2 318.443 -1.322 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390583684 923762071 /nfs/dbraw/zinc/76/20/71/923762071.db2.gz SOJAWNNXSONDNQ-JTQLQIEISA-N 2 2 308.342 -1.471 20 0 DAADLP C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390742778 923775731 /nfs/dbraw/zinc/77/57/31/923775731.db2.gz OFXKXEGKSOZEBT-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390742778 923775740 /nfs/dbraw/zinc/77/57/40/923775740.db2.gz OFXKXEGKSOZEBT-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390742778 923775749 /nfs/dbraw/zinc/77/57/49/923775749.db2.gz OFXKXEGKSOZEBT-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390742778 923775758 /nfs/dbraw/zinc/77/57/58/923775758.db2.gz OFXKXEGKSOZEBT-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913078 923793031 /nfs/dbraw/zinc/79/30/31/923793031.db2.gz ZTTKRYXZJUIUFF-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913078 923793045 /nfs/dbraw/zinc/79/30/45/923793045.db2.gz ZTTKRYXZJUIUFF-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913078 923793048 /nfs/dbraw/zinc/79/30/48/923793048.db2.gz ZTTKRYXZJUIUFF-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)C(=O)NC ZINC001390913078 923793070 /nfs/dbraw/zinc/79/30/70/923793070.db2.gz ZTTKRYXZJUIUFF-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391386528 923833107 /nfs/dbraw/zinc/83/31/07/923833107.db2.gz ADHWCYBDEWAUQH-IHRRRGAJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391386528 923833117 /nfs/dbraw/zinc/83/31/17/923833117.db2.gz ADHWCYBDEWAUQH-IHRRRGAJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391386528 923833123 /nfs/dbraw/zinc/83/31/23/923833123.db2.gz ADHWCYBDEWAUQH-IHRRRGAJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391386528 923833129 /nfs/dbraw/zinc/83/31/29/923833129.db2.gz ADHWCYBDEWAUQH-IHRRRGAJSA-N 2 2 315.414 -1.095 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001391515232 923850414 /nfs/dbraw/zinc/85/04/14/923850414.db2.gz NNDGELFZROLGRJ-LBPRGKRZSA-N 2 2 318.443 -1.465 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001391515232 923850428 /nfs/dbraw/zinc/85/04/28/923850428.db2.gz NNDGELFZROLGRJ-LBPRGKRZSA-N 2 2 318.443 -1.465 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391621572 923864099 /nfs/dbraw/zinc/86/40/99/923864099.db2.gz MEYCTSCFJPZYBV-MNOVXSKESA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391621572 923864108 /nfs/dbraw/zinc/86/41/08/923864108.db2.gz MEYCTSCFJPZYBV-MNOVXSKESA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621572 923864118 /nfs/dbraw/zinc/86/41/18/923864118.db2.gz MEYCTSCFJPZYBV-MNOVXSKESA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621572 923864129 /nfs/dbraw/zinc/86/41/29/923864129.db2.gz MEYCTSCFJPZYBV-MNOVXSKESA-N 2 2 311.386 -1.334 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001391950582 923886215 /nfs/dbraw/zinc/88/62/15/923886215.db2.gz RBLOZADDHIDRGT-ZJUUUORDSA-N 2 2 324.385 -1.112 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392147445 923945265 /nfs/dbraw/zinc/94/52/65/923945265.db2.gz UJNUGTJSJMGGFA-CHWSQXEVSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392147445 923945273 /nfs/dbraw/zinc/94/52/73/923945273.db2.gz UJNUGTJSJMGGFA-CHWSQXEVSA-N 2 2 323.397 -1.350 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001392179605 923946713 /nfs/dbraw/zinc/94/67/13/923946713.db2.gz HIDHHVIFCRISIP-ONGXEEELSA-N 2 2 322.369 -1.026 20 0 DAADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001392251320 923952948 /nfs/dbraw/zinc/95/29/48/923952948.db2.gz GDHCMSHZUSRTQI-JTQLQIEISA-N 2 2 310.358 -1.192 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392273186 923955209 /nfs/dbraw/zinc/95/52/09/923955209.db2.gz RSRLLGNDIMMARV-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392273186 923955218 /nfs/dbraw/zinc/95/52/18/923955218.db2.gz RSRLLGNDIMMARV-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392273186 923955229 /nfs/dbraw/zinc/95/52/29/923955229.db2.gz RSRLLGNDIMMARV-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392273186 923955240 /nfs/dbraw/zinc/95/52/40/923955240.db2.gz RSRLLGNDIMMARV-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392273188 923956298 /nfs/dbraw/zinc/95/62/98/923956298.db2.gz RSRLLGNDIMMARV-VXGBXAGGSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392273188 923956310 /nfs/dbraw/zinc/95/63/10/923956310.db2.gz RSRLLGNDIMMARV-VXGBXAGGSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392273188 923956321 /nfs/dbraw/zinc/95/63/21/923956321.db2.gz RSRLLGNDIMMARV-VXGBXAGGSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392273188 923956326 /nfs/dbraw/zinc/95/63/26/923956326.db2.gz RSRLLGNDIMMARV-VXGBXAGGSA-N 2 2 300.403 -1.029 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC001392362361 923975216 /nfs/dbraw/zinc/97/52/16/923975216.db2.gz FFCQRUWRAYDKTJ-CHWSQXEVSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC001392362361 923975223 /nfs/dbraw/zinc/97/52/23/923975223.db2.gz FFCQRUWRAYDKTJ-CHWSQXEVSA-N 2 2 312.370 -1.120 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392379191 923993405 /nfs/dbraw/zinc/99/34/05/923993405.db2.gz IOXKYOHVVKHFQH-RYUDHWBXSA-N 2 2 323.397 -1.352 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001392406931 924017580 /nfs/dbraw/zinc/01/75/80/924017580.db2.gz CTTJMVSRCYGYSF-KOLCDFICSA-N 2 2 309.370 -1.314 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001392418039 924022327 /nfs/dbraw/zinc/02/23/27/924022327.db2.gz GPDKWJANWIBBQP-NWDGAFQWSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001392418094 924023041 /nfs/dbraw/zinc/02/30/41/924023041.db2.gz GPDKWJANWIBBQP-VXGBXAGGSA-N 2 2 309.370 -1.692 20 0 DAADLP O=C(C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)Nc1ccon1 ZINC001392421349 924023966 /nfs/dbraw/zinc/02/39/66/924023966.db2.gz DAXPTIUEPMVYQR-SNVBAGLBSA-N 2 2 322.325 -1.424 20 0 DAADLP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001392423258 924028413 /nfs/dbraw/zinc/02/84/13/924028413.db2.gz MILIQUOKRXOKAR-CYBMUJFWSA-N 2 2 306.370 -1.037 20 0 DAADLP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001392463575 924034647 /nfs/dbraw/zinc/03/46/47/924034647.db2.gz UKVJLDJQVSBUEL-JTQLQIEISA-N 2 2 324.385 -1.016 20 0 DAADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001392507386 924040248 /nfs/dbraw/zinc/04/02/48/924040248.db2.gz ZFXDLQUWCKMDFS-ZJUUUORDSA-N 2 2 310.358 -1.049 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392802959 924081154 /nfs/dbraw/zinc/08/11/54/924081154.db2.gz SHWAXMYHEVJKOP-LLVKDONJSA-N 2 2 322.369 -1.358 20 0 DAADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001393249320 924134287 /nfs/dbraw/zinc/13/42/87/924134287.db2.gz QOAQPMNOKKJCGP-SWLSCSKDSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001393249320 924134291 /nfs/dbraw/zinc/13/42/91/924134291.db2.gz QOAQPMNOKKJCGP-SWLSCSKDSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001393271165 924143081 /nfs/dbraw/zinc/14/30/81/924143081.db2.gz AHTQZIWHLYLQEL-INIZCTEOSA-N 2 2 324.425 -1.086 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001393271165 924143095 /nfs/dbraw/zinc/14/30/95/924143095.db2.gz AHTQZIWHLYLQEL-INIZCTEOSA-N 2 2 324.425 -1.086 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001393271177 924145535 /nfs/dbraw/zinc/14/55/35/924145535.db2.gz AHTQZIWHLYLQEL-MRXNPFEDSA-N 2 2 324.425 -1.086 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001393271177 924145544 /nfs/dbraw/zinc/14/55/44/924145544.db2.gz AHTQZIWHLYLQEL-MRXNPFEDSA-N 2 2 324.425 -1.086 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001393288695 924157040 /nfs/dbraw/zinc/15/70/40/924157040.db2.gz DWENEJKLNASJQI-SWLSCSKDSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393288695 924157046 /nfs/dbraw/zinc/15/70/46/924157046.db2.gz DWENEJKLNASJQI-SWLSCSKDSA-N 2 2 321.381 -1.285 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001393293883 924157931 /nfs/dbraw/zinc/15/79/31/924157931.db2.gz NXFQMBQAGBVBSQ-OAHLLOKOSA-N 2 2 323.397 -1.086 20 0 DAADLP CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001393293883 924157949 /nfs/dbraw/zinc/15/79/49/924157949.db2.gz NXFQMBQAGBVBSQ-OAHLLOKOSA-N 2 2 323.397 -1.086 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289891 924158730 /nfs/dbraw/zinc/15/87/30/924158730.db2.gz KGTYQTBYTHITFT-NHYWBVRUSA-N 2 2 323.397 -1.221 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289891 924158739 /nfs/dbraw/zinc/15/87/39/924158739.db2.gz KGTYQTBYTHITFT-NHYWBVRUSA-N 2 2 323.397 -1.221 20 0 DAADLP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393400148 924195710 /nfs/dbraw/zinc/19/57/10/924195710.db2.gz VZKPFRWFPTXTFT-WDEREUQCSA-N 2 2 322.369 -1.095 20 0 DAADLP NC(=O)C[NH2+]C1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001393428536 924200911 /nfs/dbraw/zinc/20/09/11/924200911.db2.gz LSJQOVHIUYFCRM-UHFFFAOYSA-N 2 2 322.413 -1.071 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427024 924201005 /nfs/dbraw/zinc/20/10/05/924201005.db2.gz KGAYUIVBNLOVGW-OCCSQVGLSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427024 924201019 /nfs/dbraw/zinc/20/10/19/924201019.db2.gz KGAYUIVBNLOVGW-OCCSQVGLSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001393427024 924201035 /nfs/dbraw/zinc/20/10/35/924201035.db2.gz KGAYUIVBNLOVGW-OCCSQVGLSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427024 924201047 /nfs/dbraw/zinc/20/10/47/924201047.db2.gz KGAYUIVBNLOVGW-OCCSQVGLSA-N 2 2 301.387 -1.748 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001393587361 924235237 /nfs/dbraw/zinc/23/52/37/924235237.db2.gz KBXLOGVWUKCUSO-GFCCVEGCSA-N 2 2 309.370 -1.143 20 0 DAADLP C[C@@H]([NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(N)=O ZINC001393772045 924255468 /nfs/dbraw/zinc/25/54/68/924255468.db2.gz KPBJNAUNPUPIJM-SNVBAGLBSA-N 2 2 309.370 -1.231 20 0 DAADLP C[NH+]1CCC(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)CC1 ZINC001393844895 924261059 /nfs/dbraw/zinc/26/10/59/924261059.db2.gz HIAQIFMXSDKHKV-UHFFFAOYSA-N 2 2 312.414 -1.243 20 0 DAADLP CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001393849168 924264624 /nfs/dbraw/zinc/26/46/24/924264624.db2.gz GBDHSIABGOBBMQ-UHFFFAOYSA-N 2 2 323.397 -1.119 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001394313536 924297142 /nfs/dbraw/zinc/29/71/42/924297142.db2.gz HMBIBIXFGQUXFE-YIYPIFLZSA-N 2 2 324.425 -1.253 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001394313536 924297152 /nfs/dbraw/zinc/29/71/52/924297152.db2.gz HMBIBIXFGQUXFE-YIYPIFLZSA-N 2 2 324.425 -1.253 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001394313536 924297161 /nfs/dbraw/zinc/29/71/61/924297161.db2.gz HMBIBIXFGQUXFE-YIYPIFLZSA-N 2 2 324.425 -1.253 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001394313536 924297170 /nfs/dbraw/zinc/29/71/70/924297170.db2.gz HMBIBIXFGQUXFE-YIYPIFLZSA-N 2 2 324.425 -1.253 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575632 924313808 /nfs/dbraw/zinc/31/38/08/924313808.db2.gz YYTAWELYNWPCGF-NEPJUHHUSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575632 924313818 /nfs/dbraw/zinc/31/38/18/924313818.db2.gz YYTAWELYNWPCGF-NEPJUHHUSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394627577 924343597 /nfs/dbraw/zinc/34/35/97/924343597.db2.gz VPRZYKLJZFETHB-ZJUUUORDSA-N 2 2 315.374 -2.268 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394627577 924343606 /nfs/dbraw/zinc/34/36/06/924343606.db2.gz VPRZYKLJZFETHB-ZJUUUORDSA-N 2 2 315.374 -2.268 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394627568 924344732 /nfs/dbraw/zinc/34/47/32/924344732.db2.gz VPRZYKLJZFETHB-UWVGGRQHSA-N 2 2 315.374 -2.268 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394627568 924344738 /nfs/dbraw/zinc/34/47/38/924344738.db2.gz VPRZYKLJZFETHB-UWVGGRQHSA-N 2 2 315.374 -2.268 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001394624417 924344842 /nfs/dbraw/zinc/34/48/42/924344842.db2.gz NYWLIMLLGWXSMZ-OLZOCXBDSA-N 2 2 312.414 -1.184 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001394624417 924344847 /nfs/dbraw/zinc/34/48/47/924344847.db2.gz NYWLIMLLGWXSMZ-OLZOCXBDSA-N 2 2 312.414 -1.184 20 0 DAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001394639783 924348611 /nfs/dbraw/zinc/34/86/11/924348611.db2.gz ACKRXEJLSLSUSM-VXGBXAGGSA-N 2 2 300.403 -1.341 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394648340 924353002 /nfs/dbraw/zinc/35/30/02/924353002.db2.gz FVPZLXQQNKQDSB-LBPRGKRZSA-N 2 2 322.413 -1.040 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394647659 924353699 /nfs/dbraw/zinc/35/36/99/924353699.db2.gz QETQKXLOUGEZDL-JTQLQIEISA-N 2 2 314.390 -1.985 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001394647659 924353710 /nfs/dbraw/zinc/35/37/10/924353710.db2.gz QETQKXLOUGEZDL-JTQLQIEISA-N 2 2 314.390 -1.985 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001394649693 924354427 /nfs/dbraw/zinc/35/44/27/924354427.db2.gz SOMAWRNMXQMRDT-CMPLNLGQSA-N 2 2 323.397 -1.006 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394652274 924355294 /nfs/dbraw/zinc/35/52/94/924355294.db2.gz LWLHGYUONZCBIN-VXGBXAGGSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394652274 924355302 /nfs/dbraw/zinc/35/53/02/924355302.db2.gz LWLHGYUONZCBIN-VXGBXAGGSA-N 2 2 310.402 -1.276 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001394653668 924356266 /nfs/dbraw/zinc/35/62/66/924356266.db2.gz OKKNIHXDJDESAM-NSHDSACASA-N 2 2 323.401 -1.330 20 0 DAADLP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001394667647 924358701 /nfs/dbraw/zinc/35/87/01/924358701.db2.gz HOSNGKRDLSUXKY-SCZZXKLOSA-N 2 2 308.342 -1.274 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001394700415 924361770 /nfs/dbraw/zinc/36/17/70/924361770.db2.gz JNUIDSNSGNHSNV-WDEREUQCSA-N 2 2 322.369 -1.048 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001394739464 924372427 /nfs/dbraw/zinc/37/24/27/924372427.db2.gz BTRODHPHXSOSID-WDEREUQCSA-N 2 2 311.386 -1.365 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001395732460 924455188 /nfs/dbraw/zinc/45/51/88/924455188.db2.gz HFNACIJSCBRQQU-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395737418 924456681 /nfs/dbraw/zinc/45/66/81/924456681.db2.gz NJQSKXVSFZNPPR-PWSUYJOCSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395737418 924456689 /nfs/dbraw/zinc/45/66/89/924456689.db2.gz NJQSKXVSFZNPPR-PWSUYJOCSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001395748566 924462254 /nfs/dbraw/zinc/46/22/54/924462254.db2.gz PFFSIIZWMQLQSS-GFCCVEGCSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001395748566 924462258 /nfs/dbraw/zinc/46/22/58/924462258.db2.gz PFFSIIZWMQLQSS-GFCCVEGCSA-N 2 2 323.397 -1.039 20 0 DAADLP C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001395756765 924463622 /nfs/dbraw/zinc/46/36/22/924463622.db2.gz VNOZNSJCLCTFTN-GFCCVEGCSA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001395826459 924485986 /nfs/dbraw/zinc/48/59/86/924485986.db2.gz NNACJFSAGBVYPX-RAIGVLPGSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001395826459 924485992 /nfs/dbraw/zinc/48/59/92/924485992.db2.gz NNACJFSAGBVYPX-RAIGVLPGSA-N 2 2 323.397 -1.114 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001398248376 924629472 /nfs/dbraw/zinc/62/94/72/924629472.db2.gz JDPRCOYBRXAKOG-LLVKDONJSA-N 2 2 323.397 -1.142 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001398248376 924629478 /nfs/dbraw/zinc/62/94/78/924629478.db2.gz JDPRCOYBRXAKOG-LLVKDONJSA-N 2 2 323.397 -1.142 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001398442057 924642515 /nfs/dbraw/zinc/64/25/15/924642515.db2.gz AEDNLNMMCUUDEG-NSHDSACASA-N 2 2 322.369 -1.358 20 0 DAADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)NC(N)=O ZINC001399010425 924684017 /nfs/dbraw/zinc/68/40/17/924684017.db2.gz BOUMAAMGDNFKDQ-SECBINFHSA-N 2 2 310.358 -1.358 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001399173047 924691529 /nfs/dbraw/zinc/69/15/29/924691529.db2.gz WZZTUESUFZMWOZ-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001399641397 924714010 /nfs/dbraw/zinc/71/40/10/924714010.db2.gz BXYUVZGWRJUTIZ-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001399641397 924714016 /nfs/dbraw/zinc/71/40/16/924714016.db2.gz BXYUVZGWRJUTIZ-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001399641401 924714220 /nfs/dbraw/zinc/71/42/20/924714220.db2.gz BXYUVZGWRJUTIZ-VXGBXAGGSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001399641401 924714228 /nfs/dbraw/zinc/71/42/28/924714228.db2.gz BXYUVZGWRJUTIZ-VXGBXAGGSA-N 2 2 300.403 -1.124 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849188 924744830 /nfs/dbraw/zinc/74/48/30/924744830.db2.gz KEMWWHQHSDNJHV-GHMZBOCLSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849188 924744839 /nfs/dbraw/zinc/74/48/39/924744839.db2.gz KEMWWHQHSDNJHV-GHMZBOCLSA-N 2 2 309.370 -1.503 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400630281 924818019 /nfs/dbraw/zinc/81/80/19/924818019.db2.gz MLLMALASMRBMQG-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400630281 924818025 /nfs/dbraw/zinc/81/80/25/924818025.db2.gz MLLMALASMRBMQG-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001400689864 924823653 /nfs/dbraw/zinc/82/36/53/924823653.db2.gz PFMQXESEUQVXLV-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001400689864 924823662 /nfs/dbraw/zinc/82/36/62/924823662.db2.gz PFMQXESEUQVXLV-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001400733699 924829381 /nfs/dbraw/zinc/82/93/81/924829381.db2.gz XAXUIVUMMGCWKH-NSHDSACASA-N 2 2 323.397 -1.190 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001400733699 924829388 /nfs/dbraw/zinc/82/93/88/924829388.db2.gz XAXUIVUMMGCWKH-NSHDSACASA-N 2 2 323.397 -1.190 20 0 DAADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001400896110 924835569 /nfs/dbraw/zinc/83/55/69/924835569.db2.gz BNKDDCICEFAWML-SECBINFHSA-N 2 2 310.358 -1.358 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001401094107 924842429 /nfs/dbraw/zinc/84/24/29/924842429.db2.gz QUEONNJTUZOCSE-SECBINFHSA-N 2 2 308.342 -1.272 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001401165738 924847013 /nfs/dbraw/zinc/84/70/13/924847013.db2.gz POMSNACSRAJPKV-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001401165738 924847024 /nfs/dbraw/zinc/84/70/24/924847024.db2.gz POMSNACSRAJPKV-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001401165738 924847036 /nfs/dbraw/zinc/84/70/36/924847036.db2.gz POMSNACSRAJPKV-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001401165738 924847046 /nfs/dbraw/zinc/84/70/46/924847046.db2.gz POMSNACSRAJPKV-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401265348 924854543 /nfs/dbraw/zinc/85/45/43/924854543.db2.gz DKHISXPIMBVHDA-NXEZZACHSA-N 2 2 310.358 -1.097 20 0 DAADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001401379642 924858056 /nfs/dbraw/zinc/85/80/56/924858056.db2.gz IVAPFQZFAAXXAL-LLVKDONJSA-N 2 2 324.385 -1.112 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)c[nH+]1 ZINC001401548623 924884600 /nfs/dbraw/zinc/88/46/00/924884600.db2.gz YLMMSINDYGSVIP-VXGBXAGGSA-N 2 2 323.397 -1.118 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401561016 924890431 /nfs/dbraw/zinc/89/04/31/924890431.db2.gz SZKQLZCCGKWDHH-GFCCVEGCSA-N 2 2 309.370 -1.428 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401591041 924903783 /nfs/dbraw/zinc/90/37/83/924903783.db2.gz YHFLIBBJYRMLLX-GFCCVEGCSA-N 2 2 309.370 -1.738 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402234915 924954592 /nfs/dbraw/zinc/95/45/92/924954592.db2.gz VYYSTRBSHSHDSZ-QWRGUYRKSA-N 2 2 323.397 -1.144 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402234915 924954599 /nfs/dbraw/zinc/95/45/99/924954599.db2.gz VYYSTRBSHSHDSZ-QWRGUYRKSA-N 2 2 323.397 -1.144 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402283714 924963086 /nfs/dbraw/zinc/96/30/86/924963086.db2.gz BTLDMQMYLAJDNQ-SMDDNHRTSA-N 2 2 309.370 -1.300 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402283714 924963091 /nfs/dbraw/zinc/96/30/91/924963091.db2.gz BTLDMQMYLAJDNQ-SMDDNHRTSA-N 2 2 309.370 -1.300 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001402354622 924987045 /nfs/dbraw/zinc/98/70/45/924987045.db2.gz OHLGSFGQOGVSSU-OLZOCXBDSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402354622 924987048 /nfs/dbraw/zinc/98/70/48/924987048.db2.gz OHLGSFGQOGVSSU-OLZOCXBDSA-N 2 2 315.414 -1.502 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001402457291 925000200 /nfs/dbraw/zinc/00/02/00/925000200.db2.gz YBMXNUNXGAETKO-JMSVASOKSA-N 2 2 312.414 -1.245 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001402457291 925000211 /nfs/dbraw/zinc/00/02/11/925000211.db2.gz YBMXNUNXGAETKO-JMSVASOKSA-N 2 2 312.414 -1.245 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001402457291 925000219 /nfs/dbraw/zinc/00/02/19/925000219.db2.gz YBMXNUNXGAETKO-JMSVASOKSA-N 2 2 312.414 -1.245 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001402457291 925000230 /nfs/dbraw/zinc/00/02/30/925000230.db2.gz YBMXNUNXGAETKO-JMSVASOKSA-N 2 2 312.414 -1.245 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402469040 925000587 /nfs/dbraw/zinc/00/05/87/925000587.db2.gz UTZCRKDTUJPJOK-QWRGUYRKSA-N 2 2 322.369 -1.082 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001402546223 925011376 /nfs/dbraw/zinc/01/13/76/925011376.db2.gz JFYGPHXTIVEEMW-GUBZILKMSA-N 2 2 308.342 -1.297 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001403064155 925050607 /nfs/dbraw/zinc/05/06/07/925050607.db2.gz YGFGWIXQFWDEHX-RKDXNWHRSA-N 2 2 310.358 -1.109 20 0 DAADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403179734 925059206 /nfs/dbraw/zinc/05/92/06/925059206.db2.gz WDPQVYBMLXVRRV-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403179734 925059215 /nfs/dbraw/zinc/05/92/15/925059215.db2.gz WDPQVYBMLXVRRV-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)NC(N)=O ZINC001403261641 925068891 /nfs/dbraw/zinc/06/88/91/925068891.db2.gz ZFKLBPFPNCQBCJ-ZJUUUORDSA-N 2 2 322.369 -1.026 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403359543 925071922 /nfs/dbraw/zinc/07/19/22/925071922.db2.gz VZZPCAFZEAUZHD-JTQLQIEISA-N 2 2 313.402 -1.042 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403359543 925071929 /nfs/dbraw/zinc/07/19/29/925071929.db2.gz VZZPCAFZEAUZHD-JTQLQIEISA-N 2 2 313.402 -1.042 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403529748 925082293 /nfs/dbraw/zinc/08/22/93/925082293.db2.gz HTLKSSYGARWFIC-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403529748 925082300 /nfs/dbraw/zinc/08/23/00/925082300.db2.gz HTLKSSYGARWFIC-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403529748 925082310 /nfs/dbraw/zinc/08/23/10/925082310.db2.gz HTLKSSYGARWFIC-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403529748 925082317 /nfs/dbraw/zinc/08/23/17/925082317.db2.gz HTLKSSYGARWFIC-RYUDHWBXSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001403590200 925089066 /nfs/dbraw/zinc/08/90/66/925089066.db2.gz YNAWDNGYNXKBNQ-JTQLQIEISA-N 2 2 310.358 -1.095 20 0 DAADLP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403627271 925091019 /nfs/dbraw/zinc/09/10/19/925091019.db2.gz JBJDJTWOHYVIIW-MNOVXSKESA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403627271 925091029 /nfs/dbraw/zinc/09/10/29/925091029.db2.gz JBJDJTWOHYVIIW-MNOVXSKESA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403627267 925091856 /nfs/dbraw/zinc/09/18/56/925091856.db2.gz JBJDJTWOHYVIIW-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403627267 925091867 /nfs/dbraw/zinc/09/18/67/925091867.db2.gz JBJDJTWOHYVIIW-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403649428 925095443 /nfs/dbraw/zinc/09/54/43/925095443.db2.gz KIVRTEXUZZAXRW-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403649428 925095452 /nfs/dbraw/zinc/09/54/52/925095452.db2.gz KIVRTEXUZZAXRW-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001403651092 925099288 /nfs/dbraw/zinc/09/92/88/925099288.db2.gz NAVLHIIJKPVXHB-OLZOCXBDSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001403651092 925099298 /nfs/dbraw/zinc/09/92/98/925099298.db2.gz NAVLHIIJKPVXHB-OLZOCXBDSA-N 2 2 310.402 -1.041 20 0 DAADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC)[NH+](C)C ZINC001403685406 925115641 /nfs/dbraw/zinc/11/56/41/925115641.db2.gz LIMDQYZXIZXFLP-JTQLQIEISA-N 2 2 301.391 -1.170 20 0 DAADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC)[NH+](C)C ZINC001403685406 925115644 /nfs/dbraw/zinc/11/56/44/925115644.db2.gz LIMDQYZXIZXFLP-JTQLQIEISA-N 2 2 301.391 -1.170 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001403684707 925115938 /nfs/dbraw/zinc/11/59/38/925115938.db2.gz QREWDQKSRFDQPB-LLVKDONJSA-N 2 2 313.402 -1.168 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001403684707 925115946 /nfs/dbraw/zinc/11/59/46/925115946.db2.gz QREWDQKSRFDQPB-LLVKDONJSA-N 2 2 313.402 -1.168 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001403684707 925115950 /nfs/dbraw/zinc/11/59/50/925115950.db2.gz QREWDQKSRFDQPB-LLVKDONJSA-N 2 2 313.402 -1.168 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001403684707 925115956 /nfs/dbraw/zinc/11/59/56/925115956.db2.gz QREWDQKSRFDQPB-LLVKDONJSA-N 2 2 313.402 -1.168 20 0 DAADLP CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001403740648 925134597 /nfs/dbraw/zinc/13/45/97/925134597.db2.gz HXVFYPAAVHJFFG-LLVKDONJSA-N 2 2 307.358 -1.239 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001403758499 925138959 /nfs/dbraw/zinc/13/89/59/925138959.db2.gz XBIFUFBNXANFIO-NEPJUHHUSA-N 2 2 319.369 -1.271 20 0 DAADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001403766313 925140951 /nfs/dbraw/zinc/14/09/51/925140951.db2.gz MUGQGBYWXKLHQL-LBPRGKRZSA-N 2 2 300.403 -1.251 20 0 DAADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001403766313 925140957 /nfs/dbraw/zinc/14/09/57/925140957.db2.gz MUGQGBYWXKLHQL-LBPRGKRZSA-N 2 2 300.403 -1.251 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001403856959 925156006 /nfs/dbraw/zinc/15/60/06/925156006.db2.gz SOSSAUKCOINDMR-JQWIXIFHSA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001403858486 925156155 /nfs/dbraw/zinc/15/61/55/925156155.db2.gz WMGVGVYZYDWQEG-QWRGUYRKSA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403864044 925157680 /nfs/dbraw/zinc/15/76/80/925157680.db2.gz AVCGGIXCTABLKB-VXGBXAGGSA-N 2 2 309.370 -1.408 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403896539 925167664 /nfs/dbraw/zinc/16/76/64/925167664.db2.gz KUDPGFKYAJZPRX-NEPJUHHUSA-N 2 2 311.386 -1.184 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403896539 925167669 /nfs/dbraw/zinc/16/76/69/925167669.db2.gz KUDPGFKYAJZPRX-NEPJUHHUSA-N 2 2 311.386 -1.184 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001403906345 925170937 /nfs/dbraw/zinc/17/09/37/925170937.db2.gz MOEFOBJAJJUGOU-QWRGUYRKSA-N 2 2 311.386 -1.114 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001403906345 925170941 /nfs/dbraw/zinc/17/09/41/925170941.db2.gz MOEFOBJAJJUGOU-QWRGUYRKSA-N 2 2 311.386 -1.114 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403906336 925171450 /nfs/dbraw/zinc/17/14/50/925171450.db2.gz MOEFOBJAJJUGOU-GHMZBOCLSA-N 2 2 311.386 -1.114 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403906336 925171452 /nfs/dbraw/zinc/17/14/52/925171452.db2.gz MOEFOBJAJJUGOU-GHMZBOCLSA-N 2 2 311.386 -1.114 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403915522 925173547 /nfs/dbraw/zinc/17/35/47/925173547.db2.gz HSHRTNWLGRTTSV-ZYHUDNBSSA-N 2 2 311.386 -1.162 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403915522 925173540 /nfs/dbraw/zinc/17/35/40/925173540.db2.gz HSHRTNWLGRTTSV-ZYHUDNBSSA-N 2 2 311.386 -1.162 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404105309 925181734 /nfs/dbraw/zinc/18/17/34/925181734.db2.gz RBMJHLJZAKQYTG-NSHDSACASA-N 2 2 322.369 -1.223 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404105309 925181740 /nfs/dbraw/zinc/18/17/40/925181740.db2.gz RBMJHLJZAKQYTG-NSHDSACASA-N 2 2 322.369 -1.223 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001404338389 925192009 /nfs/dbraw/zinc/19/20/09/925192009.db2.gz ZEFKDJRKFCMIOR-JTQLQIEISA-N 2 2 310.358 -1.225 20 0 DAADLP NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001404887444 925222491 /nfs/dbraw/zinc/22/24/91/925222491.db2.gz MWJSNVJLUIECFS-UHFFFAOYSA-N 2 2 323.397 -1.142 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405282828 925277380 /nfs/dbraw/zinc/27/73/80/925277380.db2.gz KYFUKPRLVOMDFL-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001405292663 925279087 /nfs/dbraw/zinc/27/90/87/925279087.db2.gz QRRGHUCVNSUKEY-IJLUTSLNSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001405292663 925279096 /nfs/dbraw/zinc/27/90/96/925279096.db2.gz QRRGHUCVNSUKEY-IJLUTSLNSA-N 2 2 323.397 -1.114 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405333985 925289869 /nfs/dbraw/zinc/28/98/69/925289869.db2.gz KGNJSZZUYLBOPM-LLVKDONJSA-N 2 2 321.381 -1.359 20 0 DAADLP CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001405339814 925291796 /nfs/dbraw/zinc/29/17/96/925291796.db2.gz OGYXGBPMBWJXHG-NWDGAFQWSA-N 2 2 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C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001405399740 925306947 /nfs/dbraw/zinc/30/69/47/925306947.db2.gz POTPHSRPBBOYGP-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001406243706 925371626 /nfs/dbraw/zinc/37/16/26/925371626.db2.gz KKBMDYAGEMDSJX-LLVKDONJSA-N 2 2 307.358 -1.413 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001406272003 925387910 /nfs/dbraw/zinc/38/79/10/925387910.db2.gz CPDABAOJRVNSAT-NEPJUHHUSA-N 2 2 323.397 -1.052 20 0 DAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2c[nH+]cn2C)nn1 ZINC001406287871 925393546 /nfs/dbraw/zinc/39/35/46/925393546.db2.gz TYCQCFHPIYUMKP-ZDUSSCGKSA-N 2 2 321.385 -1.252 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001406288514 925394882 /nfs/dbraw/zinc/39/48/82/925394882.db2.gz UEMTVAFHOVLXRN-CYBMUJFWSA-N 2 2 323.397 -1.348 20 0 DAADLP CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001406294202 925398672 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CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CC(=O)NC ZINC001418580624 926405092 /nfs/dbraw/zinc/40/50/92/926405092.db2.gz JFYFSCBMVZMNTD-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CC(=O)NC ZINC001418580624 926405107 /nfs/dbraw/zinc/40/51/07/926405107.db2.gz JFYFSCBMVZMNTD-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)CC(=O)NC ZINC001418580624 926405117 /nfs/dbraw/zinc/40/51/17/926405117.db2.gz JFYFSCBMVZMNTD-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)CC(=O)NC ZINC001418580624 926405125 /nfs/dbraw/zinc/40/51/25/926405125.db2.gz JFYFSCBMVZMNTD-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001418653641 926413292 /nfs/dbraw/zinc/41/32/92/926413292.db2.gz HGSUQILFLGIKHA-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001418653641 926413297 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COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419075651 926453153 /nfs/dbraw/zinc/45/31/53/926453153.db2.gz QCNISRDODZCKOS-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419075651 926453161 /nfs/dbraw/zinc/45/31/61/926453161.db2.gz QCNISRDODZCKOS-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001419171258 926465205 /nfs/dbraw/zinc/46/52/05/926465205.db2.gz FVKCMANMTUDBTE-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001419171258 926465213 /nfs/dbraw/zinc/46/52/13/926465213.db2.gz FVKCMANMTUDBTE-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001419797292 926502527 /nfs/dbraw/zinc/50/25/27/926502527.db2.gz YTTOGRUWUZNUTQ-SECBINFHSA-N 2 2 307.358 -1.092 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001419988740 926515250 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DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420108981 926524403 /nfs/dbraw/zinc/52/44/03/926524403.db2.gz KPKKAOFXCGMEHK-QWRGUYRKSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420108981 926524411 /nfs/dbraw/zinc/52/44/11/926524411.db2.gz KPKKAOFXCGMEHK-QWRGUYRKSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001420108110 926525505 /nfs/dbraw/zinc/52/55/05/926525505.db2.gz KEIMUPTXQBGWJF-OLZOCXBDSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001420108110 926525509 /nfs/dbraw/zinc/52/55/09/926525509.db2.gz KEIMUPTXQBGWJF-OLZOCXBDSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420142580 926539388 /nfs/dbraw/zinc/53/93/88/926539388.db2.gz FHYRTXHFGBQJDO-NEPJUHHUSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420142580 926539395 /nfs/dbraw/zinc/53/93/95/926539395.db2.gz FHYRTXHFGBQJDO-NEPJUHHUSA-N 2 2 310.402 -1.134 20 0 DAADLP CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194751 926560756 /nfs/dbraw/zinc/56/07/56/926560756.db2.gz WMVSKSKTNVFZHF-GFCCVEGCSA-N 2 2 310.402 -1.040 20 0 DAADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001420504540 926596853 /nfs/dbraw/zinc/59/68/53/926596853.db2.gz HSUFSJFYBAFPDS-DTWKUNHWSA-N 2 2 310.358 -1.360 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001420750186 926614996 /nfs/dbraw/zinc/61/49/96/926614996.db2.gz VGSSXKAIAFYKMF-QWHCGFSZSA-N 2 2 312.414 -1.063 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001420750186 926615006 /nfs/dbraw/zinc/61/50/06/926615006.db2.gz VGSSXKAIAFYKMF-QWHCGFSZSA-N 2 2 312.414 -1.063 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001420750189 926615070 /nfs/dbraw/zinc/61/50/70/926615070.db2.gz VGSSXKAIAFYKMF-STQMWFEESA-N 2 2 312.414 -1.063 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001420750189 926615080 /nfs/dbraw/zinc/61/50/80/926615080.db2.gz VGSSXKAIAFYKMF-STQMWFEESA-N 2 2 312.414 -1.063 20 0 DAADLP CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001420908143 926628270 /nfs/dbraw/zinc/62/82/70/926628270.db2.gz QWCMUMJVWCEQFZ-UHFFFAOYSA-N 2 2 323.441 -1.357 20 0 DAADLP C[NH+](C)C1(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CCC1 ZINC001421145409 926649683 /nfs/dbraw/zinc/64/96/83/926649683.db2.gz HPIVCXRLUDFHBM-UHFFFAOYSA-N 2 2 311.386 -1.286 20 0 DAADLP O=C(C[NH+]1CCCC1)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001421187283 926653223 /nfs/dbraw/zinc/65/32/23/926653223.db2.gz OZDAPCBETRWDPV-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421287974 926660107 /nfs/dbraw/zinc/66/01/07/926660107.db2.gz MLLMALASMRBMQG-CHWSQXEVSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421287974 926660114 /nfs/dbraw/zinc/66/01/14/926660114.db2.gz MLLMALASMRBMQG-CHWSQXEVSA-N 2 2 310.398 -1.212 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001421341089 926668874 /nfs/dbraw/zinc/66/88/74/926668874.db2.gz PFGYTSMJULPUJZ-SWLSCSKDSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001421341089 926668880 /nfs/dbraw/zinc/66/88/80/926668880.db2.gz PFGYTSMJULPUJZ-SWLSCSKDSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421341089 926668889 /nfs/dbraw/zinc/66/88/89/926668889.db2.gz PFGYTSMJULPUJZ-SWLSCSKDSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421341089 926668896 /nfs/dbraw/zinc/66/88/96/926668896.db2.gz PFGYTSMJULPUJZ-SWLSCSKDSA-N 2 2 312.414 -1.278 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421388486 926685064 /nfs/dbraw/zinc/68/50/64/926685064.db2.gz IDBGSVRWNBHITI-RISCZKNCSA-N 2 2 307.354 -1.675 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421388486 926685076 /nfs/dbraw/zinc/68/50/76/926685076.db2.gz IDBGSVRWNBHITI-RISCZKNCSA-N 2 2 307.354 -1.675 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001421824009 926763490 /nfs/dbraw/zinc/76/34/90/926763490.db2.gz OMTXWLCWNDSCBO-GFCCVEGCSA-N 2 2 309.370 -1.095 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001421813282 926765067 /nfs/dbraw/zinc/76/50/67/926765067.db2.gz CJUMVXKIJKFEMU-ZYHUDNBSSA-N 2 2 309.370 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001422060278 926783260 /nfs/dbraw/zinc/78/32/60/926783260.db2.gz JZRJDRHCLAYWLH-VHSXEESVSA-N 2 2 322.369 -1.156 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001422168899 926792963 /nfs/dbraw/zinc/79/29/63/926792963.db2.gz ROPFJZWQRHUECY-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP O=C(C[NH+]1CCCC1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001422194181 926800096 /nfs/dbraw/zinc/80/00/96/926800096.db2.gz MQQWYJIIXAEEKS-ZDUSSCGKSA-N 2 2 324.425 -1.086 20 0 DAADLP O=C(C[NH+]1CCCC1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001422194173 926800571 /nfs/dbraw/zinc/80/05/71/926800571.db2.gz MQQWYJIIXAEEKS-CYBMUJFWSA-N 2 2 324.425 -1.086 20 0 DAADLP C[C@H]([NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001422288042 926816275 /nfs/dbraw/zinc/81/62/75/926816275.db2.gz JFOCSEWQCGOQDU-WHXUTIOJSA-N 2 2 322.369 -1.049 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373393 926856701 /nfs/dbraw/zinc/85/67/01/926856701.db2.gz BXSKDZMPQZKKDC-CMPLNLGQSA-N 2 2 311.386 -1.257 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373393 926856711 /nfs/dbraw/zinc/85/67/11/926856711.db2.gz BXSKDZMPQZKKDC-CMPLNLGQSA-N 2 2 311.386 -1.257 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001422384641 926858899 /nfs/dbraw/zinc/85/88/99/926858899.db2.gz BTGJRRMTAHOOMI-GHMZBOCLSA-N 2 2 319.369 -1.202 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001422384642 926860385 /nfs/dbraw/zinc/86/03/85/926860385.db2.gz BTGJRRMTAHOOMI-MNOVXSKESA-N 2 2 319.369 -1.202 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)c1nncn1C ZINC001422397073 926861767 /nfs/dbraw/zinc/86/17/67/926861767.db2.gz KCBCXWYTKDDQQT-CMPLNLGQSA-N 2 2 321.385 -1.081 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001422409722 926867492 /nfs/dbraw/zinc/86/74/92/926867492.db2.gz XEVNTUOOKKQKSN-VXGBXAGGSA-N 2 2 309.370 -1.382 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422474688 926875565 /nfs/dbraw/zinc/87/55/65/926875565.db2.gz HQXQSQCNVOLNIB-DGCLKSJQSA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422474688 926875580 /nfs/dbraw/zinc/87/55/80/926875580.db2.gz HQXQSQCNVOLNIB-DGCLKSJQSA-N 2 2 312.414 -1.063 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422478957 926877278 /nfs/dbraw/zinc/87/72/78/926877278.db2.gz XXEVSAVHIQCJQC-NEPJUHHUSA-N 2 2 300.403 -1.063 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422478957 926877293 /nfs/dbraw/zinc/87/72/93/926877293.db2.gz XXEVSAVHIQCJQC-NEPJUHHUSA-N 2 2 300.403 -1.063 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600920 926891169 /nfs/dbraw/zinc/89/11/69/926891169.db2.gz NMPSJLZBEWHWNH-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600920 926891175 /nfs/dbraw/zinc/89/11/75/926891175.db2.gz NMPSJLZBEWHWNH-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600920 926891185 /nfs/dbraw/zinc/89/11/85/926891185.db2.gz NMPSJLZBEWHWNH-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600920 926891197 /nfs/dbraw/zinc/89/11/97/926891197.db2.gz NMPSJLZBEWHWNH-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001422605250 926891444 /nfs/dbraw/zinc/89/14/44/926891444.db2.gz RXZQOCSQHMUHGS-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001422605250 926891457 /nfs/dbraw/zinc/89/14/57/926891457.db2.gz RXZQOCSQHMUHGS-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001422605266 926892325 /nfs/dbraw/zinc/89/23/25/926892325.db2.gz RXZQOCSQHMUHGS-RYUDHWBXSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001422605266 926892341 /nfs/dbraw/zinc/89/23/41/926892341.db2.gz RXZQOCSQHMUHGS-RYUDHWBXSA-N 2 2 300.403 -1.124 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001422660218 926905674 /nfs/dbraw/zinc/90/56/74/926905674.db2.gz WOVRVJIARDACJO-OLZOCXBDSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422660218 926905688 /nfs/dbraw/zinc/90/56/88/926905688.db2.gz WOVRVJIARDACJO-OLZOCXBDSA-N 2 2 315.414 -1.502 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001422680170 926906464 /nfs/dbraw/zinc/90/64/64/926906464.db2.gz HFNUPCAHPBSLOS-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751349 926914710 /nfs/dbraw/zinc/91/47/10/926914710.db2.gz IMBHPSOZSACEGD-NXEZZACHSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751349 926914721 /nfs/dbraw/zinc/91/47/21/926914721.db2.gz IMBHPSOZSACEGD-NXEZZACHSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001422936041 926930491 /nfs/dbraw/zinc/93/04/91/926930491.db2.gz NSFREQDDMIAHCR-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001422936041 926930504 /nfs/dbraw/zinc/93/05/04/926930504.db2.gz NSFREQDDMIAHCR-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](C[NH+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422936041 926930512 /nfs/dbraw/zinc/93/05/12/926930512.db2.gz NSFREQDDMIAHCR-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](C[NH+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422936041 926930524 /nfs/dbraw/zinc/93/05/24/926930524.db2.gz NSFREQDDMIAHCR-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190996 926961627 /nfs/dbraw/zinc/96/16/27/926961627.db2.gz CPHGDDUWSPGQRX-WDEREUQCSA-N 2 2 323.415 -2.572 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190996 926961637 /nfs/dbraw/zinc/96/16/37/926961637.db2.gz CPHGDDUWSPGQRX-WDEREUQCSA-N 2 2 323.415 -2.572 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001423230107 926985478 /nfs/dbraw/zinc/98/54/78/926985478.db2.gz MQHPPZNNHWLSSY-VXGBXAGGSA-N 2 2 323.397 -1.400 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001423259859 927001704 /nfs/dbraw/zinc/00/17/04/927001704.db2.gz OIBYYVLTLBUJGQ-LBPRGKRZSA-N 2 2 309.370 -1.463 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001423292113 927018502 /nfs/dbraw/zinc/01/85/02/927018502.db2.gz GZYNQMCDIYUBNF-PWSUYJOCSA-N 2 2 309.370 -1.740 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001423305983 927026107 /nfs/dbraw/zinc/02/61/07/927026107.db2.gz ZEPRJGHMBHJJAI-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001423305983 927026120 /nfs/dbraw/zinc/02/61/20/927026120.db2.gz ZEPRJGHMBHJJAI-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423311379 927026880 /nfs/dbraw/zinc/02/68/80/927026880.db2.gz RKLDBJYYUWLQRH-LBPRGKRZSA-N 2 2 306.370 -1.074 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001423455301 927058651 /nfs/dbraw/zinc/05/86/51/927058651.db2.gz BGYINTGQCQRXNZ-GFCCVEGCSA-N 2 2 311.386 -1.230 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001423473140 927065554 /nfs/dbraw/zinc/06/55/54/927065554.db2.gz WQPQPYZQNHPFBS-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001423473140 927065572 /nfs/dbraw/zinc/06/55/72/927065572.db2.gz WQPQPYZQNHPFBS-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423480396 927071429 /nfs/dbraw/zinc/07/14/29/927071429.db2.gz DQEODYFNHNFTRC-GHMZBOCLSA-N 2 2 311.386 -1.196 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001423547712 927093412 /nfs/dbraw/zinc/09/34/12/927093412.db2.gz VKUUTAGTDDONJA-QWHCGFSZSA-N 2 2 323.397 -1.135 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001423547712 927093425 /nfs/dbraw/zinc/09/34/25/927093425.db2.gz VKUUTAGTDDONJA-QWHCGFSZSA-N 2 2 323.397 -1.135 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001423547710 927094086 /nfs/dbraw/zinc/09/40/86/927094086.db2.gz VKUUTAGTDDONJA-OLZOCXBDSA-N 2 2 323.397 -1.135 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001423547710 927094108 /nfs/dbraw/zinc/09/41/08/927094108.db2.gz VKUUTAGTDDONJA-OLZOCXBDSA-N 2 2 323.397 -1.135 20 0 DAADLP COCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001423639426 927101364 /nfs/dbraw/zinc/10/13/64/927101364.db2.gz DEBQEDPTAZKNAU-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(N)=O ZINC001423639426 927101373 /nfs/dbraw/zinc/10/13/73/927101373.db2.gz DEBQEDPTAZKNAU-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(N)=O ZINC001423639426 927101381 /nfs/dbraw/zinc/10/13/81/927101381.db2.gz DEBQEDPTAZKNAU-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001423639426 927101390 /nfs/dbraw/zinc/10/13/90/927101390.db2.gz DEBQEDPTAZKNAU-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001423757575 927114470 /nfs/dbraw/zinc/11/44/70/927114470.db2.gz HNUSWZSJGSXBSH-IUODEOHRSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001423757575 927114476 /nfs/dbraw/zinc/11/44/76/927114476.db2.gz HNUSWZSJGSXBSH-IUODEOHRSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001423757575 927114485 /nfs/dbraw/zinc/11/44/85/927114485.db2.gz HNUSWZSJGSXBSH-IUODEOHRSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423757575 927114500 /nfs/dbraw/zinc/11/45/00/927114500.db2.gz HNUSWZSJGSXBSH-IUODEOHRSA-N 2 2 312.414 -1.230 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001423773816 927123278 /nfs/dbraw/zinc/12/32/78/927123278.db2.gz IPYSDAAHOOLREX-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001423773816 927123280 /nfs/dbraw/zinc/12/32/80/927123280.db2.gz IPYSDAAHOOLREX-HNNXBMFYSA-N 2 2 323.397 -1.119 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001423865274 927159647 /nfs/dbraw/zinc/15/96/47/927159647.db2.gz AVNCACYIOLHPBM-OLZOCXBDSA-N 2 2 315.414 -1.359 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423865274 927159653 /nfs/dbraw/zinc/15/96/53/927159653.db2.gz AVNCACYIOLHPBM-OLZOCXBDSA-N 2 2 315.414 -1.359 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001423871174 927160827 /nfs/dbraw/zinc/16/08/27/927160827.db2.gz OHLGSFGQOGVSSU-QWHCGFSZSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001423871174 927160832 /nfs/dbraw/zinc/16/08/32/927160832.db2.gz OHLGSFGQOGVSSU-QWHCGFSZSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423906068 927168079 /nfs/dbraw/zinc/16/80/79/927168079.db2.gz LBTQQNLTUTYENK-GFCCVEGCSA-N 2 2 301.387 -1.748 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001424008927 927182438 /nfs/dbraw/zinc/18/24/38/927182438.db2.gz MHOIENNUGQVSDJ-SMDDNHRTSA-N 2 2 300.403 -1.245 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001424008927 927182449 /nfs/dbraw/zinc/18/24/49/927182449.db2.gz MHOIENNUGQVSDJ-SMDDNHRTSA-N 2 2 300.403 -1.245 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001424008920 927182501 /nfs/dbraw/zinc/18/25/01/927182501.db2.gz MHOIENNUGQVSDJ-FZMZJTMJSA-N 2 2 300.403 -1.245 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001424008920 927182512 /nfs/dbraw/zinc/18/25/12/927182512.db2.gz MHOIENNUGQVSDJ-FZMZJTMJSA-N 2 2 300.403 -1.245 20 0 DAADLP CC(C)(C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)c1c[nH+]c[nH]1 ZINC001424053886 927192188 /nfs/dbraw/zinc/19/21/88/927192188.db2.gz QYAJKAJAWAFUAT-LLVKDONJSA-N 2 2 323.397 -1.014 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001424238951 927211964 /nfs/dbraw/zinc/21/19/64/927211964.db2.gz LVMKKXQHBWSLAI-GFCCVEGCSA-N 2 2 309.370 -1.345 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001424863831 927262061 /nfs/dbraw/zinc/26/20/61/927262061.db2.gz QMQUDQPVICRKOI-ZJUUUORDSA-N 2 2 310.358 -1.179 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001424863830 927262260 /nfs/dbraw/zinc/26/22/60/927262260.db2.gz QMQUDQPVICRKOI-VHSXEESVSA-N 2 2 310.358 -1.179 20 0 DAADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001425274253 927298896 /nfs/dbraw/zinc/29/88/96/927298896.db2.gz VQPBINGCWJGFCL-SNVBAGLBSA-N 2 2 323.397 -1.286 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001425387939 927341448 /nfs/dbraw/zinc/34/14/48/927341448.db2.gz COPLDVWNGPVLNM-NEPJUHHUSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001425387939 927341473 /nfs/dbraw/zinc/34/14/73/927341473.db2.gz COPLDVWNGPVLNM-NEPJUHHUSA-N 2 2 323.397 -1.113 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001425391655 927347051 /nfs/dbraw/zinc/34/70/51/927347051.db2.gz MLYQHBKMAPAXTR-LBPRGKRZSA-N 2 2 323.397 -1.348 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425517980 927385888 /nfs/dbraw/zinc/38/58/88/927385888.db2.gz GSDFMMMCVYZMNQ-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425517980 927385902 /nfs/dbraw/zinc/38/59/02/927385902.db2.gz GSDFMMMCVYZMNQ-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425517983 927386529 /nfs/dbraw/zinc/38/65/29/927386529.db2.gz GSDFMMMCVYZMNQ-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425517983 927386543 /nfs/dbraw/zinc/38/65/43/927386543.db2.gz GSDFMMMCVYZMNQ-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001425541710 927391751 /nfs/dbraw/zinc/39/17/51/927391751.db2.gz VEGZGCOBNDZDSL-NWDGAFQWSA-N 2 2 311.386 -1.114 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001425796064 927449839 /nfs/dbraw/zinc/44/98/39/927449839.db2.gz KQAQJIDZTQNSIG-NSHDSACASA-N 2 2 310.402 -1.276 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001425795057 927449939 /nfs/dbraw/zinc/44/99/39/927449939.db2.gz ZCMHPEMFTXNPGY-GHMZBOCLSA-N 2 2 309.370 -1.742 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001425795084 927450493 /nfs/dbraw/zinc/45/04/93/927450493.db2.gz ZCMHPEMFTXNPGY-WDEREUQCSA-N 2 2 309.370 -1.742 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001425795076 927450669 /nfs/dbraw/zinc/45/06/69/927450669.db2.gz ZCMHPEMFTXNPGY-MNOVXSKESA-N 2 2 309.370 -1.742 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001425796058 927451287 /nfs/dbraw/zinc/45/12/87/927451287.db2.gz KQAQJIDZTQNSIG-LLVKDONJSA-N 2 2 310.402 -1.276 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001425821688 927463565 /nfs/dbraw/zinc/46/35/65/927463565.db2.gz WPPGABVPNKFNIX-LBPRGKRZSA-N 2 2 316.402 -2.136 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425853476 927478713 /nfs/dbraw/zinc/47/87/13/927478713.db2.gz JTTSAURGZYOWPD-VXGBXAGGSA-N 2 2 309.370 -1.382 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001425859452 927481198 /nfs/dbraw/zinc/48/11/98/927481198.db2.gz UNRAFUTUDXULRX-LLVKDONJSA-N 2 2 311.386 -1.492 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001425891749 927488465 /nfs/dbraw/zinc/48/84/65/927488465.db2.gz HAFJCKVHVVGYKE-GXSJLCMTSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001425891783 927489143 /nfs/dbraw/zinc/48/91/43/927489143.db2.gz HAFJCKVHVVGYKE-MWLCHTKSSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001426013625 927505752 /nfs/dbraw/zinc/50/57/52/927505752.db2.gz HKJHTJOZOQIESE-HBNTYKKESA-N 2 2 309.370 -1.332 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001426041263 927514412 /nfs/dbraw/zinc/51/44/12/927514412.db2.gz GDRKRZAJLCIPIK-NWDGAFQWSA-N 2 2 323.397 -1.052 20 0 DAADLP CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001426034720 927515801 /nfs/dbraw/zinc/51/58/01/927515801.db2.gz XJUPDVILHAIUGP-NEPJUHHUSA-N 2 2 311.386 -1.365 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001426051204 927517095 /nfs/dbraw/zinc/51/70/95/927517095.db2.gz ISKFEKHFYQECOD-GFCCVEGCSA-N 2 2 321.385 -1.071 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001426052984 927518316 /nfs/dbraw/zinc/51/83/16/927518316.db2.gz LTPPEXMANRZYOU-LBPRGKRZSA-N 2 2 321.385 -1.071 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O)[NH+](C)C ZINC001426663610 927569050 /nfs/dbraw/zinc/56/90/50/927569050.db2.gz IJDIRTMWZQDQBT-AGIUHOORSA-N 2 2 323.397 -1.089 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001426886846 927585719 /nfs/dbraw/zinc/58/57/19/927585719.db2.gz NHFRGMCTHVIISJ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427890276 927698590 /nfs/dbraw/zinc/69/85/90/927698590.db2.gz GOIGNLZHEIQGEZ-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427890276 927698600 /nfs/dbraw/zinc/69/86/00/927698600.db2.gz GOIGNLZHEIQGEZ-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427890256 927699160 /nfs/dbraw/zinc/69/91/60/927699160.db2.gz GOIGNLZHEIQGEZ-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427890256 927699169 /nfs/dbraw/zinc/69/91/69/927699169.db2.gz GOIGNLZHEIQGEZ-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001429276363 927854618 /nfs/dbraw/zinc/85/46/18/927854618.db2.gz DGYBHWDPKMCZNX-QWHCGFSZSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H](CO)NC(N)=O)c2)CC1 ZINC001434280125 928324667 /nfs/dbraw/zinc/32/46/67/928324667.db2.gz ZBDHBFQCLYSRIM-NSHDSACASA-N 2 2 322.369 -1.199 20 0 DAADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H](CO)NC(N)=O)c2)CC1 ZINC001434280123 928326263 /nfs/dbraw/zinc/32/62/63/928326263.db2.gz ZBDHBFQCLYSRIM-LLVKDONJSA-N 2 2 322.369 -1.199 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CCO)CC(N)=O)C1 ZINC001436451502 928400185 /nfs/dbraw/zinc/40/01/85/928400185.db2.gz JUEFRSLZHKJRMX-STQMWFEESA-N 2 2 312.414 -1.149 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](CCO)CC(N)=O)C1 ZINC001436451502 928400194 /nfs/dbraw/zinc/40/01/94/928400194.db2.gz JUEFRSLZHKJRMX-STQMWFEESA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001436451502 928400206 /nfs/dbraw/zinc/40/02/06/928400206.db2.gz JUEFRSLZHKJRMX-STQMWFEESA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001436451502 928400215 /nfs/dbraw/zinc/40/02/15/928400215.db2.gz JUEFRSLZHKJRMX-STQMWFEESA-N 2 2 312.414 -1.149 20 0 DAADLP CNC(=O)C[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001437463086 928452217 /nfs/dbraw/zinc/45/22/17/928452217.db2.gz NPLXGKYMUUAIDB-UHFFFAOYSA-N 2 2 310.402 -1.148 20 0 DAADLP CNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001437463086 928452226 /nfs/dbraw/zinc/45/22/26/928452226.db2.gz NPLXGKYMUUAIDB-UHFFFAOYSA-N 2 2 310.402 -1.148 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001437564235 928462282 /nfs/dbraw/zinc/46/22/82/928462282.db2.gz VCEDGBJGOCVKRE-UHFFFAOYSA-N 2 2 310.358 -1.305 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001437564235 928462284 /nfs/dbraw/zinc/46/22/84/928462284.db2.gz VCEDGBJGOCVKRE-UHFFFAOYSA-N 2 2 310.358 -1.305 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781093 928479687 /nfs/dbraw/zinc/47/96/87/928479687.db2.gz NEKGCNHSDQCFFK-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781093 928479691 /nfs/dbraw/zinc/47/96/91/928479691.db2.gz NEKGCNHSDQCFFK-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781093 928479693 /nfs/dbraw/zinc/47/96/93/928479693.db2.gz NEKGCNHSDQCFFK-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781093 928479696 /nfs/dbraw/zinc/47/96/96/928479696.db2.gz NEKGCNHSDQCFFK-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781091 928479835 /nfs/dbraw/zinc/47/98/35/928479835.db2.gz NEKGCNHSDQCFFK-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781091 928479839 /nfs/dbraw/zinc/47/98/39/928479839.db2.gz NEKGCNHSDQCFFK-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781091 928479842 /nfs/dbraw/zinc/47/98/42/928479842.db2.gz NEKGCNHSDQCFFK-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781091 928479845 /nfs/dbraw/zinc/47/98/45/928479845.db2.gz NEKGCNHSDQCFFK-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001437844248 928481466 /nfs/dbraw/zinc/48/14/66/928481466.db2.gz SKCQEBWNCIEHKX-SNVBAGLBSA-N 2 2 324.385 -1.145 20 0 DAADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001438122228 928497516 /nfs/dbraw/zinc/49/75/16/928497516.db2.gz MRFPHVRYWNEPNF-MWLCHTKSSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001438122228 928497524 /nfs/dbraw/zinc/49/75/24/928497524.db2.gz MRFPHVRYWNEPNF-MWLCHTKSSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001438162394 928503019 /nfs/dbraw/zinc/50/30/19/928503019.db2.gz QBKYSFXGDDFAEJ-GXTWGEPZSA-N 2 2 324.425 -1.109 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001438211347 928508154 /nfs/dbraw/zinc/50/81/54/928508154.db2.gz HCPNBVNEXQJELL-GMTAPVOTSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001438211347 928508161 /nfs/dbraw/zinc/50/81/61/928508161.db2.gz HCPNBVNEXQJELL-GMTAPVOTSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001438211347 928508166 /nfs/dbraw/zinc/50/81/66/928508166.db2.gz HCPNBVNEXQJELL-GMTAPVOTSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001438211347 928508171 /nfs/dbraw/zinc/50/81/71/928508171.db2.gz HCPNBVNEXQJELL-GMTAPVOTSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001438698056 928531563 /nfs/dbraw/zinc/53/15/63/928531563.db2.gz GJFZLMYPYIFNGQ-DTWKUNHWSA-N 2 2 310.358 -1.028 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001438781181 928533797 /nfs/dbraw/zinc/53/37/97/928533797.db2.gz YCVMGOHIFRYOEI-NXEZZACHSA-N 2 2 322.369 -1.026 20 0 DAADLP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001438869053 928537717 /nfs/dbraw/zinc/53/77/17/928537717.db2.gz VVCZQYYLAMRBQN-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001438869053 928537726 /nfs/dbraw/zinc/53/77/26/928537726.db2.gz VVCZQYYLAMRBQN-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001438869053 928537732 /nfs/dbraw/zinc/53/77/32/928537732.db2.gz VVCZQYYLAMRBQN-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001438869053 928537742 /nfs/dbraw/zinc/53/77/42/928537742.db2.gz VVCZQYYLAMRBQN-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001438890633 928539405 /nfs/dbraw/zinc/53/94/05/928539405.db2.gz QPFYEEIBAHYCOD-SNVBAGLBSA-N 2 2 301.391 -1.088 20 0 DAADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001438890633 928539412 /nfs/dbraw/zinc/53/94/12/928539412.db2.gz QPFYEEIBAHYCOD-SNVBAGLBSA-N 2 2 301.391 -1.088 20 0 DAADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)co1 ZINC001438970321 928551394 /nfs/dbraw/zinc/55/13/94/928551394.db2.gz MVVUHASOHQWGRK-CHWSQXEVSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)co1 ZINC001438970321 928551411 /nfs/dbraw/zinc/55/14/11/928551411.db2.gz MVVUHASOHQWGRK-CHWSQXEVSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)co1 ZINC001438970333 928551442 /nfs/dbraw/zinc/55/14/42/928551442.db2.gz MVVUHASOHQWGRK-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)co1 ZINC001438970333 928551453 /nfs/dbraw/zinc/55/14/53/928551453.db2.gz MVVUHASOHQWGRK-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439006923 928570441 /nfs/dbraw/zinc/57/04/41/928570441.db2.gz IBFSFORZGKGEER-AAEUAGOBSA-N 2 2 323.397 -1.400 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001439009012 928571724 /nfs/dbraw/zinc/57/17/24/928571724.db2.gz NBWJUFWJQWUYFH-GHMZBOCLSA-N 2 2 309.370 -1.742 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439006939 928571792 /nfs/dbraw/zinc/57/17/92/928571792.db2.gz IBFSFORZGKGEER-YPMHNXCESA-N 2 2 323.397 -1.400 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001439009623 928572993 /nfs/dbraw/zinc/57/29/93/928572993.db2.gz FBPQELPKHGVKMI-NXEZZACHSA-N 2 2 312.374 -2.231 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001439009623 928573002 /nfs/dbraw/zinc/57/30/02/928573002.db2.gz FBPQELPKHGVKMI-NXEZZACHSA-N 2 2 312.374 -2.231 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001439010820 928574829 /nfs/dbraw/zinc/57/48/29/928574829.db2.gz HTGLHQURESTRKI-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001439016739 928578382 /nfs/dbraw/zinc/57/83/82/928578382.db2.gz LEEMQHZFFMIQEV-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001439024491 928579487 /nfs/dbraw/zinc/57/94/87/928579487.db2.gz CHUPMXDQBKAUTC-LBPRGKRZSA-N 2 2 311.386 -1.114 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001439041999 928589323 /nfs/dbraw/zinc/58/93/23/928589323.db2.gz AVSUSEFDHLMGFS-ZYHUDNBSSA-N 2 2 311.386 -1.494 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001439051956 928594420 /nfs/dbraw/zinc/59/44/20/928594420.db2.gz HBRSJRVUXWXGPH-JTQLQIEISA-N 2 2 314.390 -1.985 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001439051956 928594427 /nfs/dbraw/zinc/59/44/27/928594427.db2.gz HBRSJRVUXWXGPH-JTQLQIEISA-N 2 2 314.390 -1.985 20 0 DAADLP C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439153739 928602115 /nfs/dbraw/zinc/60/21/15/928602115.db2.gz FTPVUIILTWCFKG-SNVBAGLBSA-N 2 2 322.369 -1.995 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001439763923 928642705 /nfs/dbraw/zinc/64/27/05/928642705.db2.gz CRZHQSLYTVHWHM-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001439763923 928642713 /nfs/dbraw/zinc/64/27/13/928642713.db2.gz CRZHQSLYTVHWHM-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001439976388 928651329 /nfs/dbraw/zinc/65/13/29/928651329.db2.gz DDHUIIPQCDQFSE-XJKSGUPXSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001439976388 928651337 /nfs/dbraw/zinc/65/13/37/928651337.db2.gz DDHUIIPQCDQFSE-XJKSGUPXSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439976388 928651346 /nfs/dbraw/zinc/65/13/46/928651346.db2.gz DDHUIIPQCDQFSE-XJKSGUPXSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439976388 928651351 /nfs/dbraw/zinc/65/13/51/928651351.db2.gz DDHUIIPQCDQFSE-XJKSGUPXSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001439976337 928652112 /nfs/dbraw/zinc/65/21/12/928652112.db2.gz DDHUIIPQCDQFSE-BBRMVZONSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=O)NC2CC2)C1 ZINC001439976337 928652117 /nfs/dbraw/zinc/65/21/17/928652117.db2.gz DDHUIIPQCDQFSE-BBRMVZONSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439976337 928652122 /nfs/dbraw/zinc/65/21/22/928652122.db2.gz DDHUIIPQCDQFSE-BBRMVZONSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439976337 928652128 /nfs/dbraw/zinc/65/21/28/928652128.db2.gz DDHUIIPQCDQFSE-BBRMVZONSA-N 2 2 324.425 -1.088 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001440010202 928667093 /nfs/dbraw/zinc/66/70/93/928667093.db2.gz MCDXLFIXVALVDP-AWEZNQCLSA-N 2 2 310.402 -1.180 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001440010202 928667099 /nfs/dbraw/zinc/66/70/99/928667099.db2.gz MCDXLFIXVALVDP-AWEZNQCLSA-N 2 2 310.402 -1.180 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440019948 928670533 /nfs/dbraw/zinc/67/05/33/928670533.db2.gz CVPYGLOPZJXGMQ-SWLSCSKDSA-N 2 2 310.398 -1.476 20 0 DAADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440019948 928670538 /nfs/dbraw/zinc/67/05/38/928670538.db2.gz CVPYGLOPZJXGMQ-SWLSCSKDSA-N 2 2 310.398 -1.476 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440027918 928671487 /nfs/dbraw/zinc/67/14/87/928671487.db2.gz AHTQAPGFUWRUCA-SWLSCSKDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440027918 928671490 /nfs/dbraw/zinc/67/14/90/928671490.db2.gz AHTQAPGFUWRUCA-SWLSCSKDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCC[N@H+](CC(N)=O)C2)CC1 ZINC001440183745 928701189 /nfs/dbraw/zinc/70/11/89/928701189.db2.gz MTIOLQUEPFQCFH-HNNXBMFYSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001440183745 928701192 /nfs/dbraw/zinc/70/11/92/928701192.db2.gz MTIOLQUEPFQCFH-HNNXBMFYSA-N 2 2 312.414 -1.243 20 0 DAADLP O=C(CCn1cc[nH+]c1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001440207504 928706872 /nfs/dbraw/zinc/70/68/72/928706872.db2.gz OGSWKYQGIQBAIG-GFCCVEGCSA-N 2 2 309.370 -1.428 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001440387928 928719712 /nfs/dbraw/zinc/71/97/12/928719712.db2.gz CRBTVSXRALAHBQ-ZDUSSCGKSA-N 2 2 311.430 -1.358 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001440390648 928720793 /nfs/dbraw/zinc/72/07/93/928720793.db2.gz CZKHCICVMOMZEF-CYBMUJFWSA-N 2 2 323.397 -1.084 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001440407990 928723392 /nfs/dbraw/zinc/72/33/92/928723392.db2.gz ZLUGAOVVDXZVAB-NSHDSACASA-N 2 2 309.370 -1.176 20 0 DAADLP NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001440552576 928730821 /nfs/dbraw/zinc/73/08/21/928730821.db2.gz NZCMQRRYSKZTRJ-CQSZACIVSA-N 2 2 309.370 -1.298 20 0 DAADLP CNC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001440570845 928732562 /nfs/dbraw/zinc/73/25/62/928732562.db2.gz IXKVFEYYRNHOGL-UHFFFAOYSA-N 2 2 323.397 -1.036 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001440705567 928741637 /nfs/dbraw/zinc/74/16/37/928741637.db2.gz QOZWLRMWHQJCFR-GFCCVEGCSA-N 2 2 312.414 -1.101 20 0 DAADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001440844448 928746262 /nfs/dbraw/zinc/74/62/62/928746262.db2.gz ASDBNVCZVJCWSZ-VHSXEESVSA-N 2 2 307.358 -1.012 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)NC(N)=O ZINC001440902974 928747872 /nfs/dbraw/zinc/74/78/72/928747872.db2.gz JIBZAAVLLNTSBX-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)NC(N)=O ZINC001440902974 928747883 /nfs/dbraw/zinc/74/78/83/928747883.db2.gz JIBZAAVLLNTSBX-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440902974 928747893 /nfs/dbraw/zinc/74/78/93/928747893.db2.gz JIBZAAVLLNTSBX-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440902974 928747902 /nfs/dbraw/zinc/74/79/02/928747902.db2.gz JIBZAAVLLNTSBX-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001441324581 928781403 /nfs/dbraw/zinc/78/14/03/928781403.db2.gz BFAOKFOPCMYZCT-NEPJUHHUSA-N 2 2 309.370 -1.165 20 0 DAADLP CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001441728252 928842910 /nfs/dbraw/zinc/84/29/10/928842910.db2.gz FRIPLLZPTKGDQB-VXGBXAGGSA-N 2 2 300.403 -1.327 20 0 DAADLP CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001441728252 928842918 /nfs/dbraw/zinc/84/29/18/928842918.db2.gz FRIPLLZPTKGDQB-VXGBXAGGSA-N 2 2 300.403 -1.327 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001441778107 928862677 /nfs/dbraw/zinc/86/26/77/928862677.db2.gz YDYKGZSICXADEF-QWRGUYRKSA-N 2 2 309.370 -1.442 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001441778117 928863096 /nfs/dbraw/zinc/86/30/96/928863096.db2.gz YDYKGZSICXADEF-WDEREUQCSA-N 2 2 309.370 -1.442 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)nc1=O ZINC001441791006 928865162 /nfs/dbraw/zinc/86/51/62/928865162.db2.gz JONBVMIVVHCCTL-JTQLQIEISA-N 2 2 312.374 -2.229 20 0 DAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001441794436 928866732 /nfs/dbraw/zinc/86/67/32/928866732.db2.gz SZWWTNBIVDTXBE-WDEREUQCSA-N 2 2 311.386 -1.494 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441800273 928868758 /nfs/dbraw/zinc/86/87/58/928868758.db2.gz RXKPJGPABGQYGM-LBPRGKRZSA-N 2 2 300.403 -1.327 20 0 DAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001441923013 928884359 /nfs/dbraw/zinc/88/43/59/928884359.db2.gz HNSJVDLXJSNMLY-VXGBXAGGSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001441923013 928884371 /nfs/dbraw/zinc/88/43/71/928884371.db2.gz HNSJVDLXJSNMLY-VXGBXAGGSA-N 2 2 312.414 -1.110 20 0 DAADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001441933581 928884418 /nfs/dbraw/zinc/88/44/18/928884418.db2.gz QPFOJMLJGGNEED-JTQLQIEISA-N 2 2 322.369 -1.026 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001442009878 928905845 /nfs/dbraw/zinc/90/58/45/928905845.db2.gz CHQPOLCVTGNMOW-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)Cc1c[nH+]cn1C ZINC001442046466 928916418 /nfs/dbraw/zinc/91/64/18/928916418.db2.gz RXYVVWFBQMIYLB-ZDUSSCGKSA-N 2 2 323.397 -1.396 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001442109393 928930218 /nfs/dbraw/zinc/93/02/18/928930218.db2.gz YCIYRHXJZRUJIB-VIFPVBQESA-N 2 2 308.342 -1.402 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001442142021 928932995 /nfs/dbraw/zinc/93/29/95/928932995.db2.gz DTIFTBIXIRYITF-JTQLQIEISA-N 2 2 322.369 -1.154 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001443652888 929019236 /nfs/dbraw/zinc/01/92/36/929019236.db2.gz OYEPBACENLFMPV-RYUDHWBXSA-N 2 2 312.414 -1.124 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001444198656 929085203 /nfs/dbraw/zinc/08/52/03/929085203.db2.gz NXOPLYNCYJTKKA-LLVKDONJSA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001444198656 929085211 /nfs/dbraw/zinc/08/52/11/929085211.db2.gz NXOPLYNCYJTKKA-LLVKDONJSA-N 2 2 311.386 -1.114 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444382789 929118781 /nfs/dbraw/zinc/11/87/81/929118781.db2.gz DGDHDGFEUATELS-JTQLQIEISA-N 2 2 324.385 -1.240 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001444419104 929119601 /nfs/dbraw/zinc/11/96/01/929119601.db2.gz HVBHQOQJXKPKEQ-JTQLQIEISA-N 2 2 310.358 -1.319 20 0 DAADLP CC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001445241360 929197372 /nfs/dbraw/zinc/19/73/72/929197372.db2.gz BJSFAJYZUFHNCG-NSHDSACASA-N 2 2 311.386 -1.066 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001445275123 929209697 /nfs/dbraw/zinc/20/96/97/929209697.db2.gz SJCLPOHSYMUBMQ-WDEREUQCSA-N 2 2 311.390 -1.566 20 0 DAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001445280535 929213316 /nfs/dbraw/zinc/21/33/16/929213316.db2.gz UKUFDXJBOXOTLN-ZDUSSCGKSA-N 2 2 306.370 -1.037 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001445277222 929213464 /nfs/dbraw/zinc/21/34/64/929213464.db2.gz HTYSMSIALVAXHD-NWDGAFQWSA-N 2 2 319.369 -1.271 20 0 DAADLP CC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445283081 929216319 /nfs/dbraw/zinc/21/63/19/929216319.db2.gz ZJMCTHIZOHZNOA-JTQLQIEISA-N 2 2 311.386 -1.066 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445373186 929218033 /nfs/dbraw/zinc/21/80/33/929218033.db2.gz LQYDMOQABFPMBJ-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445373186 929218042 /nfs/dbraw/zinc/21/80/42/929218042.db2.gz LQYDMOQABFPMBJ-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cn1cc[nH+]c1 ZINC001445496572 929227280 /nfs/dbraw/zinc/22/72/80/929227280.db2.gz HVGIHLPEUUSCCT-LLVKDONJSA-N 2 2 322.369 -2.064 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445537456 929236435 /nfs/dbraw/zinc/23/64/35/929236435.db2.gz RXQLIIDSHORLQD-DTWKUNHWSA-N 2 2 301.347 -2.394 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445537456 929236449 /nfs/dbraw/zinc/23/64/49/929236449.db2.gz RXQLIIDSHORLQD-DTWKUNHWSA-N 2 2 301.347 -2.394 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)C1 ZINC001445657909 929247273 /nfs/dbraw/zinc/24/72/73/929247273.db2.gz OQNRBXMPLKJEBJ-QWRGUYRKSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)C1 ZINC001445657909 929247282 /nfs/dbraw/zinc/24/72/82/929247282.db2.gz OQNRBXMPLKJEBJ-QWRGUYRKSA-N 2 2 311.390 -1.475 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001445662054 929250886 /nfs/dbraw/zinc/25/08/86/929250886.db2.gz AORLGEHWWPLLSF-UWVGGRQHSA-N 2 2 310.358 -1.179 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001446216937 929280701 /nfs/dbraw/zinc/28/07/01/929280701.db2.gz KKJKSPSHLBFRGT-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001446217022 929281161 /nfs/dbraw/zinc/28/11/61/929281161.db2.gz XPWALAZOWRHDJQ-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446892003 929348472 /nfs/dbraw/zinc/34/84/72/929348472.db2.gz RCPJKKYIPBECMF-ZDUSSCGKSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001446974275 929357418 /nfs/dbraw/zinc/35/74/18/929357418.db2.gz QQBRGKCLDMXASD-VHSXEESVSA-N 2 2 322.369 -1.169 20 0 DAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001447298755 929384372 /nfs/dbraw/zinc/38/43/72/929384372.db2.gz FIMYJTMTKDRJCI-LBPRGKRZSA-N 2 2 309.370 -1.034 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001447464129 929394555 /nfs/dbraw/zinc/39/45/55/929394555.db2.gz SBHJSCFOQBGIFK-HNNXBMFYSA-N 2 2 323.397 -1.219 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001447730405 929410059 /nfs/dbraw/zinc/41/00/59/929410059.db2.gz PEMBGMHUHKOAKA-GFCCVEGCSA-N 2 2 312.414 -1.243 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001447730405 929410066 /nfs/dbraw/zinc/41/00/66/929410066.db2.gz PEMBGMHUHKOAKA-GFCCVEGCSA-N 2 2 312.414 -1.243 20 0 DAADLP NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001448456329 929454441 /nfs/dbraw/zinc/45/44/41/929454441.db2.gz TZLAPJBOQLLQRR-XYYAHUGASA-N 2 2 310.398 -1.512 20 0 DAADLP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001448456329 929454451 /nfs/dbraw/zinc/45/44/51/929454451.db2.gz TZLAPJBOQLLQRR-XYYAHUGASA-N 2 2 310.398 -1.512 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001448771989 929469061 /nfs/dbraw/zinc/46/90/61/929469061.db2.gz MAOFSPHTWJBVAD-JTQLQIEISA-N 2 2 324.385 -1.145 20 0 DAADLP CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001448830092 929486792 /nfs/dbraw/zinc/48/67/92/929486792.db2.gz RCRJMXTUGHHROF-OLZOCXBDSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001448830092 929486799 /nfs/dbraw/zinc/48/67/99/929486799.db2.gz RCRJMXTUGHHROF-OLZOCXBDSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001448830101 929486899 /nfs/dbraw/zinc/48/68/99/929486899.db2.gz RCRJMXTUGHHROF-STQMWFEESA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001448830101 929486905 /nfs/dbraw/zinc/48/69/05/929486905.db2.gz RCRJMXTUGHHROF-STQMWFEESA-N 2 2 310.402 -1.041 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001448847032 929493012 /nfs/dbraw/zinc/49/30/12/929493012.db2.gz UUAURJAAXQDHOS-NSHDSACASA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001448847032 929493019 /nfs/dbraw/zinc/49/30/19/929493019.db2.gz UUAURJAAXQDHOS-NSHDSACASA-N 2 2 310.402 -1.134 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)c[nH+]1 ZINC001448856958 929497685 /nfs/dbraw/zinc/49/76/85/929497685.db2.gz BFUVPQJFKYAFMY-VXGBXAGGSA-N 2 2 323.397 -1.118 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001448867221 929499839 /nfs/dbraw/zinc/49/98/39/929499839.db2.gz HQLXGYJINGMQDZ-CYBMUJFWSA-N 2 2 323.397 -1.119 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001448862575 929499855 /nfs/dbraw/zinc/49/98/55/929499855.db2.gz SGLSGTZCPOQNTK-NWDGAFQWSA-N 2 2 323.397 -1.400 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001448875213 929503476 /nfs/dbraw/zinc/50/34/76/929503476.db2.gz DBBQIGIWYGHAIG-RYUDHWBXSA-N 2 2 323.397 -1.302 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001448878771 929504698 /nfs/dbraw/zinc/50/46/98/929504698.db2.gz IBEVLBQXHBZDDD-GHMZBOCLSA-N 2 2 311.386 -1.446 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001448875216 929504742 /nfs/dbraw/zinc/50/47/42/929504742.db2.gz DBBQIGIWYGHAIG-VXGBXAGGSA-N 2 2 323.397 -1.302 20 0 DAADLP CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448945884 929522035 /nfs/dbraw/zinc/52/20/35/929522035.db2.gz LGBKCFKJYVAJQW-NSHDSACASA-N 2 2 321.385 -1.159 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001448947911 929522803 /nfs/dbraw/zinc/52/28/03/929522803.db2.gz ORXNHTZMFCULJH-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001448947911 929522816 /nfs/dbraw/zinc/52/28/16/929522816.db2.gz ORXNHTZMFCULJH-DGCLKSJQSA-N 2 2 310.402 -1.276 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946596 929523514 /nfs/dbraw/zinc/52/35/14/929523514.db2.gz DVVIXLUGZCYZPX-NEPJUHHUSA-N 2 2 316.402 -2.138 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946596 929523520 /nfs/dbraw/zinc/52/35/20/929523520.db2.gz DVVIXLUGZCYZPX-NEPJUHHUSA-N 2 2 316.402 -2.138 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001448950150 929524360 /nfs/dbraw/zinc/52/43/60/929524360.db2.gz UBBKPWIPBXZRDD-JQWIXIFHSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001448950154 929525125 /nfs/dbraw/zinc/52/51/25/929525125.db2.gz UBBKPWIPBXZRDD-PWSUYJOCSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001448950146 929525145 /nfs/dbraw/zinc/52/51/45/929525145.db2.gz UBBKPWIPBXZRDD-CMPLNLGQSA-N 2 2 309.370 -1.692 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950563 929525530 /nfs/dbraw/zinc/52/55/30/929525530.db2.gz IAFKEVBIYVFSQT-GHMZBOCLSA-N 2 2 323.401 -1.474 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950563 929525537 /nfs/dbraw/zinc/52/55/37/929525537.db2.gz IAFKEVBIYVFSQT-GHMZBOCLSA-N 2 2 323.401 -1.474 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001448950076 929525643 /nfs/dbraw/zinc/52/56/43/929525643.db2.gz TULLXFACBFRJLI-LLVKDONJSA-N 2 2 324.385 -1.946 20 0 DAADLP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001448984966 929527383 /nfs/dbraw/zinc/52/73/83/929527383.db2.gz OYVMIUHRLWFOIA-BDAKNGLRSA-N 2 2 308.342 -1.274 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCn1cc[nH+]c1 ZINC001449129852 929549679 /nfs/dbraw/zinc/54/96/79/929549679.db2.gz DZRJBDBJYYJNCN-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001449140975 929550486 /nfs/dbraw/zinc/55/04/86/929550486.db2.gz ZIZAQORNTGDPNR-PWSUYJOCSA-N 2 2 309.370 -1.660 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001449154389 929555706 /nfs/dbraw/zinc/55/57/06/929555706.db2.gz BMGCJEPPQHASGW-NXEZZACHSA-N 2 2 311.386 -1.030 20 0 DAADLP CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449167165 929558829 /nfs/dbraw/zinc/55/88/29/929558829.db2.gz SJFXXIMTOITQTC-LLVKDONJSA-N 2 2 307.358 -1.310 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214491 929570200 /nfs/dbraw/zinc/57/02/00/929570200.db2.gz NSSYNNHKAYHRIT-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214491 929570209 /nfs/dbraw/zinc/57/02/09/929570209.db2.gz NSSYNNHKAYHRIT-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001513667703 929642969 /nfs/dbraw/zinc/64/29/69/929642969.db2.gz VXPSYEQUOITTRS-OLZOCXBDSA-N 2 2 323.397 -1.398 20 0 DAADLP [NH3+]CCNCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001521454160 929661813 /nfs/dbraw/zinc/66/18/13/929661813.db2.gz FDXYJHOVFBSUEM-CYBMUJFWSA-N 2 2 302.444 -1.141 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522568706 929681162 /nfs/dbraw/zinc/68/11/62/929681162.db2.gz IFKMMTBLHXSYLI-GFCCVEGCSA-N 2 2 309.370 -1.245 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522568706 929681166 /nfs/dbraw/zinc/68/11/66/929681166.db2.gz IFKMMTBLHXSYLI-GFCCVEGCSA-N 2 2 309.370 -1.245 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522568717 929682417 /nfs/dbraw/zinc/68/24/17/929682417.db2.gz IFKMMTBLHXSYLI-LBPRGKRZSA-N 2 2 309.370 -1.245 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522568717 929682432 /nfs/dbraw/zinc/68/24/32/929682432.db2.gz IFKMMTBLHXSYLI-LBPRGKRZSA-N 2 2 309.370 -1.245 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731089 930039804 /nfs/dbraw/zinc/03/98/04/930039804.db2.gz DQDGOVAXDHDUOL-KGLIPLIRSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731089 930039810 /nfs/dbraw/zinc/03/98/10/930039810.db2.gz DQDGOVAXDHDUOL-KGLIPLIRSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001548731089 930039818 /nfs/dbraw/zinc/03/98/18/930039818.db2.gz DQDGOVAXDHDUOL-KGLIPLIRSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001548731089 930039825 /nfs/dbraw/zinc/03/98/25/930039825.db2.gz DQDGOVAXDHDUOL-KGLIPLIRSA-N 2 2 324.425 -1.060 20 0 DAADLP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3COCC[NH2+]3)CC2)C1=O ZINC001550093174 930060922 /nfs/dbraw/zinc/06/09/22/930060922.db2.gz ZAFGGSWYNWZFSV-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001593785646 954700975 /nfs/dbraw/zinc/70/09/75/954700975.db2.gz ZWZYLAKCCBLSJP-CQSZACIVSA-N 2 2 314.430 -1.267 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394460421 545644936 /nfs/dbraw/zinc/64/49/36/545644936.db2.gz QAOUENYHQKSYES-JSGCOSHPSA-N 2 2 311.430 -1.408 20 0 DAADLP COCCN1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653156564 545648123 /nfs/dbraw/zinc/64/81/23/545648123.db2.gz FMGNJVDWNPHLPM-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP C[C@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000670639830 545654473 /nfs/dbraw/zinc/65/44/73/545654473.db2.gz LXLPQQZHVIZVSF-NWDGAFQWSA-N 2 2 309.370 -1.165 20 0 DAADLP C[C@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000670639830 545654479 /nfs/dbraw/zinc/65/44/79/545654479.db2.gz LXLPQQZHVIZVSF-NWDGAFQWSA-N 2 2 309.370 -1.165 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000355268777 545656361 /nfs/dbraw/zinc/65/63/61/545656361.db2.gz SBLOYUXKEDSRAO-AWEZNQCLSA-N 2 2 315.414 -1.140 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DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(CO)CO)C2)CC1 ZINC000608686772 373275687 /nfs/dbraw/zinc/27/56/87/373275687.db2.gz WSKFIDNXMNJJMH-NSHDSACASA-N 2 2 300.403 -1.193 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(CO)CO)C2)CC1 ZINC000608686772 373275693 /nfs/dbraw/zinc/27/56/93/373275693.db2.gz WSKFIDNXMNJJMH-NSHDSACASA-N 2 2 300.403 -1.193 20 0 DAADLP C[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717171 373257785 /nfs/dbraw/zinc/25/77/85/373257785.db2.gz VFYMXRVDUJVKGI-STQMWFEESA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717171 373257795 /nfs/dbraw/zinc/25/77/95/373257795.db2.gz VFYMXRVDUJVKGI-STQMWFEESA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572060161 373328640 /nfs/dbraw/zinc/32/86/40/373328640.db2.gz STEANVRRPKANHP-NDBYEHHHSA-N 2 2 310.398 -1.086 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572060161 373328652 /nfs/dbraw/zinc/32/86/52/373328652.db2.gz STEANVRRPKANHP-NDBYEHHHSA-N 2 2 310.398 -1.086 20 0 DAADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCNC(=O)C1 ZINC000174716385 373298872 /nfs/dbraw/zinc/29/88/72/373298872.db2.gz DSBUSFPTZOHMHK-UHFFFAOYSA-N 2 2 311.430 -1.486 20 0 DAADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCNC(=O)C1 ZINC000174716385 373298884 /nfs/dbraw/zinc/29/88/84/373298884.db2.gz DSBUSFPTZOHMHK-UHFFFAOYSA-N 2 2 311.430 -1.486 20 0 DAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000178804111 373301535 /nfs/dbraw/zinc/30/15/35/373301535.db2.gz AAMTVMMXRSDTPM-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP C[C@@H]1NC(=O)N(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051705 373310240 /nfs/dbraw/zinc/31/02/40/373310240.db2.gz WTYJLLXFHSCKQU-NSHDSACASA-N 2 2 311.386 -1.368 20 0 DAADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051705 373310242 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322.405 -1.155 20 0 DAADLP O[C@@H]1C[NH+](CC(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c2ccccc2)C[C@@H]1O ZINC000639507742 373280430 /nfs/dbraw/zinc/28/04/30/373280430.db2.gz MIESHFGAYFVRAC-WNKDZCFJSA-N 2 2 322.405 -1.155 20 0 DAADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262375622 373334011 /nfs/dbraw/zinc/33/40/11/373334011.db2.gz XCYPLOJUGCKTOV-NEPJUHHUSA-N 2 2 314.386 -1.991 20 0 DAADLP COC[C@]1(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)CC[NH2+]C1 ZINC000580428933 373345972 /nfs/dbraw/zinc/34/59/72/373345972.db2.gz GZQHDVUWXCNZPG-HNNXBMFYSA-N 2 2 312.414 -1.107 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623205 373347992 /nfs/dbraw/zinc/34/79/92/373347992.db2.gz BNAZLQKVHKNZBJ-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423631909 373349582 /nfs/dbraw/zinc/34/95/82/373349582.db2.gz HXWCAOSDUYQICB-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000629788539 373403432 /nfs/dbraw/zinc/40/34/32/373403432.db2.gz RMMNSCQMUGXXLK-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629812837 373412957 /nfs/dbraw/zinc/41/29/57/373412957.db2.gz WJXKFNMIJNEEBF-LBPRGKRZSA-N 2 2 316.402 -2.055 20 0 DAADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000641567378 373427327 /nfs/dbraw/zinc/42/73/27/373427327.db2.gz DMFLDEBDSFDVFR-NWDGAFQWSA-N 2 2 300.384 -1.036 20 0 DAADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000641567378 373427334 /nfs/dbraw/zinc/42/73/34/373427334.db2.gz DMFLDEBDSFDVFR-NWDGAFQWSA-N 2 2 300.384 -1.036 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1=O ZINC000628917312 373380979 /nfs/dbraw/zinc/38/09/79/373380979.db2.gz MMQSNNUNTWUOBR-QWHCGFSZSA-N 2 2 312.414 -1.157 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC1=O ZINC000628917312 373380990 /nfs/dbraw/zinc/38/09/90/373380990.db2.gz MMQSNNUNTWUOBR-QWHCGFSZSA-N 2 2 312.414 -1.157 20 0 DAADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607194 373399296 /nfs/dbraw/zinc/39/92/96/373399296.db2.gz RAKCCABHMQCLME-OLZOCXBDSA-N 2 2 303.403 -1.110 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000629607067 373400712 /nfs/dbraw/zinc/40/07/12/373400712.db2.gz KEEINDKGFDVOOO-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000629607417 373400843 /nfs/dbraw/zinc/40/08/43/373400843.db2.gz SZQCAPZKUQGNAN-OLZOCXBDSA-N 2 2 301.387 -1.484 20 0 DAADLP CC(C)[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCOCC1 ZINC000236680969 373460280 /nfs/dbraw/zinc/46/02/80/373460280.db2.gz GLJPPTZWWZTGBN-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCOCCC[NH3+] ZINC000627216586 373462671 /nfs/dbraw/zinc/46/26/71/373462671.db2.gz WZQHBFDJALOADP-ZDUSSCGKSA-N 2 2 318.418 -1.314 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@H](C[NH3+])OC ZINC000564935799 373518070 /nfs/dbraw/zinc/51/80/70/373518070.db2.gz BNSAPFLINKIHHV-GFCCVEGCSA-N 2 2 317.386 -1.316 20 0 DAADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1CC[NH2+]CC1=O ZINC000564935930 373518569 /nfs/dbraw/zinc/51/85/69/373518569.db2.gz HPYXXXYVNJUIJT-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP Cn1c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000262528044 373520958 /nfs/dbraw/zinc/52/09/58/373520958.db2.gz PCPMXJRWXCTRMM-LBPRGKRZSA-N 2 2 307.398 -1.437 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000567806762 373536260 /nfs/dbraw/zinc/53/62/60/373536260.db2.gz DNDVRXSDIJHJDU-VIFPVBQESA-N 2 2 300.359 -1.715 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@@H](O)C[NH3+])C1 ZINC000566302761 373528382 /nfs/dbraw/zinc/52/83/82/373528382.db2.gz UIHJXVKXJGRWOO-UONOGXRCSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@@H](O)C[NH3+])C1 ZINC000566302761 373528388 /nfs/dbraw/zinc/52/83/88/373528388.db2.gz UIHJXVKXJGRWOO-UONOGXRCSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000566302761 373528396 /nfs/dbraw/zinc/52/83/96/373528396.db2.gz UIHJXVKXJGRWOO-UONOGXRCSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000566302761 373528402 /nfs/dbraw/zinc/52/84/02/373528402.db2.gz UIHJXVKXJGRWOO-UONOGXRCSA-N 3 2 316.446 -1.289 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566926597 373531502 /nfs/dbraw/zinc/53/15/02/373531502.db2.gz NWAYPRCQRNFKJA-GHMZBOCLSA-N 2 2 304.416 -1.488 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566926597 373531505 /nfs/dbraw/zinc/53/15/05/373531505.db2.gz NWAYPRCQRNFKJA-GHMZBOCLSA-N 2 2 304.416 -1.488 20 0 DAADLP CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567266697 373532705 /nfs/dbraw/zinc/53/27/05/373532705.db2.gz FZPNXMOGOKVYLA-LLVKDONJSA-N 2 2 322.431 -1.956 20 0 DAADLP CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567266697 373532711 /nfs/dbraw/zinc/53/27/11/373532711.db2.gz FZPNXMOGOKVYLA-LLVKDONJSA-N 2 2 322.431 -1.956 20 0 DAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000567165194 373533960 /nfs/dbraw/zinc/53/39/60/373533960.db2.gz SPVZWSBJZBELCO-LLVKDONJSA-N 2 2 323.397 -1.048 20 0 DAADLP C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000567165194 373533965 /nfs/dbraw/zinc/53/39/65/373533965.db2.gz SPVZWSBJZBELCO-LLVKDONJSA-N 2 2 323.397 -1.048 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529374288 373486031 /nfs/dbraw/zinc/48/60/31/373486031.db2.gz JPPWNNFSQPIZHO-LLVKDONJSA-N 2 2 313.402 -1.434 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000580964277 373596533 /nfs/dbraw/zinc/59/65/33/373596533.db2.gz UYBQPVPQPUTOGR-IJLUTSLNSA-N 2 2 311.386 -1.730 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000580964279 373596604 /nfs/dbraw/zinc/59/66/04/373596604.db2.gz UYBQPVPQPUTOGR-TUAOUCFPSA-N 2 2 311.386 -1.730 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000580964279 373596612 /nfs/dbraw/zinc/59/66/12/373596612.db2.gz UYBQPVPQPUTOGR-TUAOUCFPSA-N 2 2 311.386 -1.730 20 0 DAADLP O=C(C[NH2+]C1CC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178925816 373580720 /nfs/dbraw/zinc/58/07/20/373580720.db2.gz UIFIYOZGKQKENR-CYBMUJFWSA-N 2 2 310.398 -1.212 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567735236 373537838 /nfs/dbraw/zinc/53/78/38/373537838.db2.gz ADBHTCAAIVOYON-ZJUUUORDSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567735236 373537849 /nfs/dbraw/zinc/53/78/49/373537849.db2.gz ADBHTCAAIVOYON-ZJUUUORDSA-N 2 2 323.397 -1.092 20 0 DAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268184 373545001 /nfs/dbraw/zinc/54/50/01/373545001.db2.gz SHGWQTUTGLYHTB-VXGBXAGGSA-N 2 2 323.397 -1.001 20 0 DAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268184 373545011 /nfs/dbraw/zinc/54/50/11/373545011.db2.gz SHGWQTUTGLYHTB-VXGBXAGGSA-N 2 2 323.397 -1.001 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742592 373556375 /nfs/dbraw/zinc/55/63/75/373556375.db2.gz ZBUPNYMVEHLLTF-STQMWFEESA-N 2 2 323.459 -1.074 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742592 373556383 /nfs/dbraw/zinc/55/63/83/373556383.db2.gz ZBUPNYMVEHLLTF-STQMWFEESA-N 2 2 323.459 -1.074 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742592 373556392 /nfs/dbraw/zinc/55/63/92/373556392.db2.gz ZBUPNYMVEHLLTF-STQMWFEESA-N 2 2 323.459 -1.074 20 0 DAADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573507339 373557350 /nfs/dbraw/zinc/55/73/50/373557350.db2.gz YOXFWHXNQLZRAB-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP CCCCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573507339 373557359 /nfs/dbraw/zinc/55/73/59/373557359.db2.gz YOXFWHXNQLZRAB-WDEREUQCSA-N 2 2 311.386 -1.144 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576957658 373569828 /nfs/dbraw/zinc/56/98/28/373569828.db2.gz QCUPRKIHCCQIQX-FBIMIBRVSA-N 2 2 309.370 -1.393 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576957658 373569833 /nfs/dbraw/zinc/56/98/33/373569833.db2.gz QCUPRKIHCCQIQX-FBIMIBRVSA-N 2 2 309.370 -1.393 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577121632 373573630 /nfs/dbraw/zinc/57/36/30/373573630.db2.gz HCPZHJMLCZEHGL-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577121632 373573633 /nfs/dbraw/zinc/57/36/33/373573633.db2.gz HCPZHJMLCZEHGL-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000577121632 373573644 /nfs/dbraw/zinc/57/36/44/373573644.db2.gz HCPZHJMLCZEHGL-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577292371 373574344 /nfs/dbraw/zinc/57/43/44/373574344.db2.gz IVCKYSFYMDWBAI-HBNTYKKESA-N 2 2 311.386 -1.147 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577292371 373574355 /nfs/dbraw/zinc/57/43/55/373574355.db2.gz IVCKYSFYMDWBAI-HBNTYKKESA-N 2 2 311.386 -1.147 20 0 DAADLP C[N@H+]1CCN(C(=O)CCn2nc3ccccn3c2=O)[C@H](C[NH3+])C1 ZINC000577175541 373574560 /nfs/dbraw/zinc/57/45/60/373574560.db2.gz BLYYYTVOEMEYHY-GFCCVEGCSA-N 2 2 318.381 -1.013 20 0 DAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000577498683 373576241 /nfs/dbraw/zinc/57/62/41/373576241.db2.gz FBMRJPGYELEHJX-MNOVXSKESA-N 2 2 319.431 -1.695 20 0 DAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000577498683 373576246 /nfs/dbraw/zinc/57/62/46/373576246.db2.gz FBMRJPGYELEHJX-MNOVXSKESA-N 2 2 319.431 -1.695 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000580964277 373596526 /nfs/dbraw/zinc/59/65/26/373596526.db2.gz UYBQPVPQPUTOGR-IJLUTSLNSA-N 2 2 311.386 -1.730 20 0 DAADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000631859729 373636821 /nfs/dbraw/zinc/63/68/21/373636821.db2.gz DOALLJJYZNLHEZ-UWVGGRQHSA-N 2 2 306.370 -1.145 20 0 DAADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000631859729 373636824 /nfs/dbraw/zinc/63/68/24/373636824.db2.gz DOALLJJYZNLHEZ-UWVGGRQHSA-N 2 2 306.370 -1.145 20 0 DAADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000631859728 373636921 /nfs/dbraw/zinc/63/69/21/373636921.db2.gz DOALLJJYZNLHEZ-NXEZZACHSA-N 2 2 306.370 -1.145 20 0 DAADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000631859728 373636926 /nfs/dbraw/zinc/63/69/26/373636926.db2.gz DOALLJJYZNLHEZ-NXEZZACHSA-N 2 2 306.370 -1.145 20 0 DAADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000627323775 373649242 /nfs/dbraw/zinc/64/92/42/373649242.db2.gz FTPMBECRZURFCN-CHWSQXEVSA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031437 373653184 /nfs/dbraw/zinc/65/31/84/373653184.db2.gz NETOMGJNWCXWCA-XEZPLFJOSA-N 2 2 324.425 -1.149 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000580964278 373597889 /nfs/dbraw/zinc/59/78/89/373597889.db2.gz UYBQPVPQPUTOGR-QJPTWQEYSA-N 2 2 311.386 -1.730 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000580964278 373597893 /nfs/dbraw/zinc/59/78/93/373597893.db2.gz UYBQPVPQPUTOGR-QJPTWQEYSA-N 2 2 311.386 -1.730 20 0 DAADLP Cc1nc(N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)cc[nH+]1 ZINC000581934098 373607376 /nfs/dbraw/zinc/60/73/76/373607376.db2.gz MDHJVFZOUCGTCO-UHFFFAOYSA-N 2 2 304.354 -1.478 20 0 DAADLP Nc1nc(Nc2cnn(CC[NH+]3CCOCC3)c2)nc(N)[nH+]1 ZINC000623936890 373662162 /nfs/dbraw/zinc/66/21/62/373662162.db2.gz MZZJSUBTPCAQOB-UHFFFAOYSA-N 2 2 305.346 -1.609 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624042292 373664657 /nfs/dbraw/zinc/66/46/57/373664657.db2.gz YHRTYPUZVSGDRY-SECBINFHSA-N 2 2 306.374 -1.560 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624042292 373664660 /nfs/dbraw/zinc/66/46/60/373664660.db2.gz YHRTYPUZVSGDRY-SECBINFHSA-N 2 2 306.374 -1.560 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627359057 373671785 /nfs/dbraw/zinc/67/17/85/373671785.db2.gz YPVQJNSUSSZLCH-GFCCVEGCSA-N 2 2 316.402 -1.695 20 0 DAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627390472 373673146 /nfs/dbraw/zinc/67/31/46/373673146.db2.gz NAOLMSRTQSASIE-GFCCVEGCSA-N 2 2 314.386 -2.071 20 0 DAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475663 373684099 /nfs/dbraw/zinc/68/40/99/373684099.db2.gz RRDVWTUGGPQBPA-RYUDHWBXSA-N 2 2 314.386 -2.072 20 0 DAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475663 373684103 /nfs/dbraw/zinc/68/41/03/373684103.db2.gz RRDVWTUGGPQBPA-RYUDHWBXSA-N 2 2 314.386 -2.072 20 0 DAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)CC2 ZINC000627475127 373684985 /nfs/dbraw/zinc/68/49/85/373684985.db2.gz FTPXFRZKUPMHSU-LLVKDONJSA-N 2 2 307.354 -1.362 20 0 DAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627503230 373686833 /nfs/dbraw/zinc/68/68/33/373686833.db2.gz DUDDIZJGAMUJDO-RWMBFGLXSA-N 2 2 310.398 -1.214 20 0 DAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000627504185 373688474 /nfs/dbraw/zinc/68/84/74/373688474.db2.gz AULXLRCJNRRRLA-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627504240 373688938 /nfs/dbraw/zinc/68/89/38/373688938.db2.gz DKIHIPJAUUELMR-GFCCVEGCSA-N 2 2 320.397 -1.458 20 0 DAADLP CCOCC[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631919581 373701236 /nfs/dbraw/zinc/70/12/36/373701236.db2.gz WGPAFFXKMRHGHP-CYBMUJFWSA-N 2 2 321.443 -1.041 20 0 DAADLP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632135945 373706998 /nfs/dbraw/zinc/70/69/98/373706998.db2.gz HTIRRLNYACKLOU-NWDGAFQWSA-N 2 2 309.432 -1.451 20 0 DAADLP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632135945 373707013 /nfs/dbraw/zinc/70/70/13/373707013.db2.gz HTIRRLNYACKLOU-NWDGAFQWSA-N 2 2 309.432 -1.451 20 0 DAADLP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632135944 373708107 /nfs/dbraw/zinc/70/81/07/373708107.db2.gz HTIRRLNYACKLOU-NEPJUHHUSA-N 2 2 309.432 -1.451 20 0 DAADLP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632135944 373708113 /nfs/dbraw/zinc/70/81/13/373708113.db2.gz HTIRRLNYACKLOU-NEPJUHHUSA-N 2 2 309.432 -1.451 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633100595 373728589 /nfs/dbraw/zinc/72/85/89/373728589.db2.gz HIYIAAOBSOMRDJ-AVGNSLFASA-N 2 2 310.398 -1.262 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000633110370 373730644 /nfs/dbraw/zinc/73/06/44/373730644.db2.gz IOSRBOVQEAEKGT-MCIONIFRSA-N 2 2 324.425 -1.027 20 0 DAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000420335099 269708280 /nfs/dbraw/zinc/70/82/80/269708280.db2.gz PAXAVTYAWOAMHQ-UHFFFAOYSA-N 2 2 311.430 -1.360 20 0 DAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000420335099 269708282 /nfs/dbraw/zinc/70/82/82/269708282.db2.gz PAXAVTYAWOAMHQ-UHFFFAOYSA-N 2 2 311.430 -1.360 20 0 DAADLP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847793 781983896 /nfs/dbraw/zinc/98/38/96/781983896.db2.gz STSWKRLFALPBFI-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192847793 781983906 /nfs/dbraw/zinc/98/39/06/781983906.db2.gz STSWKRLFALPBFI-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000340255668 131281888 /nfs/dbraw/zinc/28/18/88/131281888.db2.gz KFXDLRYCXJEERD-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000353506917 131318996 /nfs/dbraw/zinc/31/89/96/131318996.db2.gz FCETUWKIGWDXHM-VXGBXAGGSA-N 2 2 314.386 -1.991 20 0 DAADLP C[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000120666592 132149821 /nfs/dbraw/zinc/14/98/21/132149821.db2.gz NEQHOQVCFACGDR-ZDUSSCGKSA-N 2 2 312.414 -1.155 20 0 DAADLP C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000121609943 132157063 /nfs/dbraw/zinc/15/70/63/132157063.db2.gz VTHIFTMGFDQOBI-ZDUSSCGKSA-N 2 2 312.414 -1.107 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653122101 409328043 /nfs/dbraw/zinc/32/80/43/409328043.db2.gz LRVVHDIYNUDPCB-NHYWBVRUSA-N 2 2 310.398 -1.370 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000652694035 409370403 /nfs/dbraw/zinc/37/04/03/409370403.db2.gz MMJCSYCMONBGCX-UHFFFAOYSA-N 2 2 316.402 -1.741 20 0 DAADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652356784 409382488 /nfs/dbraw/zinc/38/24/88/409382488.db2.gz HJNQEZVCHDMBFI-IJLUTSLNSA-N 2 2 300.403 -1.125 20 0 DAADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652356784 409382491 /nfs/dbraw/zinc/38/24/91/409382491.db2.gz HJNQEZVCHDMBFI-IJLUTSLNSA-N 2 2 300.403 -1.125 20 0 DAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636746305 409385389 /nfs/dbraw/zinc/38/53/89/409385389.db2.gz GPNRJIZTIWPAGC-KBPBESRZSA-N 2 2 313.446 -1.012 20 0 DAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636746305 409385393 /nfs/dbraw/zinc/38/53/93/409385393.db2.gz GPNRJIZTIWPAGC-KBPBESRZSA-N 2 2 313.446 -1.012 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337476270 409388799 /nfs/dbraw/zinc/38/87/99/409388799.db2.gz YNNWGMVQHDGZCC-CQSZACIVSA-N 2 2 302.419 -1.128 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337476270 409388804 /nfs/dbraw/zinc/38/88/04/409388804.db2.gz YNNWGMVQHDGZCC-CQSZACIVSA-N 2 2 302.419 -1.128 20 0 DAADLP COC(=O)[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000411901280 409398275 /nfs/dbraw/zinc/39/82/75/409398275.db2.gz GFPYNYSRQCOPBV-CYBMUJFWSA-N 2 2 312.414 -1.203 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829753 409398798 /nfs/dbraw/zinc/39/87/98/409398798.db2.gz UTJMSTUHNMMWLT-IUCAKERBSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829753 409398802 /nfs/dbraw/zinc/39/88/02/409398802.db2.gz UTJMSTUHNMMWLT-IUCAKERBSA-N 2 2 309.370 -1.482 20 0 DAADLP O=C(CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000655445909 409340381 /nfs/dbraw/zinc/34/03/81/409340381.db2.gz RWXODRYNKKSCFY-BBRMVZONSA-N 2 2 324.425 -1.059 20 0 DAADLP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000155210799 409342979 /nfs/dbraw/zinc/34/29/79/409342979.db2.gz PULOZHSXGMOQJD-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@H](C[NH3+])C1 ZINC000647873462 409401773 /nfs/dbraw/zinc/40/17/73/409401773.db2.gz MPNABCHFODRULS-LLVKDONJSA-N 2 2 319.431 -1.997 20 0 DAADLP C[N@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@H](C[NH3+])C1 ZINC000647873462 409401775 /nfs/dbraw/zinc/40/17/75/409401775.db2.gz MPNABCHFODRULS-LLVKDONJSA-N 2 2 319.431 -1.997 20 0 DAADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C[NH+]1CCOCC1 ZINC000638091184 409403714 /nfs/dbraw/zinc/40/37/14/409403714.db2.gz REIPVCFBTVNBPM-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330542263 409420658 /nfs/dbraw/zinc/42/06/58/409420658.db2.gz AIHWERKGISAIBK-RDBSUJKOSA-N 2 2 315.414 -1.143 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330542263 409420666 /nfs/dbraw/zinc/42/06/66/409420666.db2.gz AIHWERKGISAIBK-RDBSUJKOSA-N 2 2 315.414 -1.143 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000346154620 409441041 /nfs/dbraw/zinc/44/10/41/409441041.db2.gz REBXSPHEIHOMRH-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000346154620 409441053 /nfs/dbraw/zinc/44/10/53/409441053.db2.gz REBXSPHEIHOMRH-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](O)C[N@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000351924705 409461394 /nfs/dbraw/zinc/46/13/94/409461394.db2.gz HSDBXCWCCFBVAI-ZDUSSCGKSA-N 2 2 317.430 -1.112 20 0 DAADLP C[C@H](O)C[N@@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000351924705 409461403 /nfs/dbraw/zinc/46/14/03/409461403.db2.gz HSDBXCWCCFBVAI-ZDUSSCGKSA-N 2 2 317.430 -1.112 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347907255 409449444 /nfs/dbraw/zinc/44/94/44/409449444.db2.gz XOSSJGPMDMQDJB-UHFFFAOYSA-N 2 2 300.403 -1.109 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347907255 409449447 /nfs/dbraw/zinc/44/94/47/409449447.db2.gz XOSSJGPMDMQDJB-UHFFFAOYSA-N 2 2 300.403 -1.109 20 0 DAADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1C ZINC000332335605 409461772 /nfs/dbraw/zinc/46/17/72/409461772.db2.gz OPJMHVNRDNXVET-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H]1C ZINC000332335605 409461778 /nfs/dbraw/zinc/46/17/78/409461778.db2.gz OPJMHVNRDNXVET-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000332715225 409464868 /nfs/dbraw/zinc/46/48/68/409464868.db2.gz VUZNSOADRDJPSK-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000353469052 409474423 /nfs/dbraw/zinc/47/44/23/409474423.db2.gz PDCZDSYDCDJDGS-STQMWFEESA-N 2 2 312.414 -1.061 20 0 DAADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353204721 409474495 /nfs/dbraw/zinc/47/44/95/409474495.db2.gz NLXXALMEMGXGKI-VHSXEESVSA-N 2 2 300.359 -1.715 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000355272480 409483401 /nfs/dbraw/zinc/48/34/01/409483401.db2.gz VIEFUOXSJLIIHW-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000355272480 409483406 /nfs/dbraw/zinc/48/34/06/409483406.db2.gz VIEFUOXSJLIIHW-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000355272486 409484169 /nfs/dbraw/zinc/48/41/69/409484169.db2.gz VIEFUOXSJLIIHW-ZIAGYGMSSA-N 2 2 315.414 -1.141 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000355272486 409484172 /nfs/dbraw/zinc/48/41/72/409484172.db2.gz VIEFUOXSJLIIHW-ZIAGYGMSSA-N 2 2 315.414 -1.141 20 0 DAADLP [NH3+]C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000429046598 409564747 /nfs/dbraw/zinc/56/47/47/409564747.db2.gz NAVJOFRIQOWMGQ-KGLIPLIRSA-N 2 2 324.425 -1.026 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431016439 409567258 /nfs/dbraw/zinc/56/72/58/409567258.db2.gz JUHIENRNWBGRCV-ZDUSSCGKSA-N 2 2 310.398 -1.401 20 0 DAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000361452132 409510193 /nfs/dbraw/zinc/51/01/93/409510193.db2.gz MHWXPNFSABTWHE-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000361452132 409510195 /nfs/dbraw/zinc/51/01/95/409510195.db2.gz MHWXPNFSABTWHE-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000361452132 409510197 /nfs/dbraw/zinc/51/01/97/409510197.db2.gz MHWXPNFSABTWHE-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000361452132 409510198 /nfs/dbraw/zinc/51/01/98/409510198.db2.gz MHWXPNFSABTWHE-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000361816298 409510335 /nfs/dbraw/zinc/51/03/35/409510335.db2.gz TXZGSZRSUIRFDW-CYBMUJFWSA-N 2 2 321.443 -1.305 20 0 DAADLP C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000361816298 409510337 /nfs/dbraw/zinc/51/03/37/409510337.db2.gz TXZGSZRSUIRFDW-CYBMUJFWSA-N 2 2 321.443 -1.305 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000370685719 409511921 /nfs/dbraw/zinc/51/19/21/409511921.db2.gz HPZKGKJCQDTARX-GFCCVEGCSA-N 2 2 323.397 -1.223 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000370685719 409511925 /nfs/dbraw/zinc/51/19/25/409511925.db2.gz HPZKGKJCQDTARX-GFCCVEGCSA-N 2 2 323.397 -1.223 20 0 DAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430749339 409568595 /nfs/dbraw/zinc/56/85/95/409568595.db2.gz VBHKLWGBFOTJKU-LLVKDONJSA-N 2 2 310.398 -1.214 20 0 DAADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431063212 409568882 /nfs/dbraw/zinc/56/88/82/409568882.db2.gz YSHZXDXWYJQNHU-YPMHNXCESA-N 2 2 300.403 -1.076 20 0 DAADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000419997021 409537336 /nfs/dbraw/zinc/53/73/36/409537336.db2.gz LHOWNOKCCFYMNM-NWDGAFQWSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000419997021 409537343 /nfs/dbraw/zinc/53/73/43/409537343.db2.gz LHOWNOKCCFYMNM-NWDGAFQWSA-N 2 2 300.403 -1.077 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409295 409537686 /nfs/dbraw/zinc/53/76/86/409537686.db2.gz QKMTUBFUTSPNAA-VHSXEESVSA-N 2 2 323.397 -1.234 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409295 409537696 /nfs/dbraw/zinc/53/76/96/409537696.db2.gz QKMTUBFUTSPNAA-VHSXEESVSA-N 2 2 323.397 -1.234 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420156123 409540023 /nfs/dbraw/zinc/54/00/23/409540023.db2.gz VDLKJXNQOPGOCD-SECBINFHSA-N 2 2 308.329 -1.467 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420156123 409540028 /nfs/dbraw/zinc/54/00/28/409540028.db2.gz VDLKJXNQOPGOCD-SECBINFHSA-N 2 2 308.329 -1.467 20 0 DAADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000419938426 409540670 /nfs/dbraw/zinc/54/06/70/409540670.db2.gz HQZQODMKIJYKPA-NSHDSACASA-N 2 2 300.403 -1.076 20 0 DAADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000419938426 409540679 /nfs/dbraw/zinc/54/06/79/409540679.db2.gz HQZQODMKIJYKPA-NSHDSACASA-N 2 2 300.403 -1.076 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423056513 409543250 /nfs/dbraw/zinc/54/32/50/409543250.db2.gz GBOIHODOVDZAPR-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569734 409639871 /nfs/dbraw/zinc/63/98/71/409639871.db2.gz WXTCEOTYSWXGQG-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569734 409639876 /nfs/dbraw/zinc/63/98/76/409639876.db2.gz WXTCEOTYSWXGQG-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000646003184 409603274 /nfs/dbraw/zinc/60/32/74/409603274.db2.gz VUAYBMLNDKXQSW-CQSZACIVSA-N 2 2 323.441 -1.343 20 0 DAADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000646003184 409603281 /nfs/dbraw/zinc/60/32/81/409603281.db2.gz VUAYBMLNDKXQSW-CQSZACIVSA-N 2 2 323.441 -1.343 20 0 DAADLP Cn1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574416 409609546 /nfs/dbraw/zinc/60/95/46/409609546.db2.gz APOLROQZTCYEOT-ZYOFXKKJSA-N 2 2 321.381 -1.802 20 0 DAADLP Cn1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000493574416 409609550 /nfs/dbraw/zinc/60/95/50/409609550.db2.gz APOLROQZTCYEOT-ZYOFXKKJSA-N 2 2 321.381 -1.802 20 0 DAADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659713641 409693667 /nfs/dbraw/zinc/69/36/67/409693667.db2.gz GUGILYZUOODURC-OLZOCXBDSA-N 2 2 310.398 -1.227 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000659751273 409698121 /nfs/dbraw/zinc/69/81/21/409698121.db2.gz FXPVXXJYSJSEPF-LLVKDONJSA-N 2 2 300.403 -1.063 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000659751273 409698127 /nfs/dbraw/zinc/69/81/27/409698127.db2.gz FXPVXXJYSJSEPF-LLVKDONJSA-N 2 2 300.403 -1.063 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000659749290 409699190 /nfs/dbraw/zinc/69/91/90/409699190.db2.gz GGVWOCLPXWNEES-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC1(C)CC[NH2+][C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000662696683 409712779 /nfs/dbraw/zinc/71/27/79/409712779.db2.gz QZLYPTHUKPJDGM-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000662427831 409708495 /nfs/dbraw/zinc/70/84/95/409708495.db2.gz CFCBLTCRQUATAR-QWRGUYRKSA-N 2 2 319.431 -1.997 20 0 DAADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000662427831 409708503 /nfs/dbraw/zinc/70/85/03/409708503.db2.gz CFCBLTCRQUATAR-QWRGUYRKSA-N 2 2 319.431 -1.997 20 0 DAADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288468 409708807 /nfs/dbraw/zinc/70/88/07/409708807.db2.gz HZQRSKBVVOQGOM-RYUDHWBXSA-N 2 2 309.432 -1.728 20 0 DAADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288468 409708814 /nfs/dbraw/zinc/70/88/14/409708814.db2.gz HZQRSKBVVOQGOM-RYUDHWBXSA-N 2 2 309.432 -1.728 20 0 DAADLP C[N@@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@H](C[NH3+])C1 ZINC000662430466 409708987 /nfs/dbraw/zinc/70/89/87/409708987.db2.gz XYUNQCXDJIXDLK-LBPRGKRZSA-N 2 2 323.401 -1.330 20 0 DAADLP C[N@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@H](C[NH3+])C1 ZINC000662430466 409708997 /nfs/dbraw/zinc/70/89/97/409708997.db2.gz XYUNQCXDJIXDLK-LBPRGKRZSA-N 2 2 323.401 -1.330 20 0 DAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662674004 409712954 /nfs/dbraw/zinc/71/29/54/409712954.db2.gz VGCZXPWQAYOFKM-UHFFFAOYSA-N 2 2 312.414 -1.277 20 0 DAADLP CNC(=O)NC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000530230018 409647706 /nfs/dbraw/zinc/64/77/06/409647706.db2.gz CLKCGNADBUWLKA-LBPRGKRZSA-N 2 2 313.402 -1.562 20 0 DAADLP CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000530230018 409647724 /nfs/dbraw/zinc/64/77/24/409647724.db2.gz CLKCGNADBUWLKA-LBPRGKRZSA-N 2 2 313.402 -1.562 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000581487923 409662209 /nfs/dbraw/zinc/66/22/09/409662209.db2.gz YLRTYXSJLJVMHD-UHFFFAOYSA-N 2 2 313.446 -1.146 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000581487923 409662226 /nfs/dbraw/zinc/66/22/26/409662226.db2.gz YLRTYXSJLJVMHD-UHFFFAOYSA-N 2 2 313.446 -1.146 20 0 DAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662674004 409712962 /nfs/dbraw/zinc/71/29/62/409712962.db2.gz VGCZXPWQAYOFKM-UHFFFAOYSA-N 2 2 312.414 -1.277 20 0 DAADLP Cn1nncc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091639 409678506 /nfs/dbraw/zinc/67/85/06/409678506.db2.gz NOQWJWZWLGBFLJ-UHFFFAOYSA-N 2 2 304.420 -1.023 20 0 DAADLP Cn1nncc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091639 409678515 /nfs/dbraw/zinc/67/85/15/409678515.db2.gz NOQWJWZWLGBFLJ-UHFFFAOYSA-N 2 2 304.420 -1.023 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659697447 409691113 /nfs/dbraw/zinc/69/11/13/409691113.db2.gz HDXYKOYTIDSZHH-QJPTWQEYSA-N 2 2 316.377 -1.279 20 0 DAADLP CCOC(=O)Cn1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000594526561 409781237 /nfs/dbraw/zinc/78/12/37/409781237.db2.gz BMPSGKKLMCZLJT-NSHDSACASA-N 2 2 324.385 -0.447 20 0 DAADLP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662955081 409721848 /nfs/dbraw/zinc/72/18/48/409721848.db2.gz OHDNXIZWEQDMOP-CYBMUJFWSA-N 2 2 310.398 -1.259 20 0 DAADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662950303 409722114 /nfs/dbraw/zinc/72/21/14/409722114.db2.gz GPDOJIQWBSZLAH-OLZOCXBDSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662951067 409722198 /nfs/dbraw/zinc/72/21/98/409722198.db2.gz HOAVHXVMOZABLK-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662949133 409722799 /nfs/dbraw/zinc/72/27/99/409722799.db2.gz SPQKXZTVQOMVEX-CHWSQXEVSA-N 2 2 310.398 -1.131 20 0 DAADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662953548 409723062 /nfs/dbraw/zinc/72/30/62/409723062.db2.gz KDTHCVVGFPTYRQ-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662971969 409723395 /nfs/dbraw/zinc/72/33/95/409723395.db2.gz HBIOJMOIGRUXLJ-MFOWVQHXSA-N 2 2 322.409 -1.131 20 0 DAADLP C[C@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[NH2+]CCO1 ZINC000638110761 409749244 /nfs/dbraw/zinc/74/92/44/409749244.db2.gz PMVWEIIWFNCWHE-OAHLLOKOSA-N 2 2 323.397 -0.468 20 0 DAADLP O=C(C[C@H]1COCC[NH2+]1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000357253431 409757413 /nfs/dbraw/zinc/75/74/13/409757413.db2.gz GWTDNXHLFVCRCO-ZDUSSCGKSA-N 2 2 323.397 -0.468 20 0 DAADLP O=C(CN1CC[NH2+]CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000638108778 409759084 /nfs/dbraw/zinc/75/90/84/409759084.db2.gz ATEQMMKTSDKDBM-UHFFFAOYSA-N 2 2 322.413 -0.941 20 0 DAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1C[NH2+]CCO1 ZINC000430723947 409775997 /nfs/dbraw/zinc/77/59/97/409775997.db2.gz UATMYYJFXOUOGV-GFCCVEGCSA-N 2 2 309.370 -0.858 20 0 DAADLP CO[C@H](C[NH3+])CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000447448733 409781170 /nfs/dbraw/zinc/78/11/70/409781170.db2.gz MYBLPPJDORNVBF-LBPRGKRZSA-N 2 2 311.386 -0.482 20 0 DAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662670739 409714664 /nfs/dbraw/zinc/71/46/64/409714664.db2.gz IGJDYCJKYVRNFX-UHFFFAOYSA-N 2 2 317.353 -1.654 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656617 409714774 /nfs/dbraw/zinc/71/47/74/409714774.db2.gz QIKOJMQFUPNDSX-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1(O)C[NH2+]C1 ZINC000662814539 409718793 /nfs/dbraw/zinc/71/87/93/409718793.db2.gz CTDURKJSNLJFSV-UHFFFAOYSA-N 2 2 304.372 -3.234 20 0 DAADLP CCOC(=O)Cn1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000594526561 409781227 /nfs/dbraw/zinc/78/12/27/409781227.db2.gz BMPSGKKLMCZLJT-NSHDSACASA-N 2 2 324.385 -0.447 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193756898 782015878 /nfs/dbraw/zinc/01/58/78/782015878.db2.gz VHEIXZJJNMVMFZ-JHJVBQTASA-N 2 2 311.386 -2.033 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193756898 782015887 /nfs/dbraw/zinc/01/58/87/782015887.db2.gz VHEIXZJJNMVMFZ-JHJVBQTASA-N 2 2 311.386 -2.033 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782359 782014571 /nfs/dbraw/zinc/01/45/71/782014571.db2.gz XUYLMHNHOWDOJN-YRGRVCCFSA-N 2 2 312.414 -1.424 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782359 782014579 /nfs/dbraw/zinc/01/45/79/782014579.db2.gz XUYLMHNHOWDOJN-YRGRVCCFSA-N 2 2 312.414 -1.424 20 0 DAADLP COCC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000678514702 545877538 /nfs/dbraw/zinc/87/75/38/545877538.db2.gz QEVJRSXSKLKKFD-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685336199 545893088 /nfs/dbraw/zinc/89/30/88/545893088.db2.gz LZQQBBPGEMPSAQ-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336199 545893091 /nfs/dbraw/zinc/89/30/91/545893091.db2.gz LZQQBBPGEMPSAQ-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001194026969 782025963 /nfs/dbraw/zinc/02/59/63/782025963.db2.gz NHMUUFGMUJVJIT-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001194026969 782025969 /nfs/dbraw/zinc/02/59/69/782025969.db2.gz NHMUUFGMUJVJIT-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054693 782026314 /nfs/dbraw/zinc/02/63/14/782026314.db2.gz UBXNZFHJDRZDRC-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054693 782026318 /nfs/dbraw/zinc/02/63/18/782026318.db2.gz UBXNZFHJDRZDRC-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001194054693 782026324 /nfs/dbraw/zinc/02/63/24/782026324.db2.gz UBXNZFHJDRZDRC-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001194054693 782026327 /nfs/dbraw/zinc/02/63/27/782026327.db2.gz UBXNZFHJDRZDRC-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001194086155 782027310 /nfs/dbraw/zinc/02/73/10/782027310.db2.gz RCTHWDSIFCEBNQ-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)[NH+](C)C ZINC001194086155 782027317 /nfs/dbraw/zinc/02/73/17/782027317.db2.gz RCTHWDSIFCEBNQ-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000332718126 262519917 /nfs/dbraw/zinc/51/99/17/262519917.db2.gz WMMUMXSECYHPPT-CQSZACIVSA-N 2 2 323.441 -1.343 20 0 DAADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000357241870 262575885 /nfs/dbraw/zinc/57/58/85/262575885.db2.gz ODROOUMAGSRZAY-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000357109298 262576103 /nfs/dbraw/zinc/57/61/03/262576103.db2.gz VPHXOUUAKMBCNX-UHFFFAOYSA-N 2 2 322.431 -1.844 20 0 DAADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000342765184 263217769 /nfs/dbraw/zinc/21/77/69/263217769.db2.gz MOJGHIAZEHSNGN-CHWSQXEVSA-N 2 2 312.414 -1.061 20 0 DAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000262281287 263225298 /nfs/dbraw/zinc/22/52/98/263225298.db2.gz NWVDJOMXDSZEMO-YPMHNXCESA-N 2 2 314.386 -2.072 20 0 DAADLP CC(C)Nc1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(NCCO)[nH+]1 ZINC000420253381 263230785 /nfs/dbraw/zinc/23/07/85/263230785.db2.gz DLRNCFSPSYSABA-RYUDHWBXSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420253381 263230789 /nfs/dbraw/zinc/23/07/89/263230789.db2.gz DLRNCFSPSYSABA-RYUDHWBXSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000420253381 263230791 /nfs/dbraw/zinc/23/07/91/263230791.db2.gz DLRNCFSPSYSABA-RYUDHWBXSA-N 2 2 321.429 -1.014 20 0 DAADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000521620677 263235346 /nfs/dbraw/zinc/23/53/46/263235346.db2.gz PYEIMHZELFCEJC-MNOVXSKESA-N 2 2 315.370 -1.027 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000408088564 263236644 /nfs/dbraw/zinc/23/66/44/263236644.db2.gz KADQKLQDFXHFMY-NSHDSACASA-N 2 2 304.416 -1.487 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000408088564 263236645 /nfs/dbraw/zinc/23/66/45/263236645.db2.gz KADQKLQDFXHFMY-NSHDSACASA-N 2 2 304.416 -1.487 20 0 DAADLP Cn1c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000262527479 263238923 /nfs/dbraw/zinc/23/89/23/263238923.db2.gz PCPMXJRWXCTRMM-GFCCVEGCSA-N 2 2 307.398 -1.437 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000459803039 263242025 /nfs/dbraw/zinc/24/20/25/263242025.db2.gz BMYVGOIREILRIH-ZDUSSCGKSA-N 2 2 312.414 -1.325 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C(N)=O)CC2)CC1 ZINC000408010751 263242041 /nfs/dbraw/zinc/24/20/41/263242041.db2.gz PXMAQROEKBGJBB-LBPRGKRZSA-N 2 2 312.414 -1.149 20 0 DAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342134233 263243048 /nfs/dbraw/zinc/24/30/48/263243048.db2.gz PNJRYZUALHNHQM-GFCCVEGCSA-N 2 2 310.398 -1.403 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623207 263244701 /nfs/dbraw/zinc/24/47/01/263244701.db2.gz BNAZLQKVHKNZBJ-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423681651 263246033 /nfs/dbraw/zinc/24/60/33/263246033.db2.gz OGSVCRSJCMNQMF-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623208 263246381 /nfs/dbraw/zinc/24/63/81/263246381.db2.gz BNAZLQKVHKNZBJ-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP O=C(CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000444182666 263247174 /nfs/dbraw/zinc/24/71/74/263247174.db2.gz LKTOIHHQTOKRLT-SWLSCSKDSA-N 2 2 310.398 -1.449 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423059858 263249748 /nfs/dbraw/zinc/24/97/48/263249748.db2.gz MYHIEYFAZHHFNR-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[NH3+])[C@@H](C)C1 ZINC000419815392 263251204 /nfs/dbraw/zinc/25/12/04/263251204.db2.gz JEWIVLWSCWGRTH-JTQLQIEISA-N 2 2 300.359 -1.843 20 0 DAADLP CC(=O)NC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429673933 263255922 /nfs/dbraw/zinc/25/59/22/263255922.db2.gz BQCFAGWLNRCUPJ-AWEZNQCLSA-N 2 2 312.414 -1.013 20 0 DAADLP O=C([C@@H]1COCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040100 263257068 /nfs/dbraw/zinc/25/70/68/263257068.db2.gz LAQDSHLJOCNHLR-NSHDSACASA-N 2 2 318.399 -2.579 20 0 DAADLP O=C(CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000436306456 263257980 /nfs/dbraw/zinc/25/79/80/263257980.db2.gz ILJGGZJQCVLWFC-CZUORRHYSA-N 2 2 324.425 -1.059 20 0 DAADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000419977706 263265911 /nfs/dbraw/zinc/26/59/11/263265911.db2.gz NALFLLPXDPILNQ-GFCCVEGCSA-N 2 2 300.403 -1.251 20 0 DAADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423624789 263269664 /nfs/dbraw/zinc/26/96/64/263269664.db2.gz DPFRINLIJWGIEW-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000419938273 263276583 /nfs/dbraw/zinc/27/65/83/263276583.db2.gz HQZQODMKIJYKPA-LLVKDONJSA-N 2 2 300.403 -1.076 20 0 DAADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000419938273 263276584 /nfs/dbraw/zinc/27/65/84/263276584.db2.gz HQZQODMKIJYKPA-LLVKDONJSA-N 2 2 300.403 -1.076 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331208096 263278300 /nfs/dbraw/zinc/27/83/00/263278300.db2.gz FOZWJVSXSCBPPU-TZMCWYRMSA-N 2 2 301.387 -1.484 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331208096 263278302 /nfs/dbraw/zinc/27/83/02/263278302.db2.gz FOZWJVSXSCBPPU-TZMCWYRMSA-N 2 2 301.387 -1.484 20 0 DAADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803981 263283848 /nfs/dbraw/zinc/28/38/48/263283848.db2.gz RWOOTGCHZNAYMY-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000358163892 263284925 /nfs/dbraw/zinc/28/49/25/263284925.db2.gz HOZQHXHEFDAEBF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000358163892 263284928 /nfs/dbraw/zinc/28/49/28/263284928.db2.gz HOZQHXHEFDAEBF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000358163892 263284930 /nfs/dbraw/zinc/28/49/30/263284930.db2.gz HOZQHXHEFDAEBF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000358163892 263284932 /nfs/dbraw/zinc/28/49/32/263284932.db2.gz HOZQHXHEFDAEBF-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531204204 263296259 /nfs/dbraw/zinc/29/62/59/263296259.db2.gz FYNNCLDMIXAJDH-QWRGUYRKSA-N 2 2 309.370 -1.615 20 0 DAADLP C[C@H]1CN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261986934 263296964 /nfs/dbraw/zinc/29/69/64/263296964.db2.gz SHMPMZOFEOMEBP-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]1CN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261986934 263296965 /nfs/dbraw/zinc/29/69/65/263296965.db2.gz SHMPMZOFEOMEBP-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000423592484 263301703 /nfs/dbraw/zinc/30/17/03/263301703.db2.gz KTTOSWNNYJTIIW-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332674534 263306388 /nfs/dbraw/zinc/30/63/88/263306388.db2.gz RCWAHIIEEIUTJE-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@@H]1C ZINC000423898696 263307280 /nfs/dbraw/zinc/30/72/80/263307280.db2.gz PZLYKZRYUYDDPI-QWRGUYRKSA-N 2 2 315.370 -1.027 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@@H]1C ZINC000423898696 263307282 /nfs/dbraw/zinc/30/72/82/263307282.db2.gz PZLYKZRYUYDDPI-QWRGUYRKSA-N 2 2 315.370 -1.027 20 0 DAADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[NH2+]C1 ZINC000262409612 263308044 /nfs/dbraw/zinc/30/80/44/263308044.db2.gz QLGGWELXNSHNSJ-TZMCWYRMSA-N 2 2 324.425 -1.109 20 0 DAADLP CC[N@H+](CCO)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000345937209 263310701 /nfs/dbraw/zinc/31/07/01/263310701.db2.gz FBSNBKYSUBPXPC-UHFFFAOYSA-N 2 2 323.459 -1.058 20 0 DAADLP CC[N@@H+](CCO)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000345937209 263310703 /nfs/dbraw/zinc/31/07/03/263310703.db2.gz FBSNBKYSUBPXPC-UHFFFAOYSA-N 2 2 323.459 -1.058 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332727900 263313264 /nfs/dbraw/zinc/31/32/64/263313264.db2.gz YYSSQZYDIQHQSQ-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423762026 263313290 /nfs/dbraw/zinc/31/32/90/263313290.db2.gz RUWQEAXABXCVRZ-GFCCVEGCSA-N 2 2 315.370 -1.691 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000263252177 263316048 /nfs/dbraw/zinc/31/60/48/263316048.db2.gz PJRLSNGTKOYHPH-JSGCOSHPSA-N 2 2 313.446 -1.162 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000332444351 263320904 /nfs/dbraw/zinc/32/09/04/263320904.db2.gz BUIKWLPYUHCJMU-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000124328304 263322022 /nfs/dbraw/zinc/32/20/22/263322022.db2.gz AVSURQJHYLDZQM-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000372913898 263324999 /nfs/dbraw/zinc/32/49/99/263324999.db2.gz UZVSIDGLBPNFBL-MELADBBJSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461159 782038482 /nfs/dbraw/zinc/03/84/82/782038482.db2.gz WIFCJWPTDDOQLX-WDEREUQCSA-N 2 2 322.369 -1.001 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461159 782038493 /nfs/dbraw/zinc/03/84/93/782038493.db2.gz WIFCJWPTDDOQLX-WDEREUQCSA-N 2 2 322.369 -1.001 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677822 782074234 /nfs/dbraw/zinc/07/42/34/782074234.db2.gz UUXCTICCTRFSPK-QJPTWQEYSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677822 782074237 /nfs/dbraw/zinc/07/42/37/782074237.db2.gz UUXCTICCTRFSPK-QJPTWQEYSA-N 2 2 312.414 -1.376 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676635 782075097 /nfs/dbraw/zinc/07/50/97/782075097.db2.gz HNZUVAPFLVENIP-GRYCIOLGSA-N 2 2 312.414 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676635 782075106 /nfs/dbraw/zinc/07/51/06/782075106.db2.gz HNZUVAPFLVENIP-GRYCIOLGSA-N 2 2 312.414 -1.247 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001195860392 782084242 /nfs/dbraw/zinc/08/42/42/782084242.db2.gz WZBZHHULRYZRNN-OUAUKWLOSA-N 2 2 312.370 -2.095 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001195860392 782084258 /nfs/dbraw/zinc/08/42/58/782084258.db2.gz WZBZHHULRYZRNN-OUAUKWLOSA-N 2 2 312.370 -2.095 20 0 DAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001195973164 782088738 /nfs/dbraw/zinc/08/87/38/782088738.db2.gz OUOPTNPPRLZKRA-YRGRVCCFSA-N 2 2 314.430 -1.178 20 0 DAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001195973164 782088750 /nfs/dbraw/zinc/08/87/50/782088750.db2.gz OUOPTNPPRLZKRA-YRGRVCCFSA-N 2 2 314.430 -1.178 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196169267 782095137 /nfs/dbraw/zinc/09/51/37/782095137.db2.gz PXKKZWCRKWIZEB-BFHYXJOUSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001196169267 782095121 /nfs/dbraw/zinc/09/51/21/782095121.db2.gz PXKKZWCRKWIZEB-BFHYXJOUSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001196169267 782095129 /nfs/dbraw/zinc/09/51/29/782095129.db2.gz PXKKZWCRKWIZEB-BFHYXJOUSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196169267 782095145 /nfs/dbraw/zinc/09/51/45/782095145.db2.gz PXKKZWCRKWIZEB-BFHYXJOUSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000569364694 332057989 /nfs/dbraw/zinc/05/79/89/332057989.db2.gz RQDLACRUMRNFSP-NXEZZACHSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000569364694 332057992 /nfs/dbraw/zinc/05/79/92/332057992.db2.gz RQDLACRUMRNFSP-NXEZZACHSA-N 2 2 323.397 -1.092 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531204200 333330892 /nfs/dbraw/zinc/33/08/92/333330892.db2.gz FYNNCLDMIXAJDH-GHMZBOCLSA-N 2 2 309.370 -1.615 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531204200 333330893 /nfs/dbraw/zinc/33/08/93/333330893.db2.gz FYNNCLDMIXAJDH-GHMZBOCLSA-N 2 2 309.370 -1.615 20 0 DAADLP O=C(CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[NH2+]CC1 ZINC000563150903 333398237 /nfs/dbraw/zinc/39/82/37/333398237.db2.gz CLTUJGCBQXIMDB-AWEZNQCLSA-N 3 2 323.441 -1.296 20 0 DAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(CCC[NH3+])CC2)CC1 ZINC000414746710 334082331 /nfs/dbraw/zinc/08/23/31/334082331.db2.gz LZHSDJVUOMIZFA-UHFFFAOYSA-N 2 2 305.448 -1.555 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000535024304 334356558 /nfs/dbraw/zinc/35/65/58/334356558.db2.gz AYOCITQCIHVGBG-RYUDHWBXSA-N 2 2 308.382 -1.018 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000535024304 334356560 /nfs/dbraw/zinc/35/65/60/334356560.db2.gz AYOCITQCIHVGBG-RYUDHWBXSA-N 2 2 308.382 -1.018 20 0 DAADLP CC1CC[NH+](C[C@H](O)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000582179200 335733375 /nfs/dbraw/zinc/73/33/75/335733375.db2.gz PLWBYOVWNWRPHH-CYBMUJFWSA-N 2 2 312.414 -1.373 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1O)[NH+](C)C ZINC001196207633 782097162 /nfs/dbraw/zinc/09/71/62/782097162.db2.gz SCYSFXOTBHBARS-FRRDWIJNSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1O)[NH+](C)C ZINC001196207633 782097170 /nfs/dbraw/zinc/09/71/70/782097170.db2.gz SCYSFXOTBHBARS-FRRDWIJNSA-N 2 2 314.430 -1.034 20 0 DAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000583015071 337229244 /nfs/dbraw/zinc/22/92/44/337229244.db2.gz MPMAGPXEFODICU-UHFFFAOYSA-N 2 2 314.386 -2.120 20 0 DAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477561 337347809 /nfs/dbraw/zinc/34/78/09/337347809.db2.gz LOUQLXDQASFURU-NEPJUHHUSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477561 337347806 /nfs/dbraw/zinc/34/78/06/337347806.db2.gz LOUQLXDQASFURU-NEPJUHHUSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477561 337347807 /nfs/dbraw/zinc/34/78/07/337347807.db2.gz LOUQLXDQASFURU-NEPJUHHUSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477561 337347808 /nfs/dbraw/zinc/34/78/08/337347808.db2.gz LOUQLXDQASFURU-NEPJUHHUSA-N 2 2 308.448 -1.196 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423039679 337696603 /nfs/dbraw/zinc/69/66/03/337696603.db2.gz QXVMOHUJPUCBPK-BETUJISGSA-N 2 2 312.414 -1.014 20 0 DAADLP CC(C)[NH2+]CCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000166085357 341715824 /nfs/dbraw/zinc/71/58/24/341715824.db2.gz XDOFFQHBNJIPPJ-UHFFFAOYSA-N 2 2 300.403 -1.061 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197782940 782140578 /nfs/dbraw/zinc/14/05/78/782140578.db2.gz LEGLOEVYHQXPCH-GRYCIOLGSA-N 2 2 314.386 -2.386 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197782940 782140579 /nfs/dbraw/zinc/14/05/79/782140579.db2.gz LEGLOEVYHQXPCH-GRYCIOLGSA-N 2 2 314.386 -2.386 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826191 782142234 /nfs/dbraw/zinc/14/22/34/782142234.db2.gz PREBMIUKMYEQEN-QJPTWQEYSA-N 2 2 316.402 -2.140 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826191 782142242 /nfs/dbraw/zinc/14/22/42/782142242.db2.gz PREBMIUKMYEQEN-QJPTWQEYSA-N 2 2 316.402 -2.140 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001198020941 782145922 /nfs/dbraw/zinc/14/59/22/782145922.db2.gz UAQROEDSUGUEIA-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001198020941 782145925 /nfs/dbraw/zinc/14/59/25/782145925.db2.gz UAQROEDSUGUEIA-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001198020941 782145930 /nfs/dbraw/zinc/14/59/30/782145930.db2.gz UAQROEDSUGUEIA-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001198020941 782145936 /nfs/dbraw/zinc/14/59/36/782145936.db2.gz UAQROEDSUGUEIA-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001198028883 782146545 /nfs/dbraw/zinc/14/65/45/782146545.db2.gz LAXMLLOUIGQOKJ-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001198028883 782146552 /nfs/dbraw/zinc/14/65/52/782146552.db2.gz LAXMLLOUIGQOKJ-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001198028883 782146559 /nfs/dbraw/zinc/14/65/59/782146559.db2.gz LAXMLLOUIGQOKJ-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001198028883 782146563 /nfs/dbraw/zinc/14/65/63/782146563.db2.gz LAXMLLOUIGQOKJ-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001198046818 782146583 /nfs/dbraw/zinc/14/65/83/782146583.db2.gz FTMNRPQTRPUYMR-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001198046818 782146587 /nfs/dbraw/zinc/14/65/87/782146587.db2.gz FTMNRPQTRPUYMR-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001198046818 782146592 /nfs/dbraw/zinc/14/65/92/782146592.db2.gz FTMNRPQTRPUYMR-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001198046818 782146595 /nfs/dbraw/zinc/14/65/95/782146595.db2.gz FTMNRPQTRPUYMR-QJPTWQEYSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046923 782146759 /nfs/dbraw/zinc/14/67/59/782146759.db2.gz JABPRTLAJUYBGF-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046923 782146765 /nfs/dbraw/zinc/14/67/65/782146765.db2.gz JABPRTLAJUYBGF-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046923 782146772 /nfs/dbraw/zinc/14/67/72/782146772.db2.gz JABPRTLAJUYBGF-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046923 782146776 /nfs/dbraw/zinc/14/67/76/782146776.db2.gz JABPRTLAJUYBGF-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046919 782147238 /nfs/dbraw/zinc/14/72/38/782147238.db2.gz JABPRTLAJUYBGF-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046919 782147245 /nfs/dbraw/zinc/14/72/45/782147245.db2.gz JABPRTLAJUYBGF-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046919 782147251 /nfs/dbraw/zinc/14/72/51/782147251.db2.gz JABPRTLAJUYBGF-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046919 782147260 /nfs/dbraw/zinc/14/72/60/782147260.db2.gz JABPRTLAJUYBGF-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000354511038 521708734 /nfs/dbraw/zinc/70/87/34/521708734.db2.gz OUWKZVXSPQFJIX-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000354511038 521708737 /nfs/dbraw/zinc/70/87/37/521708737.db2.gz OUWKZVXSPQFJIX-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849187 523092993 /nfs/dbraw/zinc/09/29/93/523092993.db2.gz QKGLFIPFHNRYGL-AAEUAGOBSA-N 2 2 320.459 -1.053 20 0 DAADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849187 523093000 /nfs/dbraw/zinc/09/30/00/523093000.db2.gz QKGLFIPFHNRYGL-AAEUAGOBSA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849187 523093007 /nfs/dbraw/zinc/09/30/07/523093007.db2.gz QKGLFIPFHNRYGL-AAEUAGOBSA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849187 523093013 /nfs/dbraw/zinc/09/30/13/523093013.db2.gz QKGLFIPFHNRYGL-AAEUAGOBSA-N 2 2 320.459 -1.053 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001199119774 782168829 /nfs/dbraw/zinc/16/88/29/782168829.db2.gz UQOBZKBFRPEUAW-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199119774 782168834 /nfs/dbraw/zinc/16/88/34/782168834.db2.gz UQOBZKBFRPEUAW-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001199119774 782168842 /nfs/dbraw/zinc/16/88/42/782168842.db2.gz UQOBZKBFRPEUAW-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001199119774 782168822 /nfs/dbraw/zinc/16/88/22/782168822.db2.gz UQOBZKBFRPEUAW-CHWSQXEVSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@H](CO)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000120618896 545642961 /nfs/dbraw/zinc/64/29/61/545642961.db2.gz IQWWVOPQOSFEGG-CYBMUJFWSA-N 2 2 320.459 -1.275 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000120940290 545643291 /nfs/dbraw/zinc/64/32/91/545643291.db2.gz XSLFYXSLLZJWRX-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000120940290 545643296 /nfs/dbraw/zinc/64/32/96/545643296.db2.gz XSLFYXSLLZJWRX-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)CCN2CCOCC2)CC1 ZINC000093178554 545657957 /nfs/dbraw/zinc/65/79/57/545657957.db2.gz WIDTWWRDCRHVNX-UHFFFAOYSA-N 2 2 314.430 -1.613 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)CCN2CCOCC2)CC1 ZINC000093178554 545657961 /nfs/dbraw/zinc/65/79/61/545657961.db2.gz WIDTWWRDCRHVNX-UHFFFAOYSA-N 2 2 314.430 -1.613 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000644564905 545676969 /nfs/dbraw/zinc/67/69/69/545676969.db2.gz UCLSNYQSLDWEES-TUAOUCFPSA-N 2 2 314.386 -1.402 20 0 DAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC000644564905 545676973 /nfs/dbraw/zinc/67/69/73/545676973.db2.gz UCLSNYQSLDWEES-TUAOUCFPSA-N 2 2 314.386 -1.402 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332094377 545729955 /nfs/dbraw/zinc/72/99/55/545729955.db2.gz OQFPJKLADCHYDZ-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332094377 545729960 /nfs/dbraw/zinc/72/99/60/545729960.db2.gz OQFPJKLADCHYDZ-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332094377 545729966 /nfs/dbraw/zinc/72/99/66/545729966.db2.gz OQFPJKLADCHYDZ-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332094377 545729972 /nfs/dbraw/zinc/72/99/72/545729972.db2.gz OQFPJKLADCHYDZ-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362841993 545747432 /nfs/dbraw/zinc/74/74/32/545747432.db2.gz XUFFFLBSQVBSTA-NSHDSACASA-N 2 2 311.386 -1.272 20 0 DAADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362841993 545747439 /nfs/dbraw/zinc/74/74/39/545747439.db2.gz XUFFFLBSQVBSTA-NSHDSACASA-N 2 2 311.386 -1.272 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784208 545747530 /nfs/dbraw/zinc/74/75/30/545747530.db2.gz AOUDGWOASMGLIZ-OLZOCXBDSA-N 2 2 312.414 -1.251 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784208 545747534 /nfs/dbraw/zinc/74/75/34/545747534.db2.gz AOUDGWOASMGLIZ-OLZOCXBDSA-N 2 2 312.414 -1.251 20 0 DAADLP C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000106926630 545761499 /nfs/dbraw/zinc/76/14/99/545761499.db2.gz VZZGQZKPWNAZEO-CYBMUJFWSA-N 2 2 312.414 -1.155 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423681647 545772059 /nfs/dbraw/zinc/77/20/59/545772059.db2.gz OGSVCRSJCMNQMF-AVGNSLFASA-N 2 2 312.414 -1.280 20 0 DAADLP O=C(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000444182667 545781879 /nfs/dbraw/zinc/78/18/79/545781879.db2.gz LKTOIHHQTOKRLT-WFASDCNBSA-N 2 2 310.398 -1.449 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521029832 545803639 /nfs/dbraw/zinc/80/36/39/545803639.db2.gz TYUJRAHVFIEYGN-XQQFMLRXSA-N 2 2 323.459 -1.015 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000521029829 545804358 /nfs/dbraw/zinc/80/43/58/545804358.db2.gz TYUJRAHVFIEYGN-AVGNSLFASA-N 2 2 323.459 -1.015 20 0 DAADLP C[NH+](C)CCN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1=O ZINC000649688562 545805681 /nfs/dbraw/zinc/80/56/81/545805681.db2.gz HEAUGLXZDWWBEP-AWEZNQCLSA-N 2 2 314.430 -1.615 20 0 DAADLP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000670385521 545824857 /nfs/dbraw/zinc/82/48/57/545824857.db2.gz LMPDXKZXNJIEGY-ZIAGYGMSSA-N 2 2 314.430 -1.568 20 0 DAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000662908131 545840706 /nfs/dbraw/zinc/84/07/06/545840706.db2.gz ZEEOJLPRUBJLEP-KBPBESRZSA-N 2 2 323.441 -1.249 20 0 DAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000662908131 545840708 /nfs/dbraw/zinc/84/07/08/545840708.db2.gz ZEEOJLPRUBJLEP-KBPBESRZSA-N 2 2 323.441 -1.249 20 0 DAADLP C[NH+]1CCN(CC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000677444861 545873529 /nfs/dbraw/zinc/87/35/29/545873529.db2.gz NXQXTAMLTYOJEZ-UHFFFAOYSA-N 2 2 314.430 -1.613 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111751 782171130 /nfs/dbraw/zinc/17/11/30/782171130.db2.gz KOFKTVQABIVYCT-GRYCIOLGSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111751 782171139 /nfs/dbraw/zinc/17/11/39/782171139.db2.gz KOFKTVQABIVYCT-GRYCIOLGSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111751 782171144 /nfs/dbraw/zinc/17/11/44/782171144.db2.gz KOFKTVQABIVYCT-GRYCIOLGSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111751 782171149 /nfs/dbraw/zinc/17/11/49/782171149.db2.gz KOFKTVQABIVYCT-GRYCIOLGSA-N 2 2 300.403 -1.248 20 0 DAADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001199359530 782175625 /nfs/dbraw/zinc/17/56/25/782175625.db2.gz OECAJTPSAFOLBD-NSHDSACASA-N 2 2 307.354 -1.591 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@H]2NCN[C@@H]21 ZINC001199371299 782176350 /nfs/dbraw/zinc/17/63/50/782176350.db2.gz QHYGALODLJTOBP-MGPQQGTHSA-N 2 2 317.397 -1.186 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@@H]2NCN[C@@H]21 ZINC001199371298 782176908 /nfs/dbraw/zinc/17/69/08/782176908.db2.gz QHYGALODLJTOBP-MCIONIFRSA-N 2 2 317.397 -1.186 20 0 DAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405488 782178053 /nfs/dbraw/zinc/17/80/53/782178053.db2.gz FWLUJTVCACKACL-CHWSQXEVSA-N 2 2 312.370 -1.293 20 0 DAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405488 782178058 /nfs/dbraw/zinc/17/80/58/782178058.db2.gz FWLUJTVCACKACL-CHWSQXEVSA-N 2 2 312.370 -1.293 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001021126102 662354931 /nfs/dbraw/zinc/35/49/31/662354931.db2.gz FXOMLRIHYDGJGC-MGCOHNPYSA-N 2 2 305.342 -1.258 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970481552 662363283 /nfs/dbraw/zinc/36/32/83/662363283.db2.gz GFFCVCUBKNDINW-PWSUYJOCSA-N 2 2 319.365 -1.042 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970856234 662373015 /nfs/dbraw/zinc/37/30/15/662373015.db2.gz HCFRVXIPEYJNDT-GHMZBOCLSA-N 2 2 305.338 -1.121 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000970857824 662373072 /nfs/dbraw/zinc/37/30/72/662373072.db2.gz LIWPHRKAVAKJCW-CYBMUJFWSA-N 2 2 321.381 -1.068 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000970858105 662373151 /nfs/dbraw/zinc/37/31/51/662373151.db2.gz PSHGJMKDBIIQDL-LLVKDONJSA-N 2 2 320.353 -1.375 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970951544 662376258 /nfs/dbraw/zinc/37/62/58/662376258.db2.gz USXOGBHTJWRORF-AGIUHOORSA-N 2 2 321.381 -1.266 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970951544 662376263 /nfs/dbraw/zinc/37/62/63/662376263.db2.gz USXOGBHTJWRORF-AGIUHOORSA-N 2 2 321.381 -1.266 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926405652 662404074 /nfs/dbraw/zinc/40/40/74/662404074.db2.gz HTNQJJGNOJIJDX-MELADBBJSA-N 2 2 324.425 -1.278 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001023158758 662435072 /nfs/dbraw/zinc/43/50/72/662435072.db2.gz FXOMLRIHYDGJGC-AOOOYVTPSA-N 2 2 305.342 -1.258 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001023161123 662435439 /nfs/dbraw/zinc/43/54/39/662435439.db2.gz PBANPKXOLPZPFI-PHIMTYICSA-N 2 2 320.353 -1.328 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023783593 662459608 /nfs/dbraw/zinc/45/96/08/662459608.db2.gz KYMKWLAOISNTTN-QJPTWQEYSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023783593 662459615 /nfs/dbraw/zinc/45/96/15/662459615.db2.gz KYMKWLAOISNTTN-QJPTWQEYSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023783592 662459982 /nfs/dbraw/zinc/45/99/82/662459982.db2.gz KYMKWLAOISNTTN-IJLUTSLNSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001023783592 662459984 /nfs/dbraw/zinc/45/99/84/662459984.db2.gz KYMKWLAOISNTTN-IJLUTSLNSA-N 2 2 321.381 -1.408 20 0 DAADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001025302636 662508750 /nfs/dbraw/zinc/50/87/50/662508750.db2.gz UHIFTOIJFQHKJE-GRYCIOLGSA-N 2 2 323.397 -1.020 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304453 662508961 /nfs/dbraw/zinc/50/89/61/662508961.db2.gz VMIUFIUYEWDFHS-IJLUTSLNSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001025304453 662508964 /nfs/dbraw/zinc/50/89/64/662508964.db2.gz VMIUFIUYEWDFHS-IJLUTSLNSA-N 2 2 321.381 -1.408 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719885 662527239 /nfs/dbraw/zinc/52/72/39/662527239.db2.gz WNSGQEIIUDMJBP-PDWCTOEPSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719885 662527243 /nfs/dbraw/zinc/52/72/43/662527243.db2.gz WNSGQEIIUDMJBP-PDWCTOEPSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719885 662527246 /nfs/dbraw/zinc/52/72/46/662527246.db2.gz WNSGQEIIUDMJBP-PDWCTOEPSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719885 662527248 /nfs/dbraw/zinc/52/72/48/662527248.db2.gz WNSGQEIIUDMJBP-PDWCTOEPSA-N 2 2 324.425 -1.160 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719887 662528024 /nfs/dbraw/zinc/52/80/24/662528024.db2.gz WPWIFPJEPGKOLR-FHUSYTEZSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719887 662528028 /nfs/dbraw/zinc/52/80/28/662528028.db2.gz WPWIFPJEPGKOLR-FHUSYTEZSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719887 662528031 /nfs/dbraw/zinc/52/80/31/662528031.db2.gz WPWIFPJEPGKOLR-FHUSYTEZSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719887 662528034 /nfs/dbraw/zinc/52/80/34/662528034.db2.gz WPWIFPJEPGKOLR-FHUSYTEZSA-N 2 2 310.398 -1.373 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804386 662532357 /nfs/dbraw/zinc/53/23/57/662532357.db2.gz BYDDXPGMWYJGPK-RAIGVLPGSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001025804386 662532360 /nfs/dbraw/zinc/53/23/60/662532360.db2.gz BYDDXPGMWYJGPK-RAIGVLPGSA-N 2 2 321.381 -1.408 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818486 662534506 /nfs/dbraw/zinc/53/45/06/662534506.db2.gz WEIYVQFIDMCDIH-PDWLFKFUSA-N 2 2 310.398 -1.374 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818486 662534510 /nfs/dbraw/zinc/53/45/10/662534510.db2.gz WEIYVQFIDMCDIH-PDWLFKFUSA-N 2 2 310.398 -1.374 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001025818486 662534514 /nfs/dbraw/zinc/53/45/14/662534514.db2.gz WEIYVQFIDMCDIH-PDWLFKFUSA-N 2 2 310.398 -1.374 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001025818486 662534517 /nfs/dbraw/zinc/53/45/17/662534517.db2.gz WEIYVQFIDMCDIH-PDWLFKFUSA-N 2 2 310.398 -1.374 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001020026252 662537354 /nfs/dbraw/zinc/53/73/54/662537354.db2.gz MQKQLSQHLKMOMW-DCAQKATOSA-N 2 2 308.386 -1.061 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001020026252 662537359 /nfs/dbraw/zinc/53/73/59/662537359.db2.gz MQKQLSQHLKMOMW-DCAQKATOSA-N 2 2 308.386 -1.061 20 0 DAADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)C2(O)CCOCC2)CC1=O ZINC000930847311 662558093 /nfs/dbraw/zinc/55/80/93/662558093.db2.gz GOTYAESAVKSTKC-ZDUSSCGKSA-N 2 2 315.414 -1.405 20 0 DAADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)C2(O)CCOCC2)CC1=O ZINC000930847311 662558094 /nfs/dbraw/zinc/55/80/94/662558094.db2.gz GOTYAESAVKSTKC-ZDUSSCGKSA-N 2 2 315.414 -1.405 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461266 662672320 /nfs/dbraw/zinc/67/23/20/662672320.db2.gz NEPCVUJUWYEQET-STQMWFEESA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461266 662672321 /nfs/dbraw/zinc/67/23/21/662672321.db2.gz NEPCVUJUWYEQET-STQMWFEESA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461266 662672323 /nfs/dbraw/zinc/67/23/23/662672323.db2.gz NEPCVUJUWYEQET-STQMWFEESA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461266 662672325 /nfs/dbraw/zinc/67/23/25/662672325.db2.gz NEPCVUJUWYEQET-STQMWFEESA-N 2 2 312.414 -1.157 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464876 662672376 /nfs/dbraw/zinc/67/23/76/662672376.db2.gz GRPINOKVUPZBPW-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464876 662672377 /nfs/dbraw/zinc/67/23/77/662672377.db2.gz GRPINOKVUPZBPW-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464876 662672379 /nfs/dbraw/zinc/67/23/79/662672379.db2.gz GRPINOKVUPZBPW-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464876 662672380 /nfs/dbraw/zinc/67/23/80/662672380.db2.gz GRPINOKVUPZBPW-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461264 662672694 /nfs/dbraw/zinc/67/26/94/662672694.db2.gz NEPCVUJUWYEQET-OLZOCXBDSA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461264 662672695 /nfs/dbraw/zinc/67/26/95/662672695.db2.gz NEPCVUJUWYEQET-OLZOCXBDSA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461264 662672698 /nfs/dbraw/zinc/67/26/98/662672698.db2.gz NEPCVUJUWYEQET-OLZOCXBDSA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461264 662672699 /nfs/dbraw/zinc/67/26/99/662672699.db2.gz NEPCVUJUWYEQET-OLZOCXBDSA-N 2 2 312.414 -1.157 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990509684 662764180 /nfs/dbraw/zinc/76/41/80/662764180.db2.gz ZVORZXXPKLDDHK-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990509684 662764182 /nfs/dbraw/zinc/76/41/82/662764182.db2.gz ZVORZXXPKLDDHK-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990509684 662764184 /nfs/dbraw/zinc/76/41/84/662764184.db2.gz ZVORZXXPKLDDHK-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990509684 662764186 /nfs/dbraw/zinc/76/41/86/662764186.db2.gz ZVORZXXPKLDDHK-OLZOCXBDSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990509689 662764375 /nfs/dbraw/zinc/76/43/75/662764375.db2.gz ZVORZXXPKLDDHK-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990509689 662764378 /nfs/dbraw/zinc/76/43/78/662764378.db2.gz ZVORZXXPKLDDHK-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990509689 662764380 /nfs/dbraw/zinc/76/43/80/662764380.db2.gz ZVORZXXPKLDDHK-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990509689 662764383 /nfs/dbraw/zinc/76/43/83/662764383.db2.gz ZVORZXXPKLDDHK-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990568943 662765753 /nfs/dbraw/zinc/76/57/53/662765753.db2.gz AGTIDTNSJRMTDS-LBPRGKRZSA-N 2 2 323.401 -1.379 20 0 DAADLP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990568943 662765756 /nfs/dbraw/zinc/76/57/56/662765756.db2.gz AGTIDTNSJRMTDS-LBPRGKRZSA-N 2 2 323.401 -1.379 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC000990620812 662768096 /nfs/dbraw/zinc/76/80/96/662768096.db2.gz BQVZQUVHOJQRDA-ZIAGYGMSSA-N 2 2 324.425 -1.016 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC000990620812 662768099 /nfs/dbraw/zinc/76/80/99/662768099.db2.gz BQVZQUVHOJQRDA-ZIAGYGMSSA-N 2 2 324.425 -1.016 20 0 DAADLP CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC000990618874 662768672 /nfs/dbraw/zinc/76/86/72/662768672.db2.gz UUXUVDORWXDJCR-QWHCGFSZSA-N 2 2 312.414 -1.016 20 0 DAADLP CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC000990618874 662768673 /nfs/dbraw/zinc/76/86/73/662768673.db2.gz UUXUVDORWXDJCR-QWHCGFSZSA-N 2 2 312.414 -1.016 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000990629013 662769258 /nfs/dbraw/zinc/76/92/58/662769258.db2.gz HRANJNQOODYGKO-ZDUSSCGKSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000990629013 662769260 /nfs/dbraw/zinc/76/92/60/662769260.db2.gz HRANJNQOODYGKO-ZDUSSCGKSA-N 2 2 310.398 -1.260 20 0 DAADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1C[NH+]2CCN1CCC2 ZINC000899060141 662771748 /nfs/dbraw/zinc/77/17/48/662771748.db2.gz FHKRODRLEYUCLP-CQSZACIVSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1C[NH+]2CCN1CCC2 ZINC000899060141 662771750 /nfs/dbraw/zinc/77/17/50/662771750.db2.gz FHKRODRLEYUCLP-CQSZACIVSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000899060141 662771752 /nfs/dbraw/zinc/77/17/52/662771752.db2.gz FHKRODRLEYUCLP-CQSZACIVSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000899060141 662771754 /nfs/dbraw/zinc/77/17/54/662771754.db2.gz FHKRODRLEYUCLP-CQSZACIVSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1C[NH+]2CCN1CCC2 ZINC000899060139 662771861 /nfs/dbraw/zinc/77/18/61/662771861.db2.gz FHKRODRLEYUCLP-AWEZNQCLSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1C[NH+]2CCN1CCC2 ZINC000899060139 662771863 /nfs/dbraw/zinc/77/18/63/662771863.db2.gz FHKRODRLEYUCLP-AWEZNQCLSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000899060139 662771865 /nfs/dbraw/zinc/77/18/65/662771865.db2.gz FHKRODRLEYUCLP-AWEZNQCLSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000899060139 662771867 /nfs/dbraw/zinc/77/18/67/662771867.db2.gz FHKRODRLEYUCLP-AWEZNQCLSA-N 2 2 324.425 -1.059 20 0 DAADLP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000900566315 662778273 /nfs/dbraw/zinc/77/82/73/662778273.db2.gz RBDVWRLQEPLOME-HNNXBMFYSA-N 2 2 312.414 -1.147 20 0 DAADLP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000900566315 662778275 /nfs/dbraw/zinc/77/82/75/662778275.db2.gz RBDVWRLQEPLOME-HNNXBMFYSA-N 2 2 312.414 -1.147 20 0 DAADLP C[NH+]1CCC[C@](O)(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000900566315 662778277 /nfs/dbraw/zinc/77/82/77/662778277.db2.gz RBDVWRLQEPLOME-HNNXBMFYSA-N 2 2 312.414 -1.147 20 0 DAADLP C[NH+]1CCC[C@](O)(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000900566315 662778279 /nfs/dbraw/zinc/77/82/79/662778279.db2.gz RBDVWRLQEPLOME-HNNXBMFYSA-N 2 2 312.414 -1.147 20 0 DAADLP C[NH+]1CCN(C(=O)CCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000900687254 662779423 /nfs/dbraw/zinc/77/94/23/662779423.db2.gz SSDYLGXUHKVYCP-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903715019 662789902 /nfs/dbraw/zinc/78/99/02/662789902.db2.gz ORFALEPTXPTJCL-LBPRGKRZSA-N 2 2 312.414 -1.027 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903715018 662790257 /nfs/dbraw/zinc/79/02/57/662790257.db2.gz ORFALEPTXPTJCL-GFCCVEGCSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH2+]CCN(C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000903812867 662790703 /nfs/dbraw/zinc/79/07/03/662790703.db2.gz RDUMAZZRVHLRRS-ZDUSSCGKSA-N 2 2 314.430 -1.032 20 0 DAADLP CN(C)C(=O)Cn1nc2n(c1=O)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904345197 662791954 /nfs/dbraw/zinc/79/19/54/662791954.db2.gz FYQWSMIAEKLYMJ-PHIMTYICSA-N 2 2 308.386 -1.314 20 0 DAADLP CN(C)C(=O)Cn1nc2n(c1=O)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904345197 662791955 /nfs/dbraw/zinc/79/19/55/662791955.db2.gz FYQWSMIAEKLYMJ-PHIMTYICSA-N 2 2 308.386 -1.314 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000905013723 662792721 /nfs/dbraw/zinc/79/27/21/662792721.db2.gz HFVBGWQNOBZRMR-ZDUSSCGKSA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000905012147 662793162 /nfs/dbraw/zinc/79/31/62/662793162.db2.gz ZEWRKOJORMYBGR-XEZPLFJOSA-N 2 2 324.425 -1.149 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000905023780 662794319 /nfs/dbraw/zinc/79/43/19/662794319.db2.gz VPCZNMSQFJSNIL-KGLIPLIRSA-N 2 2 322.409 -1.094 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911528757 663147526 /nfs/dbraw/zinc/14/75/26/663147526.db2.gz RCRNMEHYGDDGSW-GFCCVEGCSA-N 2 2 312.414 -1.109 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911542979 663148448 /nfs/dbraw/zinc/14/84/48/663148448.db2.gz SFKRVMRRCVAOHV-YNEHKIRRSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000912387058 663153133 /nfs/dbraw/zinc/15/31/33/663153133.db2.gz NFPYOHBKBLPQNB-UHFFFAOYSA-N 2 2 320.459 -1.123 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000912387058 663153136 /nfs/dbraw/zinc/15/31/36/663153136.db2.gz NFPYOHBKBLPQNB-UHFFFAOYSA-N 2 2 320.459 -1.123 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1=O ZINC000912743758 663155141 /nfs/dbraw/zinc/15/51/41/663155141.db2.gz FEEQJPCZAZCHQU-QWHCGFSZSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1=O ZINC000912743758 663155142 /nfs/dbraw/zinc/15/51/42/663155142.db2.gz FEEQJPCZAZCHQU-QWHCGFSZSA-N 2 2 312.414 -1.469 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991746175 663192528 /nfs/dbraw/zinc/19/25/28/663192528.db2.gz FZBWGEIGRCBAEU-CYBMUJFWSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991746175 663192529 /nfs/dbraw/zinc/19/25/29/663192529.db2.gz FZBWGEIGRCBAEU-CYBMUJFWSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031388421 663288899 /nfs/dbraw/zinc/28/88/99/663288899.db2.gz YBHZFMHTWVSJHA-GXTWGEPZSA-N 2 2 307.398 -1.004 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031388421 663288903 /nfs/dbraw/zinc/28/89/03/663288903.db2.gz YBHZFMHTWVSJHA-GXTWGEPZSA-N 2 2 307.398 -1.004 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001031384903 663288987 /nfs/dbraw/zinc/28/89/87/663288987.db2.gz NXSTWPZJTQFJRZ-LLVKDONJSA-N 2 2 323.397 -1.320 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001031384903 663288988 /nfs/dbraw/zinc/28/89/88/663288988.db2.gz NXSTWPZJTQFJRZ-LLVKDONJSA-N 2 2 323.397 -1.320 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031388423 663289248 /nfs/dbraw/zinc/28/92/48/663289248.db2.gz YBHZFMHTWVSJHA-OCCSQVGLSA-N 2 2 307.398 -1.004 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031388423 663289251 /nfs/dbraw/zinc/28/92/51/663289251.db2.gz YBHZFMHTWVSJHA-OCCSQVGLSA-N 2 2 307.398 -1.004 20 0 DAADLP CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001031597244 663301408 /nfs/dbraw/zinc/30/14/08/663301408.db2.gz XRTYPIYLKVUDFV-KBPBESRZSA-N 2 2 324.425 -1.014 20 0 DAADLP CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001031597244 663301412 /nfs/dbraw/zinc/30/14/12/663301412.db2.gz XRTYPIYLKVUDFV-KBPBESRZSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689382 663307708 /nfs/dbraw/zinc/30/77/08/663307708.db2.gz VERHWSVJTAQXBR-CHWSQXEVSA-N 2 2 310.398 -1.356 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689382 663307710 /nfs/dbraw/zinc/30/77/10/663307710.db2.gz VERHWSVJTAQXBR-CHWSQXEVSA-N 2 2 310.398 -1.356 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)O1 ZINC001031765989 663340999 /nfs/dbraw/zinc/34/09/99/663340999.db2.gz XTQFASPMEJNAKJ-TZMCWYRMSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)O1 ZINC001031765989 663341005 /nfs/dbraw/zinc/34/10/05/663341005.db2.gz XTQFASPMEJNAKJ-TZMCWYRMSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856569 663365438 /nfs/dbraw/zinc/36/54/38/663365438.db2.gz CHMSXRIFVMTKLP-RYCVTPFZSA-N 2 2 322.409 -1.356 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856569 663365441 /nfs/dbraw/zinc/36/54/41/663365441.db2.gz CHMSXRIFVMTKLP-RYCVTPFZSA-N 2 2 322.409 -1.356 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856989 663366392 /nfs/dbraw/zinc/36/63/92/663366392.db2.gz OIPWCHZSNOIBML-CFFKWZFISA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856989 663366394 /nfs/dbraw/zinc/36/63/94/663366394.db2.gz OIPWCHZSNOIBML-CFFKWZFISA-N 2 2 322.409 -1.229 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032042677 663428091 /nfs/dbraw/zinc/42/80/91/663428091.db2.gz DHZSNYPQCKPRKN-UHFFFAOYSA-N 2 2 322.413 -1.148 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032042501 663428356 /nfs/dbraw/zinc/42/83/56/663428356.db2.gz CDBSGWFYRVSRRO-NSHDSACASA-N 2 2 322.413 -1.020 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)C1 ZINC001032201696 663451523 /nfs/dbraw/zinc/45/15/23/663451523.db2.gz IPIQXFPJAOCIAZ-CYBMUJFWSA-N 2 2 312.414 -1.157 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)C1 ZINC001032201696 663451525 /nfs/dbraw/zinc/45/15/25/663451525.db2.gz IPIQXFPJAOCIAZ-CYBMUJFWSA-N 2 2 312.414 -1.157 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550169 663589766 /nfs/dbraw/zinc/58/97/66/663589766.db2.gz IKHFIXHHCYIFQS-UONOGXRCSA-N 2 2 322.409 -1.046 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550169 663589767 /nfs/dbraw/zinc/58/97/67/663589767.db2.gz IKHFIXHHCYIFQS-UONOGXRCSA-N 2 2 322.409 -1.046 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550169 663589768 /nfs/dbraw/zinc/58/97/68/663589768.db2.gz IKHFIXHHCYIFQS-UONOGXRCSA-N 2 2 322.409 -1.046 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550169 663589769 /nfs/dbraw/zinc/58/97/69/663589769.db2.gz IKHFIXHHCYIFQS-UONOGXRCSA-N 2 2 322.409 -1.046 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001202391 663597615 /nfs/dbraw/zinc/59/76/15/663597615.db2.gz CCCRRWJTWPNNLZ-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001202391 663597616 /nfs/dbraw/zinc/59/76/16/663597616.db2.gz CCCRRWJTWPNNLZ-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001202391 663597617 /nfs/dbraw/zinc/59/76/17/663597617.db2.gz CCCRRWJTWPNNLZ-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001202391 663597623 /nfs/dbraw/zinc/59/76/23/663597623.db2.gz CCCRRWJTWPNNLZ-UONOGXRCSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001202392 663597841 /nfs/dbraw/zinc/59/78/41/663597841.db2.gz CCCRRWJTWPNNLZ-ZIAGYGMSSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001001202392 663597844 /nfs/dbraw/zinc/59/78/44/663597844.db2.gz CCCRRWJTWPNNLZ-ZIAGYGMSSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001202392 663597846 /nfs/dbraw/zinc/59/78/46/663597846.db2.gz CCCRRWJTWPNNLZ-ZIAGYGMSSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001202392 663597850 /nfs/dbraw/zinc/59/78/50/663597850.db2.gz CCCRRWJTWPNNLZ-ZIAGYGMSSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001279264 663600249 /nfs/dbraw/zinc/60/02/49/663600249.db2.gz PSURAXBDOIOYLX-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001279264 663600254 /nfs/dbraw/zinc/60/02/54/663600254.db2.gz PSURAXBDOIOYLX-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032814955 663602146 /nfs/dbraw/zinc/60/21/46/663602146.db2.gz RKUYHPFLQFTBHF-SDDRHHMPSA-N 2 2 317.349 -1.027 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032814955 663602150 /nfs/dbraw/zinc/60/21/50/663602150.db2.gz RKUYHPFLQFTBHF-SDDRHHMPSA-N 2 2 317.349 -1.027 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001002523409 663616108 /nfs/dbraw/zinc/61/61/08/663616108.db2.gz NMNZGHPZMBNCMA-STQMWFEESA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001002523409 663616109 /nfs/dbraw/zinc/61/61/09/663616109.db2.gz NMNZGHPZMBNCMA-STQMWFEESA-N 2 2 310.398 -1.214 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186342 663653898 /nfs/dbraw/zinc/65/38/98/663653898.db2.gz VGKYOGUIBJAOCT-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186342 663653900 /nfs/dbraw/zinc/65/39/00/663653900.db2.gz VGKYOGUIBJAOCT-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186342 663653902 /nfs/dbraw/zinc/65/39/02/663653902.db2.gz VGKYOGUIBJAOCT-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186342 663653906 /nfs/dbraw/zinc/65/39/06/663653906.db2.gz VGKYOGUIBJAOCT-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033277814 663656635 /nfs/dbraw/zinc/65/66/35/663656635.db2.gz HRYKLXYJWYGBQE-WULFKBJJSA-N 2 2 322.409 -1.132 20 0 DAADLP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033277814 663656638 /nfs/dbraw/zinc/65/66/38/663656638.db2.gz HRYKLXYJWYGBQE-WULFKBJJSA-N 2 2 322.409 -1.132 20 0 DAADLP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033277814 663656640 /nfs/dbraw/zinc/65/66/40/663656640.db2.gz HRYKLXYJWYGBQE-WULFKBJJSA-N 2 2 322.409 -1.132 20 0 DAADLP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033277814 663656642 /nfs/dbraw/zinc/65/66/42/663656642.db2.gz HRYKLXYJWYGBQE-WULFKBJJSA-N 2 2 322.409 -1.132 20 0 DAADLP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005209018 663663728 /nfs/dbraw/zinc/66/37/28/663663728.db2.gz JLSQTRWQCHYURC-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209018 663663729 /nfs/dbraw/zinc/66/37/29/663663729.db2.gz JLSQTRWQCHYURC-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)O1 ZINC001035408687 663682264 /nfs/dbraw/zinc/68/22/64/663682264.db2.gz SSTDRRWRIVXOPS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)O1 ZINC001035408687 663682266 /nfs/dbraw/zinc/68/22/66/663682266.db2.gz SSTDRRWRIVXOPS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)O1 ZINC001035408687 663682267 /nfs/dbraw/zinc/68/22/67/663682267.db2.gz SSTDRRWRIVXOPS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)O1 ZINC001035408687 663682269 /nfs/dbraw/zinc/68/22/69/663682269.db2.gz SSTDRRWRIVXOPS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035608216 663688776 /nfs/dbraw/zinc/68/87/76/663688776.db2.gz ZAKODIMQOMIYQX-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035608216 663688777 /nfs/dbraw/zinc/68/87/77/663688777.db2.gz ZAKODIMQOMIYQX-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035608216 663688780 /nfs/dbraw/zinc/68/87/80/663688780.db2.gz ZAKODIMQOMIYQX-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035608216 663688781 /nfs/dbraw/zinc/68/87/81/663688781.db2.gz ZAKODIMQOMIYQX-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000923333323 663696533 /nfs/dbraw/zinc/69/65/33/663696533.db2.gz QRKJNFMIEPIQFC-GFCCVEGCSA-N 2 2 323.397 -1.223 20 0 DAADLP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000923333323 663696535 /nfs/dbraw/zinc/69/65/35/663696535.db2.gz QRKJNFMIEPIQFC-GFCCVEGCSA-N 2 2 323.397 -1.223 20 0 DAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000923398008 663696549 /nfs/dbraw/zinc/69/65/49/663696549.db2.gz IKUNTYIDYJVIHC-CQSZACIVSA-N 2 2 322.413 -1.113 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946927263 663699087 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663949550 /nfs/dbraw/zinc/94/95/50/663949550.db2.gz WKZSDRWHCFZVJN-HNNXBMFYSA-N 3 2 316.446 -1.009 20 0 DAADLP COC[C@]1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C[NH2+]CCO1 ZINC000876961729 663949551 /nfs/dbraw/zinc/94/95/51/663949551.db2.gz WKZSDRWHCFZVJN-HNNXBMFYSA-N 3 2 316.446 -1.009 20 0 DAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CCO1 ZINC000925414689 663981046 /nfs/dbraw/zinc/98/10/46/663981046.db2.gz BBPIPGZOODUAKX-NEPJUHHUSA-N 2 2 313.402 -1.482 20 0 DAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CCO1 ZINC000925414689 663981048 /nfs/dbraw/zinc/98/10/48/663981048.db2.gz BBPIPGZOODUAKX-NEPJUHHUSA-N 2 2 313.402 -1.482 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000925414689 663981050 /nfs/dbraw/zinc/98/10/50/663981050.db2.gz BBPIPGZOODUAKX-NEPJUHHUSA-N 2 2 313.402 -1.482 20 0 DAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000925414689 663981052 /nfs/dbraw/zinc/98/10/52/663981052.db2.gz BBPIPGZOODUAKX-NEPJUHHUSA-N 2 2 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C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929259241 663987554 /nfs/dbraw/zinc/98/75/54/663987554.db2.gz VIAJGDJSFRCRTK-HIFRSBDPSA-N 2 2 315.414 -1.405 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)no1 ZINC000958199925 664244252 /nfs/dbraw/zinc/24/42/52/664244252.db2.gz NCRJVJOQSDNDFQ-GWCFXTLKSA-N 2 2 312.370 -1.249 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)no1 ZINC000958199925 664244257 /nfs/dbraw/zinc/24/42/57/664244257.db2.gz NCRJVJOQSDNDFQ-GWCFXTLKSA-N 2 2 312.370 -1.249 20 0 DAADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958345727 664259510 /nfs/dbraw/zinc/25/95/10/664259510.db2.gz QYXNZVXNTJEOGF-RYUDHWBXSA-N 2 2 324.381 -1.151 20 0 DAADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958345727 664259511 /nfs/dbraw/zinc/25/95/11/664259511.db2.gz QYXNZVXNTJEOGF-RYUDHWBXSA-N 2 2 324.381 -1.151 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)C1 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308.386 -1.201 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427880 664515736 /nfs/dbraw/zinc/51/57/36/664515736.db2.gz MMUVLBDNUJEGMG-QWHCGFSZSA-N 2 2 308.386 -1.201 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001010427882 664515850 /nfs/dbraw/zinc/51/58/50/664515850.db2.gz MMUVLBDNUJEGMG-STQMWFEESA-N 2 2 308.386 -1.201 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001010427882 664515852 /nfs/dbraw/zinc/51/58/52/664515852.db2.gz MMUVLBDNUJEGMG-STQMWFEESA-N 2 2 308.386 -1.201 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001010427882 664515854 /nfs/dbraw/zinc/51/58/54/664515854.db2.gz MMUVLBDNUJEGMG-STQMWFEESA-N 2 2 308.386 -1.201 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427882 664515856 /nfs/dbraw/zinc/51/58/56/664515856.db2.gz MMUVLBDNUJEGMG-STQMWFEESA-N 2 2 308.386 -1.201 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001010427658 664516025 /nfs/dbraw/zinc/51/60/25/664516025.db2.gz MMUVLBDNUJEGMG-OLZOCXBDSA-N 2 2 308.386 -1.201 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cncn3)C2)C1 ZINC001010427658 664516026 /nfs/dbraw/zinc/51/60/26/664516026.db2.gz MMUVLBDNUJEGMG-OLZOCXBDSA-N 2 2 308.386 -1.201 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001010427658 664516027 /nfs/dbraw/zinc/51/60/27/664516027.db2.gz MMUVLBDNUJEGMG-OLZOCXBDSA-N 2 2 308.386 -1.201 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427658 664516029 /nfs/dbraw/zinc/51/60/29/664516029.db2.gz MMUVLBDNUJEGMG-OLZOCXBDSA-N 2 2 308.386 -1.201 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001016397900 664574716 /nfs/dbraw/zinc/57/47/16/664574716.db2.gz PKCIZRHQYWYTQN-LLVKDONJSA-N 2 2 320.353 -1.375 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016397900 664574718 /nfs/dbraw/zinc/57/47/18/664574718.db2.gz PKCIZRHQYWYTQN-LLVKDONJSA-N 2 2 320.353 -1.375 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018663794 664588861 /nfs/dbraw/zinc/58/88/61/664588861.db2.gz PSDJQLVREKHTEV-WCQYABFASA-N 2 2 308.386 -1.164 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018663794 664588863 /nfs/dbraw/zinc/58/88/63/664588863.db2.gz PSDJQLVREKHTEV-WCQYABFASA-N 2 2 308.386 -1.164 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019566246 664602750 /nfs/dbraw/zinc/60/27/50/664602750.db2.gz XZAZHCVVBMPILP-JTQLQIEISA-N 2 2 320.353 -1.306 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045778 664608512 /nfs/dbraw/zinc/60/85/12/664608512.db2.gz KXFHUKZOJYTERN-IJLUTSLNSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045778 664608514 /nfs/dbraw/zinc/60/85/14/664608514.db2.gz KXFHUKZOJYTERN-IJLUTSLNSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001020045819 664608545 /nfs/dbraw/zinc/60/85/45/664608545.db2.gz MQGSBZQLJQFTIU-GVXVVHGQSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001020045819 664608547 /nfs/dbraw/zinc/60/85/47/664608547.db2.gz MQGSBZQLJQFTIU-GVXVVHGQSA-N 2 2 308.386 -1.118 20 0 DAADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481364 678078548 /nfs/dbraw/zinc/07/85/48/678078548.db2.gz FQIGHUVTYMIOAR-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481364 678078549 /nfs/dbraw/zinc/07/85/49/678078549.db2.gz FQIGHUVTYMIOAR-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481364 678078550 /nfs/dbraw/zinc/07/85/50/678078550.db2.gz FQIGHUVTYMIOAR-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481364 678078551 /nfs/dbraw/zinc/07/85/51/678078551.db2.gz FQIGHUVTYMIOAR-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481425 678078726 /nfs/dbraw/zinc/07/87/26/678078726.db2.gz IFTRFKGNNSOQLW-JHJVBQTASA-N 2 2 301.387 -1.221 20 0 DAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481425 678078728 /nfs/dbraw/zinc/07/87/28/678078728.db2.gz IFTRFKGNNSOQLW-JHJVBQTASA-N 2 2 301.387 -1.221 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481425 678078731 /nfs/dbraw/zinc/07/87/31/678078731.db2.gz IFTRFKGNNSOQLW-JHJVBQTASA-N 2 2 301.387 -1.221 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481425 678078733 /nfs/dbraw/zinc/07/87/33/678078733.db2.gz IFTRFKGNNSOQLW-JHJVBQTASA-N 2 2 301.387 -1.221 20 0 DAADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368687 678116455 /nfs/dbraw/zinc/11/64/55/678116455.db2.gz KSPKCMJMPOOOES-JHJVBQTASA-N 2 2 312.414 -1.158 20 0 DAADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368687 678116457 /nfs/dbraw/zinc/11/64/57/678116457.db2.gz KSPKCMJMPOOOES-JHJVBQTASA-N 2 2 312.414 -1.158 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368687 678116458 /nfs/dbraw/zinc/11/64/58/678116458.db2.gz KSPKCMJMPOOOES-JHJVBQTASA-N 2 2 312.414 -1.158 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368687 678116460 /nfs/dbraw/zinc/11/64/60/678116460.db2.gz KSPKCMJMPOOOES-JHJVBQTASA-N 2 2 312.414 -1.158 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872194016 678139908 /nfs/dbraw/zinc/13/99/08/678139908.db2.gz DRDNFOOOQLERDQ-HEHGZKQESA-N 2 2 324.425 -1.421 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182637 782191886 /nfs/dbraw/zinc/19/18/86/782191886.db2.gz RMFYEDGRGHQDBO-NEPJUHHUSA-N 2 2 314.386 -1.991 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200182637 782191892 /nfs/dbraw/zinc/19/18/92/782191892.db2.gz RMFYEDGRGHQDBO-NEPJUHHUSA-N 2 2 314.386 -1.991 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083279172 677684576 /nfs/dbraw/zinc/68/45/76/677684576.db2.gz MWRQKVSPYATIPK-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083279172 677684577 /nfs/dbraw/zinc/68/45/77/677684577.db2.gz MWRQKVSPYATIPK-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083279172 677684578 /nfs/dbraw/zinc/68/45/78/677684578.db2.gz MWRQKVSPYATIPK-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083279172 677684579 /nfs/dbraw/zinc/68/45/79/677684579.db2.gz MWRQKVSPYATIPK-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083291041 677686664 /nfs/dbraw/zinc/68/66/64/677686664.db2.gz KZJIGYOYELCJFL-RWMBFGLXSA-N 2 2 319.365 -1.317 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083291041 677686665 /nfs/dbraw/zinc/68/66/65/677686665.db2.gz KZJIGYOYELCJFL-RWMBFGLXSA-N 2 2 319.365 -1.317 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083372953 677692193 /nfs/dbraw/zinc/69/21/93/677692193.db2.gz MGEPFWXFJNFQOR-UPJWGTAASA-N 2 2 308.386 -1.466 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083372953 677692194 /nfs/dbraw/zinc/69/21/94/677692194.db2.gz MGEPFWXFJNFQOR-UPJWGTAASA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083372953 677692195 /nfs/dbraw/zinc/69/21/95/677692195.db2.gz MGEPFWXFJNFQOR-UPJWGTAASA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083372953 677692196 /nfs/dbraw/zinc/69/21/96/677692196.db2.gz MGEPFWXFJNFQOR-UPJWGTAASA-N 2 2 308.386 -1.466 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938891 677720096 /nfs/dbraw/zinc/72/00/96/677720096.db2.gz NSVGMTWAEYXQLA-XJFOESAGSA-N 2 2 324.425 -1.016 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938891 677720099 /nfs/dbraw/zinc/72/00/99/677720099.db2.gz NSVGMTWAEYXQLA-XJFOESAGSA-N 2 2 324.425 -1.016 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938891 677720103 /nfs/dbraw/zinc/72/01/03/677720103.db2.gz NSVGMTWAEYXQLA-XJFOESAGSA-N 2 2 324.425 -1.016 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938891 677720105 /nfs/dbraw/zinc/72/01/05/677720105.db2.gz NSVGMTWAEYXQLA-XJFOESAGSA-N 2 2 324.425 -1.016 20 0 DAADLP NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365595 677740340 /nfs/dbraw/zinc/74/03/40/677740340.db2.gz FKQOYJRMCZQKDV-QWHCGFSZSA-N 2 2 310.398 -1.273 20 0 DAADLP NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365595 677740342 /nfs/dbraw/zinc/74/03/42/677740342.db2.gz FKQOYJRMCZQKDV-QWHCGFSZSA-N 2 2 310.398 -1.273 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001076805348 677757697 /nfs/dbraw/zinc/75/76/97/677757697.db2.gz CWSHOUYBLSWXFP-HZSPNIEDSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001076805348 677757700 /nfs/dbraw/zinc/75/77/00/677757700.db2.gz CWSHOUYBLSWXFP-HZSPNIEDSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076805348 677757706 /nfs/dbraw/zinc/75/77/06/677757706.db2.gz CWSHOUYBLSWXFP-HZSPNIEDSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076805348 677757710 /nfs/dbraw/zinc/75/77/10/677757710.db2.gz 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Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077392507 677803129 /nfs/dbraw/zinc/80/31/29/677803129.db2.gz DVORAWQDSZBCHQ-CHWSQXEVSA-N 2 2 319.369 -1.355 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001077392559 677803272 /nfs/dbraw/zinc/80/32/72/677803272.db2.gz GMTSZDDDGFICOE-FRRDWIJNSA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001077392559 677803274 /nfs/dbraw/zinc/80/32/74/677803274.db2.gz GMTSZDDDGFICOE-FRRDWIJNSA-N 2 2 321.381 -1.416 20 0 DAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077399520 677804103 /nfs/dbraw/zinc/80/41/03/677804103.db2.gz NAMKPHXSPUIBDP-TZMCWYRMSA-N 2 2 308.382 -1.085 20 0 DAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077399520 677804105 /nfs/dbraw/zinc/80/41/05/677804105.db2.gz NAMKPHXSPUIBDP-TZMCWYRMSA-N 2 2 308.382 -1.085 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000913548586 677824669 /nfs/dbraw/zinc/82/46/69/677824669.db2.gz OTFGQXRZRNSPQY-QWHCGFSZSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000913548586 677824671 /nfs/dbraw/zinc/82/46/71/677824671.db2.gz OTFGQXRZRNSPQY-QWHCGFSZSA-N 2 2 312.414 -1.469 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083723459 677847843 /nfs/dbraw/zinc/84/78/43/677847843.db2.gz LISFNJYFTIOLHJ-HZSPNIEDSA-N 2 2 315.414 -1.361 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749564 677855668 /nfs/dbraw/zinc/85/56/68/677855668.db2.gz GRTLFZJLCAUEGI-OLZOCXBDSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749564 677855669 /nfs/dbraw/zinc/85/56/69/677855669.db2.gz GRTLFZJLCAUEGI-OLZOCXBDSA-N 2 2 312.414 -1.422 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001083749911 677855739 /nfs/dbraw/zinc/85/57/39/677855739.db2.gz WIMDTQCXTYUJLW-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001083749911 677855741 /nfs/dbraw/zinc/85/57/41/677855741.db2.gz WIMDTQCXTYUJLW-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047333481 677859837 /nfs/dbraw/zinc/85/98/37/677859837.db2.gz GGHVZWKYCILXOV-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047333481 677859840 /nfs/dbraw/zinc/85/98/40/677859840.db2.gz GGHVZWKYCILXOV-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047333481 677859842 /nfs/dbraw/zinc/85/98/42/677859842.db2.gz GGHVZWKYCILXOV-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047333481 677859845 /nfs/dbraw/zinc/85/98/45/677859845.db2.gz GGHVZWKYCILXOV-RWMBFGLXSA-N 2 2 301.387 -1.797 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001077618945 677869756 /nfs/dbraw/zinc/86/97/56/677869756.db2.gz WIMDTQCXTYUJLW-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001077618945 677869761 /nfs/dbraw/zinc/86/97/61/677869761.db2.gz WIMDTQCXTYUJLW-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077675643 677873153 /nfs/dbraw/zinc/87/31/53/677873153.db2.gz UQEJBXZVAXQPLM-BFHYXJOUSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077675643 677873156 /nfs/dbraw/zinc/87/31/56/677873156.db2.gz UQEJBXZVAXQPLM-BFHYXJOUSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077675643 677873160 /nfs/dbraw/zinc/87/31/60/677873160.db2.gz UQEJBXZVAXQPLM-BFHYXJOUSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077675643 677873163 /nfs/dbraw/zinc/87/31/63/677873163.db2.gz UQEJBXZVAXQPLM-BFHYXJOUSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778411 677880747 /nfs/dbraw/zinc/88/07/47/677880747.db2.gz IICAUZNBVVUQEB-RAIGVLPGSA-N 2 2 312.414 -1.247 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778411 677880750 /nfs/dbraw/zinc/88/07/50/677880750.db2.gz IICAUZNBVVUQEB-RAIGVLPGSA-N 2 2 312.414 -1.247 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078011879 677903970 /nfs/dbraw/zinc/90/39/70/677903970.db2.gz MBGVVTFCXZAUEO-FRRDWIJNSA-N 2 2 322.409 -1.526 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001078011879 677903973 /nfs/dbraw/zinc/90/39/73/677903973.db2.gz MBGVVTFCXZAUEO-FRRDWIJNSA-N 2 2 322.409 -1.526 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001078179990 677915308 /nfs/dbraw/zinc/91/53/08/677915308.db2.gz IBHVJXKOGZKEFM-CHWSQXEVSA-N 2 2 308.386 -1.465 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001078179990 677915312 /nfs/dbraw/zinc/91/53/12/677915312.db2.gz IBHVJXKOGZKEFM-CHWSQXEVSA-N 2 2 308.386 -1.465 20 0 DAADLP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001078178994 677915448 /nfs/dbraw/zinc/91/54/48/677915448.db2.gz NKZXFSFPMIPFMN-HZSPNIEDSA-N 2 2 324.425 -1.136 20 0 DAADLP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001078178994 677915452 /nfs/dbraw/zinc/91/54/52/677915452.db2.gz NKZXFSFPMIPFMN-HZSPNIEDSA-N 2 2 324.425 -1.136 20 0 DAADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001078178995 677915535 /nfs/dbraw/zinc/91/55/35/677915535.db2.gz NKZXFSFPMIPFMN-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001078178995 677915536 /nfs/dbraw/zinc/91/55/36/677915536.db2.gz NKZXFSFPMIPFMN-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180154 677915650 /nfs/dbraw/zinc/91/56/50/677915650.db2.gz PGNWJFFNOWGZFH-YNEHKIRRSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180154 677915652 /nfs/dbraw/zinc/91/56/52/677915652.db2.gz PGNWJFFNOWGZFH-YNEHKIRRSA-N 2 2 312.414 -1.280 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001078179090 677915753 /nfs/dbraw/zinc/91/57/53/677915753.db2.gz RNIDQEMSNGIDSY-JHJVBQTASA-N 2 2 310.398 -1.478 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001078179090 677915756 /nfs/dbraw/zinc/91/57/56/677915756.db2.gz RNIDQEMSNGIDSY-JHJVBQTASA-N 2 2 310.398 -1.478 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001078182180 677918905 /nfs/dbraw/zinc/91/89/05/677918905.db2.gz JHNSGTNVFXWEJI-RAIGVLPGSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001078182180 677918907 /nfs/dbraw/zinc/91/89/07/677918907.db2.gz JHNSGTNVFXWEJI-RAIGVLPGSA-N 2 2 323.397 -1.170 20 0 DAADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935248 678044557 /nfs/dbraw/zinc/04/45/57/678044557.db2.gz ODOWHGJLWLXAND-GRYCIOLGSA-N 2 2 322.413 -1.003 20 0 DAADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935248 678044559 /nfs/dbraw/zinc/04/45/59/678044559.db2.gz ODOWHGJLWLXAND-GRYCIOLGSA-N 2 2 322.413 -1.003 20 0 DAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935248 678044561 /nfs/dbraw/zinc/04/45/61/678044561.db2.gz ODOWHGJLWLXAND-GRYCIOLGSA-N 2 2 322.413 -1.003 20 0 DAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935248 678044565 /nfs/dbraw/zinc/04/45/65/678044565.db2.gz ODOWHGJLWLXAND-GRYCIOLGSA-N 2 2 322.413 -1.003 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001081736317 678103282 /nfs/dbraw/zinc/10/32/82/678103282.db2.gz VMVVSYQENGQBAS-OLZOCXBDSA-N 2 2 323.397 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800785 678105990 /nfs/dbraw/zinc/10/59/90/678105990.db2.gz UTDIMIZZXCNVKV-AAEUAGOBSA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001081800787 678106267 /nfs/dbraw/zinc/10/62/67/678106267.db2.gz UTDIMIZZXCNVKV-WCQYABFASA-N 2 2 323.397 -1.161 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082325969 678115277 /nfs/dbraw/zinc/11/52/77/678115277.db2.gz IPGUTWRCRQVBTB-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082325969 678115278 /nfs/dbraw/zinc/11/52/78/678115278.db2.gz IPGUTWRCRQVBTB-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082325969 678115281 /nfs/dbraw/zinc/11/52/81/678115281.db2.gz IPGUTWRCRQVBTB-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082325969 678115283 /nfs/dbraw/zinc/11/52/83/678115283.db2.gz IPGUTWRCRQVBTB-JHJVBQTASA-N 2 2 312.414 -1.110 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083035157 678122253 /nfs/dbraw/zinc/12/22/53/678122253.db2.gz GOXQTUSNWJUXCQ-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083035157 678122254 /nfs/dbraw/zinc/12/22/54/678122254.db2.gz GOXQTUSNWJUXCQ-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083035157 678122255 /nfs/dbraw/zinc/12/22/55/678122255.db2.gz GOXQTUSNWJUXCQ-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083035157 678122256 /nfs/dbraw/zinc/12/22/56/678122256.db2.gz GOXQTUSNWJUXCQ-MJBXVCDLSA-N 2 2 313.398 -1.389 20 0 DAADLP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059362 678168392 /nfs/dbraw/zinc/16/83/92/678168392.db2.gz CKCBLFCKGAPKOY-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP CNC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059362 678168396 /nfs/dbraw/zinc/16/83/96/678168396.db2.gz CKCBLFCKGAPKOY-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041036751 678262136 /nfs/dbraw/zinc/26/21/36/678262136.db2.gz SZTSRYJTONFCEW-HNNXBMFYSA-N 2 2 323.397 -1.017 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167792 678268913 /nfs/dbraw/zinc/26/89/13/678268913.db2.gz RNEVKIYAQYYZEO-XJKSGUPXSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167792 678268920 /nfs/dbraw/zinc/26/89/20/678268920.db2.gz RNEVKIYAQYYZEO-XJKSGUPXSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167792 678268925 /nfs/dbraw/zinc/26/89/25/678268925.db2.gz RNEVKIYAQYYZEO-XJKSGUPXSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167792 678268929 /nfs/dbraw/zinc/26/89/29/678268929.db2.gz RNEVKIYAQYYZEO-XJKSGUPXSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001043708425 678390438 /nfs/dbraw/zinc/39/04/38/678390438.db2.gz BHPLEKUGVVIVRO-LBPRGKRZSA-N 2 2 323.397 -1.087 20 0 DAADLP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001045418664 678456071 /nfs/dbraw/zinc/45/60/71/678456071.db2.gz WUYGIPZRNXVPNF-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC001047172061 678501637 /nfs/dbraw/zinc/50/16/37/678501637.db2.gz PBMIWUUGCLAWHD-GFCCVEGCSA-N 2 2 323.397 -1.018 20 0 DAADLP 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CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047510810 678527230 /nfs/dbraw/zinc/52/72/30/678527230.db2.gz BVAZUUMDDFMDRC-IHRRRGAJSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047545873 678528974 /nfs/dbraw/zinc/52/89/74/678528974.db2.gz ZADUKHPBUFAAFJ-STQMWFEESA-N 2 2 319.369 -1.253 20 0 DAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047545873 678528978 /nfs/dbraw/zinc/52/89/78/678528978.db2.gz ZADUKHPBUFAAFJ-STQMWFEESA-N 2 2 319.369 -1.253 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047595415 678534544 /nfs/dbraw/zinc/53/45/44/678534544.db2.gz CNFGAMQKWIFEOY-AGIUHOORSA-N 2 2 312.414 -1.422 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047595415 678534548 /nfs/dbraw/zinc/53/45/48/678534548.db2.gz CNFGAMQKWIFEOY-AGIUHOORSA-N 2 2 312.414 -1.422 20 0 DAADLP 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O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100048420 782538980 /nfs/dbraw/zinc/53/89/80/782538980.db2.gz LIKNTICPXCOVLP-NEPJUHHUSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100048420 782538985 /nfs/dbraw/zinc/53/89/85/782538985.db2.gz LIKNTICPXCOVLP-NEPJUHHUSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100048422 782539427 /nfs/dbraw/zinc/53/94/27/782539427.db2.gz LIKNTICPXCOVLP-RYUDHWBXSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100048422 782539437 /nfs/dbraw/zinc/53/94/37/782539437.db2.gz LIKNTICPXCOVLP-RYUDHWBXSA-N 2 2 312.370 -1.488 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@@H]1O ZINC001100064403 782543435 /nfs/dbraw/zinc/54/34/35/782543435.db2.gz MBTIAKBYKKAXJB-RYUDHWBXSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@@H]1O ZINC001100064403 782543438 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DAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001100083108 782547554 /nfs/dbraw/zinc/54/75/54/782547554.db2.gz NGHVIWQBRYUYNC-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001100083108 782547560 /nfs/dbraw/zinc/54/75/60/782547560.db2.gz NGHVIWQBRYUYNC-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100083320 782547711 /nfs/dbraw/zinc/54/77/11/782547711.db2.gz QFTNYSYVGGDWJI-NEPJUHHUSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100083320 782547722 /nfs/dbraw/zinc/54/77/22/782547722.db2.gz QFTNYSYVGGDWJI-NEPJUHHUSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100083320 782547731 /nfs/dbraw/zinc/54/77/31/782547731.db2.gz QFTNYSYVGGDWJI-NEPJUHHUSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100083320 782547737 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Cn1c[nH+]cc1CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105360795 775379816 /nfs/dbraw/zinc/37/98/16/775379816.db2.gz IXTBIKWMJFDZBI-UHFFFAOYSA-N 2 2 319.369 -1.281 20 0 DAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001161237769 775382102 /nfs/dbraw/zinc/38/21/02/775382102.db2.gz OIFGWBWLXHVGPS-QWRGUYRKSA-N 2 2 312.370 -2.368 20 0 DAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001161237769 775382110 /nfs/dbraw/zinc/38/21/10/775382110.db2.gz OIFGWBWLXHVGPS-QWRGUYRKSA-N 2 2 312.370 -2.368 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268401888 775382332 /nfs/dbraw/zinc/38/23/32/775382332.db2.gz CWPHQTOVMXHGDD-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268401887 775382690 /nfs/dbraw/zinc/38/26/90/775382690.db2.gz CWPHQTOVMXHGDD-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001161237774 775382803 /nfs/dbraw/zinc/38/28/03/775382803.db2.gz OIFGWBWLXHVGPS-WDEREUQCSA-N 2 2 312.370 -2.368 20 0 DAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001161237774 775382812 /nfs/dbraw/zinc/38/28/12/775382812.db2.gz OIFGWBWLXHVGPS-WDEREUQCSA-N 2 2 312.370 -2.368 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105372458 775406846 /nfs/dbraw/zinc/40/68/46/775406846.db2.gz HZQKLPOALIKKDI-SNVBAGLBSA-N 2 2 321.385 -1.812 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105372458 775406851 /nfs/dbraw/zinc/40/68/51/775406851.db2.gz HZQKLPOALIKKDI-SNVBAGLBSA-N 2 2 321.385 -1.812 20 0 DAADLP CN(CC(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1)C(N)=[NH2+] ZINC001268997145 775433566 /nfs/dbraw/zinc/43/35/66/775433566.db2.gz VWWSPRZSTWUGHS-UHFFFAOYSA-N 2 2 305.386 -1.005 20 0 DAADLP CN(CC(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1)C(N)=[NH2+] ZINC001268997145 775433573 /nfs/dbraw/zinc/43/35/73/775433573.db2.gz VWWSPRZSTWUGHS-UHFFFAOYSA-N 2 2 305.386 -1.005 20 0 DAADLP CN(CC(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1)C(N)=[NH2+] ZINC001268997145 775433578 /nfs/dbraw/zinc/43/35/78/775433578.db2.gz VWWSPRZSTWUGHS-UHFFFAOYSA-N 2 2 305.386 -1.005 20 0 DAADLP COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(N)=[NH2+])[C@@H]2C1 ZINC001268997109 775434288 /nfs/dbraw/zinc/43/42/88/775434288.db2.gz VGUYFBGSVXINCM-NWDGAFQWSA-N 2 2 313.402 -1.035 20 0 DAADLP COCCOC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C(N)=[NH2+])[C@@H]2C1 ZINC001268997109 775434296 /nfs/dbraw/zinc/43/42/96/775434296.db2.gz VGUYFBGSVXINCM-NWDGAFQWSA-N 2 2 313.402 -1.035 20 0 DAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270551703 775496603 /nfs/dbraw/zinc/49/66/03/775496603.db2.gz URZWIXYHKWVWEW-SNVBAGLBSA-N 2 2 322.369 -1.154 20 0 DAADLP Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001272530542 775770337 /nfs/dbraw/zinc/77/03/37/775770337.db2.gz WYUYYCIMIPHIBY-ZDUSSCGKSA-N 2 2 306.370 -1.005 20 0 DAADLP Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001272530541 775770615 /nfs/dbraw/zinc/77/06/15/775770615.db2.gz WYUYYCIMIPHIBY-CYBMUJFWSA-N 2 2 306.370 -1.005 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272591351 775785320 /nfs/dbraw/zinc/78/53/20/775785320.db2.gz GUNCBTKDBYXZLO-NXEZZACHSA-N 2 2 309.326 -2.245 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106705081 775795342 /nfs/dbraw/zinc/79/53/42/775795342.db2.gz QQBRGKCLDMXASD-NXEZZACHSA-N 2 2 322.369 -1.169 20 0 DAADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1C ZINC001125213636 775840615 /nfs/dbraw/zinc/84/06/15/775840615.db2.gz JLLPWQPRJCUISB-NSHDSACASA-N 2 2 310.402 -1.086 20 0 DAADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1C ZINC001125213636 775840621 /nfs/dbraw/zinc/84/06/21/775840621.db2.gz JLLPWQPRJCUISB-NSHDSACASA-N 2 2 310.402 -1.086 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001107840021 775879278 /nfs/dbraw/zinc/87/92/78/775879278.db2.gz ZVXNDSNJKYOCFJ-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001107840021 775879285 /nfs/dbraw/zinc/87/92/85/775879285.db2.gz ZVXNDSNJKYOCFJ-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001107840021 775879294 /nfs/dbraw/zinc/87/92/94/775879294.db2.gz ZVXNDSNJKYOCFJ-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001107840021 775879301 /nfs/dbraw/zinc/87/93/01/775879301.db2.gz ZVXNDSNJKYOCFJ-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833077 775973151 /nfs/dbraw/zinc/97/31/51/775973151.db2.gz IICAUZNBVVUQEB-RTXFEEFZSA-N 2 2 312.414 -1.247 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833077 775973158 /nfs/dbraw/zinc/97/31/58/775973158.db2.gz IICAUZNBVVUQEB-RTXFEEFZSA-N 2 2 312.414 -1.247 20 0 DAADLP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001128532995 775983196 /nfs/dbraw/zinc/98/31/96/775983196.db2.gz DAWNELRWNUDMTF-JTQLQIEISA-N 2 2 316.381 -1.006 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128962579 776038742 /nfs/dbraw/zinc/03/87/42/776038742.db2.gz WFLAEKLBADOAJA-NEPJUHHUSA-N 2 2 319.369 -1.032 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128962579 776038750 /nfs/dbraw/zinc/03/87/50/776038750.db2.gz WFLAEKLBADOAJA-NEPJUHHUSA-N 2 2 319.369 -1.032 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081733878 776118426 /nfs/dbraw/zinc/11/84/26/776118426.db2.gz ZXVVWDTUVAEQQE-AAEUAGOBSA-N 2 2 323.397 -1.161 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393881 776135712 /nfs/dbraw/zinc/13/57/12/776135712.db2.gz QHURKTSHSDZWKL-CHWSQXEVSA-N 2 2 324.425 -1.088 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393881 776135715 /nfs/dbraw/zinc/13/57/15/776135715.db2.gz QHURKTSHSDZWKL-CHWSQXEVSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958501 776144338 /nfs/dbraw/zinc/14/43/38/776144338.db2.gz JMMIQJZTHLWLED-AGIUHOORSA-N 2 2 322.409 -1.478 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958501 776144345 /nfs/dbraw/zinc/14/43/45/776144345.db2.gz JMMIQJZTHLWLED-AGIUHOORSA-N 2 2 322.409 -1.478 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958395 776144696 /nfs/dbraw/zinc/14/46/96/776144696.db2.gz CXKVCIGVPNSNEH-NEPJUHHUSA-N 2 2 310.398 -1.668 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958395 776144700 /nfs/dbraw/zinc/14/47/00/776144700.db2.gz CXKVCIGVPNSNEH-NEPJUHHUSA-N 2 2 310.398 -1.668 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959214 776146117 /nfs/dbraw/zinc/14/61/17/776146117.db2.gz MBGVVTFCXZAUEO-AGIUHOORSA-N 2 2 322.409 -1.526 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959214 776146120 /nfs/dbraw/zinc/14/61/20/776146120.db2.gz MBGVVTFCXZAUEO-AGIUHOORSA-N 2 2 322.409 -1.526 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959602 776146316 /nfs/dbraw/zinc/14/63/16/776146316.db2.gz ZYVJNHOGIGGYMB-UTUOFQBUSA-N 2 2 310.398 -1.493 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959602 776146321 /nfs/dbraw/zinc/14/63/21/776146321.db2.gz ZYVJNHOGIGGYMB-UTUOFQBUSA-N 2 2 310.398 -1.493 20 0 DAADLP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001084057504 776160682 /nfs/dbraw/zinc/16/06/82/776160682.db2.gz NKZXFSFPMIPFMN-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001084057504 776160686 /nfs/dbraw/zinc/16/06/86/776160686.db2.gz NKZXFSFPMIPFMN-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001084057595 776161035 /nfs/dbraw/zinc/16/10/35/776161035.db2.gz RNIDQEMSNGIDSY-UPJWGTAASA-N 2 2 310.398 -1.478 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001084057595 776161040 /nfs/dbraw/zinc/16/10/40/776161040.db2.gz RNIDQEMSNGIDSY-UPJWGTAASA-N 2 2 310.398 -1.478 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001084060256 776162715 /nfs/dbraw/zinc/16/27/15/776162715.db2.gz OWQOSEHRWYPLDW-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001084060256 776162718 /nfs/dbraw/zinc/16/27/18/776162718.db2.gz OWQOSEHRWYPLDW-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058210 776163319 /nfs/dbraw/zinc/16/33/19/776163319.db2.gz PGNWJFFNOWGZFH-XQQFMLRXSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058210 776163322 /nfs/dbraw/zinc/16/33/22/776163322.db2.gz PGNWJFFNOWGZFH-XQQFMLRXSA-N 2 2 312.414 -1.280 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910903 776194210 /nfs/dbraw/zinc/19/42/10/776194210.db2.gz HIVLADKCRLNRET-RDBSUJKOSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910903 776194214 /nfs/dbraw/zinc/19/42/14/776194214.db2.gz HIVLADKCRLNRET-RDBSUJKOSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910903 776194218 /nfs/dbraw/zinc/19/42/18/776194218.db2.gz HIVLADKCRLNRET-RDBSUJKOSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910903 776194220 /nfs/dbraw/zinc/19/42/20/776194220.db2.gz HIVLADKCRLNRET-RDBSUJKOSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969126 776207022 /nfs/dbraw/zinc/20/70/22/776207022.db2.gz GOUMIJSKHOMCJG-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969126 776207032 /nfs/dbraw/zinc/20/70/32/776207032.db2.gz GOUMIJSKHOMCJG-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986316 776216664 /nfs/dbraw/zinc/21/66/64/776216664.db2.gz IWOYSBLYJTWVMR-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986316 776216671 /nfs/dbraw/zinc/21/66/71/776216671.db2.gz IWOYSBLYJTWVMR-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074704 776260297 /nfs/dbraw/zinc/26/02/97/776260297.db2.gz RBIZNUVOVUPZDY-OLZOCXBDSA-N 2 2 324.425 -1.230 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074704 776260303 /nfs/dbraw/zinc/26/03/03/776260303.db2.gz RBIZNUVOVUPZDY-OLZOCXBDSA-N 2 2 324.425 -1.230 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410696 776282335 /nfs/dbraw/zinc/28/23/35/776282335.db2.gz TXIMNKWKBSRHAL-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410696 776282340 /nfs/dbraw/zinc/28/23/40/776282340.db2.gz TXIMNKWKBSRHAL-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108410696 776282346 /nfs/dbraw/zinc/28/23/46/776282346.db2.gz TXIMNKWKBSRHAL-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108410696 776282351 /nfs/dbraw/zinc/28/23/51/776282351.db2.gz TXIMNKWKBSRHAL-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP NS(=O)(=O)Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169072964 776284907 /nfs/dbraw/zinc/28/49/07/776284907.db2.gz VYBZTFRHBDJZGG-SNVBAGLBSA-N 2 2 311.367 -1.082 20 0 DAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001169066471 776285283 /nfs/dbraw/zinc/28/52/83/776285283.db2.gz DVEUYDBFQXLMHC-LLVKDONJSA-N 3 2 303.370 -1.066 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001169211304 776286406 /nfs/dbraw/zinc/28/64/06/776286406.db2.gz CNBAWAKWTMBKJI-UHFFFAOYSA-N 2 2 308.342 -1.400 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001169204455 776287244 /nfs/dbraw/zinc/28/72/44/776287244.db2.gz KHGYGJUICNYVEI-UHFFFAOYSA-N 2 2 309.370 -1.093 20 0 DAADLP CC[C@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108553283 776302587 /nfs/dbraw/zinc/30/25/87/776302587.db2.gz JLCOCPMBPKQENA-WCQYABFASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108553282 776302660 /nfs/dbraw/zinc/30/26/60/776302660.db2.gz JLCOCPMBPKQENA-DGCLKSJQSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108580266 776309546 /nfs/dbraw/zinc/30/95/46/776309546.db2.gz FCTFQTQAJSFUHW-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109673103 776340599 /nfs/dbraw/zinc/34/05/99/776340599.db2.gz CYFVLGCDNNZIBA-VWYCJHECSA-N 2 2 311.386 -1.146 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109673103 776340608 /nfs/dbraw/zinc/34/06/08/776340608.db2.gz CYFVLGCDNNZIBA-VWYCJHECSA-N 2 2 311.386 -1.146 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090434122 776345643 /nfs/dbraw/zinc/34/56/43/776345643.db2.gz VIRVDQRQLGTNTA-VXGBXAGGSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090434122 776345653 /nfs/dbraw/zinc/34/56/53/776345653.db2.gz VIRVDQRQLGTNTA-VXGBXAGGSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090434117 776346880 /nfs/dbraw/zinc/34/68/80/776346880.db2.gz VIRVDQRQLGTNTA-NEPJUHHUSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090434117 776346891 /nfs/dbraw/zinc/34/68/91/776346891.db2.gz VIRVDQRQLGTNTA-NEPJUHHUSA-N 2 2 309.370 -1.511 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435967 776348633 /nfs/dbraw/zinc/34/86/33/776348633.db2.gz LRHVIDZVGXKISG-OLZOCXBDSA-N 2 2 317.349 -1.015 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435967 776348645 /nfs/dbraw/zinc/34/86/45/776348645.db2.gz LRHVIDZVGXKISG-OLZOCXBDSA-N 2 2 317.349 -1.015 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435966 776348720 /nfs/dbraw/zinc/34/87/20/776348720.db2.gz LRHVIDZVGXKISG-CHWSQXEVSA-N 2 2 317.349 -1.015 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435966 776348731 /nfs/dbraw/zinc/34/87/31/776348731.db2.gz LRHVIDZVGXKISG-CHWSQXEVSA-N 2 2 317.349 -1.015 20 0 DAADLP COC[C@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432056 776407254 /nfs/dbraw/zinc/40/72/54/776407254.db2.gz IPRCFZAMSZMRGE-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853688 776469410 /nfs/dbraw/zinc/46/94/10/776469410.db2.gz KUGBOOKPSISQHH-NSHDSACASA-N 2 2 305.338 -1.350 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001129901070 776485745 /nfs/dbraw/zinc/48/57/45/776485745.db2.gz QOSZZGWMDOPNKZ-IWSPIJDZSA-N 2 2 308.342 -1.198 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182614 776497197 /nfs/dbraw/zinc/49/71/97/776497197.db2.gz PILISUYCFQRDQL-OUAUKWLOSA-N 2 2 311.390 -1.304 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182614 776497201 /nfs/dbraw/zinc/49/72/01/776497201.db2.gz PILISUYCFQRDQL-OUAUKWLOSA-N 2 2 311.390 -1.304 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403680 776508258 /nfs/dbraw/zinc/50/82/58/776508258.db2.gz AFGKMIMJOIXGAE-JQWIXIFHSA-N 2 2 319.365 -1.044 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481223 776512433 /nfs/dbraw/zinc/51/24/33/776512433.db2.gz NGXJYDOOBQJMSI-MNOVXSKESA-N 2 2 319.365 -1.044 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC(N)=O ZINC001130480686 776513121 /nfs/dbraw/zinc/51/31/21/776513121.db2.gz AEPPUEAPWUEQKY-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477768 776513250 /nfs/dbraw/zinc/51/32/50/776513250.db2.gz KOARACHGFTXPMY-VIFPVBQESA-N 2 2 308.342 -1.654 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)NC(N)=O ZINC001130487930 776513461 /nfs/dbraw/zinc/51/34/61/776513461.db2.gz LFKORDOSOHUQBU-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477767 776513599 /nfs/dbraw/zinc/51/35/99/776513599.db2.gz KOARACHGFTXPMY-SECBINFHSA-N 2 2 308.342 -1.654 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488683 776515063 /nfs/dbraw/zinc/51/50/63/776515063.db2.gz UPAQIUSWUSXFLS-PWSUYJOCSA-N 2 2 319.365 -1.044 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001157999475 776520614 /nfs/dbraw/zinc/52/06/14/776520614.db2.gz ROTYESJPOIQMAW-FZMZJTMJSA-N 2 2 310.354 -1.142 20 0 DAADLP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O)[NH+]1CCCC1 ZINC001090489500 776525981 /nfs/dbraw/zinc/52/59/81/776525981.db2.gz MYJTVDBYBVJSHV-VXGBXAGGSA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O)[NH+]1CCCC1 ZINC001090489500 776525983 /nfs/dbraw/zinc/52/59/83/776525983.db2.gz MYJTVDBYBVJSHV-VXGBXAGGSA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001131396979 776569741 /nfs/dbraw/zinc/56/97/41/776569741.db2.gz NJVNXKLKDPLEIQ-UHFFFAOYSA-N 2 2 314.430 -1.031 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001131396979 776569749 /nfs/dbraw/zinc/56/97/49/776569749.db2.gz NJVNXKLKDPLEIQ-UHFFFAOYSA-N 2 2 314.430 -1.031 20 0 DAADLP CC(C)[NH+](C)CC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131396979 776569756 /nfs/dbraw/zinc/56/97/56/776569756.db2.gz NJVNXKLKDPLEIQ-UHFFFAOYSA-N 2 2 314.430 -1.031 20 0 DAADLP CC(C)[NH+](C)CC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131396979 776569764 /nfs/dbraw/zinc/56/97/64/776569764.db2.gz NJVNXKLKDPLEIQ-UHFFFAOYSA-N 2 2 314.430 -1.031 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424554 776570141 /nfs/dbraw/zinc/57/01/41/776570141.db2.gz WAZNHDVUPAJHJG-UHFFFAOYSA-N 2 2 322.369 -1.337 20 0 DAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001131822888 776592166 /nfs/dbraw/zinc/59/21/66/776592166.db2.gz XBZUWOHFBOBVDE-GFCCVEGCSA-N 2 2 300.403 -1.061 20 0 DAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001131822888 776592171 /nfs/dbraw/zinc/59/21/71/776592171.db2.gz XBZUWOHFBOBVDE-GFCCVEGCSA-N 2 2 300.403 -1.061 20 0 DAADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131821487 776592529 /nfs/dbraw/zinc/59/25/29/776592529.db2.gz AIVSPSLRWRTZMH-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131821487 776592534 /nfs/dbraw/zinc/59/25/34/776592534.db2.gz AIVSPSLRWRTZMH-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001132858715 776643416 /nfs/dbraw/zinc/64/34/16/776643416.db2.gz GGHPCEPKUPBXNG-LLVKDONJSA-N 2 2 311.390 -1.475 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001132858715 776643419 /nfs/dbraw/zinc/64/34/19/776643419.db2.gz GGHPCEPKUPBXNG-LLVKDONJSA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NC(N)=O ZINC001134046190 776688661 /nfs/dbraw/zinc/68/86/61/776688661.db2.gz UHZSHDCYUNUSLA-IVZWLZJFSA-N 2 2 322.369 -1.187 20 0 DAADLP CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134400352 776702542 /nfs/dbraw/zinc/70/25/42/776702542.db2.gz LSMZYAFZZPWTPZ-UHFFFAOYSA-N 2 2 322.369 -1.012 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001134393526 776702642 /nfs/dbraw/zinc/70/26/42/776702642.db2.gz OIDMYCPYXZEVCT-UHFFFAOYSA-N 2 2 315.399 -1.307 20 0 DAADLP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397450 776702817 /nfs/dbraw/zinc/70/28/17/776702817.db2.gz NKBRCLAHPXPLBS-UHFFFAOYSA-N 2 2 317.415 -1.061 20 0 DAADLP CN(CC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001134393043 776703144 /nfs/dbraw/zinc/70/31/44/776703144.db2.gz HMKDEIJGGXPPFI-UHFFFAOYSA-N 2 2 303.388 -1.451 20 0 DAADLP COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396677 776703258 /nfs/dbraw/zinc/70/32/58/776703258.db2.gz CSLGHLYJTKSJRZ-LBPRGKRZSA-N 2 2 300.359 -1.318 20 0 DAADLP Cn1c(=O)cc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)n(C)c1=O ZINC001134399474 776703598 /nfs/dbraw/zinc/70/35/98/776703598.db2.gz AKGFUULJQVFESF-UHFFFAOYSA-N 2 2 320.353 -1.744 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135080340 776734432 /nfs/dbraw/zinc/73/44/32/776734432.db2.gz QTSKVBSRTOLLRN-JTQLQIEISA-N 2 2 322.369 -1.154 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135080340 776734443 /nfs/dbraw/zinc/73/44/43/776734443.db2.gz QTSKVBSRTOLLRN-JTQLQIEISA-N 2 2 322.369 -1.154 20 0 DAADLP CN(CC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)S(C)(=O)=O ZINC001135755482 776768616 /nfs/dbraw/zinc/76/86/16/776768616.db2.gz OUPPZTPGBMZCID-UHFFFAOYSA-N 2 2 303.388 -1.451 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001135754467 776769038 /nfs/dbraw/zinc/76/90/38/776769038.db2.gz CTTBIFNZTSKJRL-UHFFFAOYSA-N 2 2 315.399 -1.307 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001135758055 776769490 /nfs/dbraw/zinc/76/94/90/776769490.db2.gz WVZBIZTYLFSGBE-JTQLQIEISA-N 2 2 323.353 -1.832 20 0 DAADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760576 776771470 /nfs/dbraw/zinc/77/14/70/776771470.db2.gz OIRPRHJYPLLFDM-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090672967 776818371 /nfs/dbraw/zinc/81/83/71/776818371.db2.gz HPBIPPVBBHNXHH-STQMWFEESA-N 2 2 312.414 -1.245 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090672967 776818381 /nfs/dbraw/zinc/81/83/81/776818381.db2.gz HPBIPPVBBHNXHH-STQMWFEESA-N 2 2 312.414 -1.245 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090734821 776837667 /nfs/dbraw/zinc/83/76/67/776837667.db2.gz QKSMNLSBKZTBFO-YPMHNXCESA-N 2 2 321.381 -1.202 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090734821 776837674 /nfs/dbraw/zinc/83/76/74/776837674.db2.gz QKSMNLSBKZTBFO-YPMHNXCESA-N 2 2 321.381 -1.202 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811597 776853001 /nfs/dbraw/zinc/85/30/01/776853001.db2.gz CLEQVGMZVWTNFL-QWHCGFSZSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811597 776853012 /nfs/dbraw/zinc/85/30/12/776853012.db2.gz CLEQVGMZVWTNFL-QWHCGFSZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C)[C@H](CO)C2)C[C@H]1CO ZINC001119821247 779513367 /nfs/dbraw/zinc/51/33/67/779513367.db2.gz NYHPLQWVOODSSG-HFZJXRFXSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@H+](C)[C@H](CO)C2)C[C@H]1CO ZINC001119821247 779513376 /nfs/dbraw/zinc/51/33/76/779513376.db2.gz NYHPLQWVOODSSG-HFZJXRFXSA-N 2 2 312.458 -1.241 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001151156625 779672411 /nfs/dbraw/zinc/67/24/11/779672411.db2.gz FMRMEKUVBDCLMP-LBPRGKRZSA-N 2 2 310.402 -1.011 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001151156508 779673634 /nfs/dbraw/zinc/67/36/34/779673634.db2.gz DYQRKBWFVOEILG-LBPRGKRZSA-N 2 2 310.402 -1.011 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001151736893 779682161 /nfs/dbraw/zinc/68/21/61/779682161.db2.gz AKIQJKVOIYWSET-MNOVXSKESA-N 2 2 311.390 -1.302 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001151736893 779682167 /nfs/dbraw/zinc/68/21/67/779682167.db2.gz AKIQJKVOIYWSET-MNOVXSKESA-N 2 2 311.390 -1.302 20 0 DAADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1cccnc1 ZINC001152617904 779695698 /nfs/dbraw/zinc/69/56/98/779695698.db2.gz FHXIUTJWBPDXIF-GFCCVEGCSA-N 2 2 322.369 -1.415 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001153356623 779702470 /nfs/dbraw/zinc/70/24/70/779702470.db2.gz UWWLWEAAOWMSOX-SNVBAGLBSA-N 2 2 310.358 -1.048 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001153350539 779703181 /nfs/dbraw/zinc/70/31/81/779703181.db2.gz AXJHPKTXYMKGCN-UHFFFAOYSA-N 2 2 322.369 -1.079 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001153495900 779704559 /nfs/dbraw/zinc/70/45/59/779704559.db2.gz QUHKMDCSEPVTIV-UHFFFAOYSA-N 2 2 315.399 -1.376 20 0 DAADLP CS(=O)(=O)c1nc2c(c(NOCC[NH3+])n1)CC[NH2+]CC2 ZINC001156284997 779740371 /nfs/dbraw/zinc/74/03/71/779740371.db2.gz BOOKZOQGOUTIGO-UHFFFAOYSA-N 2 2 301.372 -1.130 20 0 DAADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)c1nnnn1C ZINC001156146516 779740723 /nfs/dbraw/zinc/74/07/23/779740723.db2.gz ZZGVPRDKEUMDTD-WDEREUQCSA-N 2 2 311.390 -1.302 20 0 DAADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1nnnn1C ZINC001156146516 779740729 /nfs/dbraw/zinc/74/07/29/779740729.db2.gz ZZGVPRDKEUMDTD-WDEREUQCSA-N 2 2 311.390 -1.302 20 0 DAADLP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)N1CCCC1 ZINC001157380141 779753303 /nfs/dbraw/zinc/75/33/03/779753303.db2.gz WYRQNLCGLATLRW-AGIUHOORSA-N 3 2 311.430 -1.088 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1[nH+]ccn1C ZINC001157424107 779754423 /nfs/dbraw/zinc/75/44/23/779754423.db2.gz VZVHKHVBSNJODZ-IUCAKERBSA-N 2 2 310.358 -2.214 20 0 DAADLP O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157496985 779755978 /nfs/dbraw/zinc/75/59/78/779755978.db2.gz LNTNVOVSGMCLLP-DVOMOZLQSA-N 2 2 322.409 -1.212 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)N(C)C[C@@H]1C[NH2+]CCO1)C[NH2+]C2 ZINC001157717150 779757730 /nfs/dbraw/zinc/75/77/30/779757730.db2.gz XCOORSHGDOODCX-WDEREUQCSA-N 2 2 308.386 -1.068 20 0 DAADLP [NH3+]Cc1ncn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)n1 ZINC001157928530 779761424 /nfs/dbraw/zinc/76/14/24/779761424.db2.gz QYQKEWONFNSKTB-UHFFFAOYSA-N 2 2 302.342 -1.044 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])C(=O)OC ZINC001157999252 779763758 /nfs/dbraw/zinc/76/37/58/779763758.db2.gz PKXVHEZUCULZMA-UWVGGRQHSA-N 2 2 301.343 -1.370 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157998504 779763790 /nfs/dbraw/zinc/76/37/90/779763790.db2.gz GMURXNNJURBTPD-ZJUUUORDSA-N 2 2 315.374 -1.874 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001157998808 779763945 /nfs/dbraw/zinc/76/39/45/779763945.db2.gz HVUQMXWGSWBUBF-QDDONVENSA-N 2 2 305.400 -1.554 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001157998933 779764045 /nfs/dbraw/zinc/76/40/45/779764045.db2.gz KVDXUNLWPXVBGV-KOLCDFICSA-N 2 2 310.354 -2.172 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cnn2c1C[NH2+]CC2 ZINC001158013641 779764635 /nfs/dbraw/zinc/76/46/35/779764635.db2.gz HEASJUWVMYDBKR-LBPRGKRZSA-N 2 2 307.354 -1.037 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157999081 779764704 /nfs/dbraw/zinc/76/47/04/779764704.db2.gz NWJJNZQTLGQJQI-WDEREUQCSA-N 2 2 312.370 -2.320 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102586 779766866 /nfs/dbraw/zinc/76/68/66/779766866.db2.gz UJNZOZLGQRKQJI-WFASDCNBSA-N 3 2 324.429 -2.573 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102579 779767101 /nfs/dbraw/zinc/76/71/01/779767101.db2.gz UJNZOZLGQRKQJI-DOMZBBRYSA-N 3 2 324.429 -2.573 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC001158101223 779767328 /nfs/dbraw/zinc/76/73/28/779767328.db2.gz HTNZYMQJZAMELV-ZIBATOQPSA-N 2 2 324.381 -1.782 20 0 DAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158112508 779768100 /nfs/dbraw/zinc/76/81/00/779768100.db2.gz YYRVAZSOBJUXHR-BBRMVZONSA-N 3 2 317.393 -1.051 20 0 DAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158112510 779768429 /nfs/dbraw/zinc/76/84/29/779768429.db2.gz YYRVAZSOBJUXHR-CZUORRHYSA-N 3 2 317.393 -1.051 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111499 779768599 /nfs/dbraw/zinc/76/85/99/779768599.db2.gz ONUQVUBQIWAHHH-NHYWBVRUSA-N 3 2 318.381 -1.782 20 0 DAADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111604 779768916 /nfs/dbraw/zinc/76/89/16/779768916.db2.gz PBBXVABUSIIYAM-CQSZACIVSA-N 2 2 304.354 -1.641 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120719 779769906 /nfs/dbraw/zinc/76/99/06/779769906.db2.gz POONEHAODYDWGL-PVTKRXDGSA-N 3 2 319.409 -2.126 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120715 779770172 /nfs/dbraw/zinc/77/01/72/779770172.db2.gz POONEHAODYDWGL-OVZMXSCWSA-N 3 2 319.409 -2.126 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158487213 779777031 /nfs/dbraw/zinc/77/70/31/779777031.db2.gz WVWFGOZAYAYMCX-NWDGAFQWSA-N 2 2 323.401 -1.331 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158487213 779777035 /nfs/dbraw/zinc/77/70/35/779777035.db2.gz WVWFGOZAYAYMCX-NWDGAFQWSA-N 2 2 323.401 -1.331 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158495625 779777265 /nfs/dbraw/zinc/77/72/65/779777265.db2.gz AGCPDJBMZAFALY-SMTWKSNJSA-N 3 2 322.409 -1.310 20 0 DAADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001158605355 779777637 /nfs/dbraw/zinc/77/76/37/779777637.db2.gz WVCHMKAEHJHUNL-CQSZACIVSA-N 3 2 313.446 -1.473 20 0 DAADLP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158535564 779778202 /nfs/dbraw/zinc/77/82/02/779778202.db2.gz XNBICDIOIYTWIS-GLKFPVFTSA-N 3 2 306.410 -1.083 20 0 DAADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001158890740 779782227 /nfs/dbraw/zinc/78/22/27/779782227.db2.gz LRQGIIFMXPJGAJ-STQMWFEESA-N 3 2 323.441 -1.264 20 0 DAADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001158890740 779782232 /nfs/dbraw/zinc/78/22/32/779782232.db2.gz LRQGIIFMXPJGAJ-STQMWFEESA-N 3 2 323.441 -1.264 20 0 DAADLP N[C@@H](C[NH3+])C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515226 779794129 /nfs/dbraw/zinc/79/41/29/779794129.db2.gz QPRKAOJMZFTTDD-JTQLQIEISA-N 2 2 304.358 -1.459 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001159725383 779795792 /nfs/dbraw/zinc/79/57/92/779795792.db2.gz IBROSHYIFFINOI-CYBMUJFWSA-N 2 2 310.398 -1.059 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001159725383 779795798 /nfs/dbraw/zinc/79/57/98/779795798.db2.gz IBROSHYIFFINOI-CYBMUJFWSA-N 2 2 310.398 -1.059 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001159725383 779795804 /nfs/dbraw/zinc/79/58/04/779795804.db2.gz IBROSHYIFFINOI-CYBMUJFWSA-N 2 2 310.398 -1.059 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001159725383 779795807 /nfs/dbraw/zinc/79/58/07/779795807.db2.gz IBROSHYIFFINOI-CYBMUJFWSA-N 2 2 310.398 -1.059 20 0 DAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2 ZINC001160174282 779801463 /nfs/dbraw/zinc/80/14/63/779801463.db2.gz TXZTXTIAOLWVLY-MJVIPROJSA-N 2 2 309.370 -2.375 20 0 DAADLP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160438879 779806033 /nfs/dbraw/zinc/80/60/33/779806033.db2.gz CRDUQBBWPLUWDQ-CZFOOCMKSA-N 2 2 324.381 -1.512 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160484798 779808073 /nfs/dbraw/zinc/80/80/73/779808073.db2.gz DWQIDFRLNDPKEN-CJNGLKHVSA-N 2 2 323.441 -1.393 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC001160505799 779809673 /nfs/dbraw/zinc/80/96/73/779809673.db2.gz GKKQLEYRQGRIJM-AVGNSLFASA-N 2 2 310.398 -1.085 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC001160505800 779809828 /nfs/dbraw/zinc/80/98/28/779809828.db2.gz GKKQLEYRQGRIJM-FRRDWIJNSA-N 2 2 310.398 -1.085 20 0 DAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160584768 779810971 /nfs/dbraw/zinc/81/09/71/779810971.db2.gz GHHSETFBMSZFPB-NEPJUHHUSA-N 2 2 318.443 -1.746 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160636231 779813684 /nfs/dbraw/zinc/81/36/84/779813684.db2.gz PDHIRSDOBZTFND-ZDUSSCGKSA-N 2 2 320.397 -1.725 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C2)CC1=O ZINC001160636668 779813769 /nfs/dbraw/zinc/81/37/69/779813769.db2.gz QFRRXSJNRLQFOO-WCFLWFBJSA-N 2 2 307.398 -2.079 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C2)CC1=O ZINC001160636032 779814002 /nfs/dbraw/zinc/81/40/02/779814002.db2.gz OKCTXNXZBYMFQN-IAQYHMDHSA-N 2 2 307.398 -2.077 20 0 DAADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CCS(=O)(=O)CC1 ZINC001160718581 779816227 /nfs/dbraw/zinc/81/62/27/779816227.db2.gz MARIQDXAEUHIAW-MFKMUULPSA-N 2 2 301.412 -1.027 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC(OCC(=O)NC3CC3)CC2)C1 ZINC001160742856 779817230 /nfs/dbraw/zinc/81/72/30/779817230.db2.gz RCDPQSMNCBQDHC-GWCFXTLKSA-N 2 2 310.398 -1.038 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772325 779818824 /nfs/dbraw/zinc/81/88/24/779818824.db2.gz QUAQMMKRHRWUSA-LBPRGKRZSA-N 2 2 321.381 -1.203 20 0 DAADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001160840342 779821478 /nfs/dbraw/zinc/82/14/78/779821478.db2.gz YWNOFPHVHYLAQJ-UHFFFAOYSA-N 2 2 323.353 -1.077 20 0 DAADLP COC(=O)c1cn2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160902069 779822697 /nfs/dbraw/zinc/82/26/97/779822697.db2.gz KYUQZEXXVSEXSV-BONVTDFDSA-N 2 2 319.365 -1.037 20 0 DAADLP COC(=O)c1cn2c(n1)CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160902070 779823110 /nfs/dbraw/zinc/82/31/10/779823110.db2.gz KYUQZEXXVSEXSV-MEBBXXQBSA-N 2 2 319.365 -1.037 20 0 DAADLP O=C(N1CCN(c2ncc(O)cn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161082127 779824906 /nfs/dbraw/zinc/82/49/06/779824906.db2.gz LUPDAXGLWTVVOS-IAQYHMDHSA-N 2 2 318.381 -1.218 20 0 DAADLP COc1cc(N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)ncn1 ZINC001161093784 779826469 /nfs/dbraw/zinc/82/64/69/779826469.db2.gz XBFIFHQYTVTNOF-QWRGUYRKSA-N 2 2 306.370 -1.320 20 0 DAADLP O=C(N1CCN(c2ncc(O)cn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161082129 779826481 /nfs/dbraw/zinc/82/64/81/779826481.db2.gz LUPDAXGLWTVVOS-XHDPSFHLSA-N 2 2 318.381 -1.218 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161139639 779827879 /nfs/dbraw/zinc/82/78/79/779827879.db2.gz ZMDRLYSLVHATHE-BXUZGUMPSA-N 3 2 313.402 -2.160 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]([NH3+])(C(=O)OC)C1 ZINC001161138985 779827935 /nfs/dbraw/zinc/82/79/35/779827935.db2.gz IQLYLFDAJYOKQM-GPCCPHFNSA-N 2 2 313.354 -1.512 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001161138199 779828681 /nfs/dbraw/zinc/82/86/81/779828681.db2.gz PEWDTGUFNVSHNV-IINYFYTJSA-N 2 2 312.370 -1.571 20 0 DAADLP O=C(N1CCN(c2ncncn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161247586 779832672 /nfs/dbraw/zinc/83/26/72/779832672.db2.gz JGHKINCULIDJBI-BXUZGUMPSA-N 2 2 303.370 -1.528 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCN1C(C)=O ZINC001161296072 779834243 /nfs/dbraw/zinc/83/42/43/779834243.db2.gz OSSRMIWGNOUILQ-RVMXOQNASA-N 2 2 324.381 -1.831 20 0 DAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC001161376549 779834314 /nfs/dbraw/zinc/83/43/14/779834314.db2.gz AOWFYNZDSXKZPC-CYBMUJFWSA-N 3 2 309.414 -1.558 20 0 DAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C2)CC1 ZINC001161377239 779834476 /nfs/dbraw/zinc/83/44/76/779834476.db2.gz GGQQCAWEKDBMAB-JGGQBBKZSA-N 3 2 307.442 -1.038 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161477002 779839285 /nfs/dbraw/zinc/83/92/85/779839285.db2.gz GCAOQCJPUONXGK-BHDSKKPTSA-N 2 2 313.354 -1.370 20 0 DAADLP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001161603273 779843473 /nfs/dbraw/zinc/84/34/73/779843473.db2.gz AOQYMEVVERPHLP-WPRPVWTQSA-N 2 2 307.354 -1.014 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162437239 779854014 /nfs/dbraw/zinc/85/40/14/779854014.db2.gz SXIJTLAQRDAJNS-IQJOONFLSA-N 2 2 310.793 -1.727 20 0 DAADLP [NH3+][C@@H]1NCN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@H]2NCN[C@@H]21 ZINC001162438393 779855217 /nfs/dbraw/zinc/85/52/17/779855217.db2.gz YCJGNNJOAGIFID-FXPVBKGRSA-N 2 2 310.793 -1.727 20 0 DAADLP Cn1[nH]c(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)nc1=O ZINC001163588526 779868949 /nfs/dbraw/zinc/86/89/49/779868949.db2.gz LAFDWQONSTVELJ-UHFFFAOYSA-N 2 2 307.358 -1.009 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCCO ZINC001165732333 779887868 /nfs/dbraw/zinc/88/78/68/779887868.db2.gz ZASSEDYNVZYMCM-ZDUSSCGKSA-N 2 2 311.386 -1.065 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCCO ZINC001165732333 779887872 /nfs/dbraw/zinc/88/78/72/779887872.db2.gz ZASSEDYNVZYMCM-ZDUSSCGKSA-N 2 2 311.386 -1.065 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683842 779911032 /nfs/dbraw/zinc/91/10/32/779911032.db2.gz QBQMWJRYYLUQOK-UHFFFAOYSA-N 2 2 322.369 -1.025 20 0 DAADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739922 779911290 /nfs/dbraw/zinc/91/12/90/779911290.db2.gz WSWIRRZIESHKIH-MGPQQGTHSA-N 2 2 315.414 -1.238 20 0 DAADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739922 779911294 /nfs/dbraw/zinc/91/12/94/779911294.db2.gz WSWIRRZIESHKIH-MGPQQGTHSA-N 2 2 315.414 -1.238 20 0 DAADLP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001206739922 779911300 /nfs/dbraw/zinc/91/13/00/779911300.db2.gz WSWIRRZIESHKIH-MGPQQGTHSA-N 2 2 315.414 -1.238 20 0 DAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032217 779966978 /nfs/dbraw/zinc/96/69/78/779966978.db2.gz VITGUFXZBBSOJH-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032217 779966981 /nfs/dbraw/zinc/96/69/81/779966981.db2.gz VITGUFXZBBSOJH-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001213265268 779973880 /nfs/dbraw/zinc/97/38/80/779973880.db2.gz YUVPODSWDLWLDX-REWJHTLYSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001213265268 779973885 /nfs/dbraw/zinc/97/38/85/779973885.db2.gz YUVPODSWDLWLDX-REWJHTLYSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001213265268 779973888 /nfs/dbraw/zinc/97/38/88/779973888.db2.gz YUVPODSWDLWLDX-REWJHTLYSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001213265268 779973894 /nfs/dbraw/zinc/97/38/94/779973894.db2.gz YUVPODSWDLWLDX-REWJHTLYSA-N 2 2 315.414 -1.097 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376871 779977201 /nfs/dbraw/zinc/97/72/01/779977201.db2.gz LFDUZKLIIWQPKO-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376871 779977207 /nfs/dbraw/zinc/97/72/07/779977207.db2.gz LFDUZKLIIWQPKO-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581200 779981574 /nfs/dbraw/zinc/98/15/74/779981574.db2.gz QAQVWXPVYNLEGC-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581200 779981576 /nfs/dbraw/zinc/98/15/76/779981576.db2.gz QAQVWXPVYNLEGC-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977424 779986566 /nfs/dbraw/zinc/98/65/66/779986566.db2.gz CIFQHGHIXHWPOI-YNEHKIRRSA-N 2 2 312.370 -1.294 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977424 779986569 /nfs/dbraw/zinc/98/65/69/779986569.db2.gz CIFQHGHIXHWPOI-YNEHKIRRSA-N 2 2 312.370 -1.294 20 0 DAADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214531296 779997504 /nfs/dbraw/zinc/99/75/04/779997504.db2.gz WUONTNBAAXZYAO-NXEZZACHSA-N 2 2 322.369 -1.026 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218668629 780038416 /nfs/dbraw/zinc/03/84/16/780038416.db2.gz FUKWRLMMCGUIOR-CHWSQXEVSA-N 2 2 309.370 -1.266 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218669825 780039873 /nfs/dbraw/zinc/03/98/73/780039873.db2.gz XSNBVDYAMLFUSF-CHWSQXEVSA-N 2 2 309.370 -1.123 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001219068788 780045035 /nfs/dbraw/zinc/04/50/35/780045035.db2.gz IZBMNZWXEFBCMB-UONOGXRCSA-N 2 2 324.381 -1.196 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001219068788 780045044 /nfs/dbraw/zinc/04/50/44/780045044.db2.gz IZBMNZWXEFBCMB-UONOGXRCSA-N 2 2 324.381 -1.196 20 0 DAADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411686 780092560 /nfs/dbraw/zinc/09/25/60/780092560.db2.gz SYOBMTSPDIVTRH-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411686 780092564 /nfs/dbraw/zinc/09/25/64/780092564.db2.gz SYOBMTSPDIVTRH-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411686 780092566 /nfs/dbraw/zinc/09/25/66/780092566.db2.gz SYOBMTSPDIVTRH-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411686 780092570 /nfs/dbraw/zinc/09/25/70/780092570.db2.gz SYOBMTSPDIVTRH-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219413880 780095759 /nfs/dbraw/zinc/09/57/59/780095759.db2.gz JCJYZJLPEDLCFL-RDBSUJKOSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219413880 780095769 /nfs/dbraw/zinc/09/57/69/780095769.db2.gz JCJYZJLPEDLCFL-RDBSUJKOSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219413880 780095777 /nfs/dbraw/zinc/09/57/77/780095777.db2.gz JCJYZJLPEDLCFL-RDBSUJKOSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219413880 780095784 /nfs/dbraw/zinc/09/57/84/780095784.db2.gz JCJYZJLPEDLCFL-RDBSUJKOSA-N 2 2 315.414 -1.097 20 0 DAADLP Cn1c[nH+]c(CCNC(=O)CN(CC[NH3+])S(C)(=O)=O)c1 ZINC001219634344 780128628 /nfs/dbraw/zinc/12/86/28/780128628.db2.gz VAZZRPQAZDMBQM-UHFFFAOYSA-N 2 2 303.388 -1.701 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219695743 780136743 /nfs/dbraw/zinc/13/67/43/780136743.db2.gz XMIYEZXVERXEJC-LOWVWBTDSA-N 2 2 300.403 -1.077 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219695743 780136746 /nfs/dbraw/zinc/13/67/46/780136746.db2.gz XMIYEZXVERXEJC-LOWVWBTDSA-N 2 2 300.403 -1.077 20 0 DAADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219746933 780141257 /nfs/dbraw/zinc/14/12/57/780141257.db2.gz ORVCYRUCIPQOQT-SNVBAGLBSA-N 2 2 304.358 -1.319 20 0 DAADLP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001219745729 780141744 /nfs/dbraw/zinc/14/17/44/780141744.db2.gz AFYAHAOGQWHBGH-NSHDSACASA-N 2 2 316.369 -1.071 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219747773 780141846 /nfs/dbraw/zinc/14/18/46/780141846.db2.gz YKGJWOFUTIKABS-ZETCQYMHSA-N 2 2 306.334 -2.529 20 0 DAADLP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1nnn2c1C[NH2+]CC2 ZINC001219769477 780147051 /nfs/dbraw/zinc/14/70/51/780147051.db2.gz XLIAEEMGOKELBS-MNOVXSKESA-N 2 2 305.386 -1.595 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793138 780148081 /nfs/dbraw/zinc/14/80/81/780148081.db2.gz AEYHPYFBTJLNSK-UHFFFAOYSA-N 3 2 323.441 -1.249 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802391 780148154 /nfs/dbraw/zinc/14/81/54/780148154.db2.gz LYJZQIVGRIMWNC-TUAOUCFPSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802391 780148159 /nfs/dbraw/zinc/14/81/59/780148159.db2.gz LYJZQIVGRIMWNC-TUAOUCFPSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802392 780148646 /nfs/dbraw/zinc/14/86/46/780148646.db2.gz LYJZQIVGRIMWNC-UTUOFQBUSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802392 780148651 /nfs/dbraw/zinc/14/86/51/780148651.db2.gz LYJZQIVGRIMWNC-UTUOFQBUSA-N 2 2 312.414 -1.234 20 0 DAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001219803658 780148877 /nfs/dbraw/zinc/14/88/77/780148877.db2.gz CKNKXFIVBAIJSD-IPYPFGDCSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CC1 ZINC001219803658 780148882 /nfs/dbraw/zinc/14/88/82/780148882.db2.gz CKNKXFIVBAIJSD-IPYPFGDCSA-N 2 2 324.425 -1.280 20 0 DAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CCC1=O ZINC001219806248 780150430 /nfs/dbraw/zinc/15/04/30/780150430.db2.gz PHNRNYWUYKPZIN-LLVKDONJSA-N 2 2 319.365 -1.469 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814380 780151763 /nfs/dbraw/zinc/15/17/63/780151763.db2.gz BNEUUYIUGSKBAW-WHOFXGATSA-N 3 2 311.430 -1.911 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812152 780152163 /nfs/dbraw/zinc/15/21/63/780152163.db2.gz PERPLDORYMQFKA-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812152 780152165 /nfs/dbraw/zinc/15/21/65/780152165.db2.gz PERPLDORYMQFKA-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812152 780152167 /nfs/dbraw/zinc/15/21/67/780152167.db2.gz PERPLDORYMQFKA-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812152 780152169 /nfs/dbraw/zinc/15/21/69/780152169.db2.gz PERPLDORYMQFKA-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813741 780152206 /nfs/dbraw/zinc/15/22/06/780152206.db2.gz BRLFPWPBZBIBEN-MCIONIFRSA-N 2 2 324.425 -1.089 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813741 780152208 /nfs/dbraw/zinc/15/22/08/780152208.db2.gz BRLFPWPBZBIBEN-MCIONIFRSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813741 780152210 /nfs/dbraw/zinc/15/22/10/780152210.db2.gz BRLFPWPBZBIBEN-MCIONIFRSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813741 780152213 /nfs/dbraw/zinc/15/22/13/780152213.db2.gz BRLFPWPBZBIBEN-MCIONIFRSA-N 2 2 324.425 -1.089 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833345 780153452 /nfs/dbraw/zinc/15/34/52/780153452.db2.gz CCQDRARTRBEHJU-NJZAAPMLSA-N 3 2 323.397 -1.209 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833343 780153457 /nfs/dbraw/zinc/15/34/57/780153457.db2.gz CCQDRARTRBEHJU-KYOSRNDESA-N 3 2 323.397 -1.209 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831332 780153480 /nfs/dbraw/zinc/15/34/80/780153480.db2.gz GXSZPBMYLXIWRL-ZRJCITRHSA-N 3 2 311.430 -1.770 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833350 780153998 /nfs/dbraw/zinc/15/39/98/780153998.db2.gz CCQDRARTRBEHJU-ZLDLUXBVSA-N 3 2 323.397 -1.209 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219879394 780159023 /nfs/dbraw/zinc/15/90/23/780159023.db2.gz JNFYYKVBEWIYOE-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219879394 780159027 /nfs/dbraw/zinc/15/90/27/780159027.db2.gz JNFYYKVBEWIYOE-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219879394 780159031 /nfs/dbraw/zinc/15/90/31/780159031.db2.gz JNFYYKVBEWIYOE-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219879394 780159034 /nfs/dbraw/zinc/15/90/34/780159034.db2.gz JNFYYKVBEWIYOE-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP O=C(NCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccncc1 ZINC001219936540 780163947 /nfs/dbraw/zinc/16/39/47/780163947.db2.gz IRYLYVPQRSWPCI-RWMBFGLXSA-N 2 2 303.366 -1.123 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C[NH2+]1 ZINC001219967618 780167282 /nfs/dbraw/zinc/16/72/82/780167282.db2.gz CHKIIUGPGUQIBK-VWYCJHECSA-N 2 2 314.386 -1.504 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[NH2+]1 ZINC001219965566 780168026 /nfs/dbraw/zinc/16/80/26/780168026.db2.gz RUKZBNMXOURSFZ-WOPDTQHZSA-N 3 2 310.398 -1.120 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(C)=O)C[NH2+]1 ZINC001219967889 780168041 /nfs/dbraw/zinc/16/80/41/780168041.db2.gz NNEICEOJDXMJAG-WOPDTQHZSA-N 2 2 314.386 -1.360 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220010670 780170088 /nfs/dbraw/zinc/17/00/88/780170088.db2.gz BWPFACORJCVHNZ-OLZOCXBDSA-N 2 2 312.370 -1.638 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220010670 780170091 /nfs/dbraw/zinc/17/00/91/780170091.db2.gz BWPFACORJCVHNZ-OLZOCXBDSA-N 2 2 312.370 -1.638 20 0 DAADLP CCOC(=O)c1nnc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)o1 ZINC001220011251 780170171 /nfs/dbraw/zinc/17/01/71/780170171.db2.gz TYJYDSVUBSKLER-SDBXPKJASA-N 2 2 309.326 -1.186 20 0 DAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC1C[NH+](C)C1 ZINC001220013066 780170899 /nfs/dbraw/zinc/17/08/99/780170899.db2.gz HIBROUWIJDGZDE-ONGXEEELSA-N 2 2 311.386 -2.129 20 0 DAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104716 780178286 /nfs/dbraw/zinc/17/82/86/780178286.db2.gz KYMFVVOTKPULJN-LBPRGKRZSA-N 2 2 322.365 -1.362 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220105982 780179681 /nfs/dbraw/zinc/17/96/81/780179681.db2.gz VHYPGWMQIIOUGO-OLZOCXBDSA-N 2 2 319.369 -1.274 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220105982 780179687 /nfs/dbraw/zinc/17/96/87/780179687.db2.gz VHYPGWMQIIOUGO-OLZOCXBDSA-N 2 2 319.369 -1.274 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001220106384 780180405 /nfs/dbraw/zinc/18/04/05/780180405.db2.gz LOPFKMZXDLKSRL-CBAPKCEASA-N 2 2 311.317 -1.124 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001220137910 780183990 /nfs/dbraw/zinc/18/39/90/780183990.db2.gz LOUREXUBPIMHJN-LPWJVIDDSA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001220137910 780184001 /nfs/dbraw/zinc/18/40/01/780184001.db2.gz LOUREXUBPIMHJN-LPWJVIDDSA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001220137910 780184005 /nfs/dbraw/zinc/18/40/05/780184005.db2.gz LOUREXUBPIMHJN-LPWJVIDDSA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001220137910 780184014 /nfs/dbraw/zinc/18/40/14/780184014.db2.gz LOUREXUBPIMHJN-LPWJVIDDSA-N 2 2 301.387 -1.751 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170468 780188249 /nfs/dbraw/zinc/18/82/49/780188249.db2.gz LCBUGWNPELHKNC-NWDGAFQWSA-N 2 2 310.354 -1.062 20 0 DAADLP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001220200452 780189651 /nfs/dbraw/zinc/18/96/51/780189651.db2.gz KXUKFBHUASWQEC-NSHDSACASA-N 2 2 311.390 -1.313 20 0 DAADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197383 780189898 /nfs/dbraw/zinc/18/98/98/780189898.db2.gz AMOFBLLCGCZRSP-LLVKDONJSA-N 2 2 313.402 -1.257 20 0 DAADLP Cn1ccc(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1=O ZINC001220179774 780190106 /nfs/dbraw/zinc/19/01/06/780190106.db2.gz RNQOOSJSKLPWOP-ZDUSSCGKSA-N 2 2 307.398 -1.248 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220228861 780192505 /nfs/dbraw/zinc/19/25/05/780192505.db2.gz AVFVTWMGFMYFBN-WOPDTQHZSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220228861 780192510 /nfs/dbraw/zinc/19/25/10/780192510.db2.gz AVFVTWMGFMYFBN-WOPDTQHZSA-N 2 2 310.398 -1.622 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230920 780192590 /nfs/dbraw/zinc/19/25/90/780192590.db2.gz UUXCTICCTRFSPK-UTUOFQBUSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230920 780192592 /nfs/dbraw/zinc/19/25/92/780192592.db2.gz UUXCTICCTRFSPK-UTUOFQBUSA-N 2 2 312.414 -1.376 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238166 780193596 /nfs/dbraw/zinc/19/35/96/780193596.db2.gz OEMJPVGWRBSBJM-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238166 780193600 /nfs/dbraw/zinc/19/36/00/780193600.db2.gz OEMJPVGWRBSBJM-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237662 780193978 /nfs/dbraw/zinc/19/39/78/780193978.db2.gz ABAPXGTWKAMVRI-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237662 780193983 /nfs/dbraw/zinc/19/39/83/780193983.db2.gz ABAPXGTWKAMVRI-TUAOUCFPSA-N 2 2 300.403 -1.376 20 0 DAADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273634 780198827 /nfs/dbraw/zinc/19/88/27/780198827.db2.gz PSYNYZOECDLGGC-RTXFEEFZSA-N 2 2 312.414 -1.234 20 0 DAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273634 780198830 /nfs/dbraw/zinc/19/88/30/780198830.db2.gz PSYNYZOECDLGGC-RTXFEEFZSA-N 2 2 312.414 -1.234 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220276467 780199069 /nfs/dbraw/zinc/19/90/69/780199069.db2.gz BEVKCABQELCZRE-MNOVXSKESA-N 2 2 322.431 -2.351 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220276467 780199070 /nfs/dbraw/zinc/19/90/70/780199070.db2.gz BEVKCABQELCZRE-MNOVXSKESA-N 2 2 322.431 -2.351 20 0 DAADLP Cc1cc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)n(N)c(=O)c1 ZINC001220323068 780202703 /nfs/dbraw/zinc/20/27/03/780202703.db2.gz CBIVHODLOCHIGO-NSHDSACASA-N 2 2 308.386 -1.441 20 0 DAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220352003 780204290 /nfs/dbraw/zinc/20/42/90/780204290.db2.gz PXKKZWCRKWIZEB-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220352003 780204293 /nfs/dbraw/zinc/20/42/93/780204293.db2.gz PXKKZWCRKWIZEB-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220352003 780204297 /nfs/dbraw/zinc/20/42/97/780204297.db2.gz PXKKZWCRKWIZEB-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220352003 780204302 /nfs/dbraw/zinc/20/43/02/780204302.db2.gz PXKKZWCRKWIZEB-MCIONIFRSA-N 2 2 315.414 -1.359 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(N3CCOCC3)nn2)C1 ZINC001220390282 780208058 /nfs/dbraw/zinc/20/80/58/780208058.db2.gz WQYBFILQWHLWPC-JQWIXIFHSA-N 2 2 306.370 -1.381 20 0 DAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)O1 ZINC001220481583 780218583 /nfs/dbraw/zinc/21/85/83/780218583.db2.gz KTFPHMANTIBSAE-FTQJZPFOSA-N 3 2 312.414 -1.221 20 0 DAADLP COC(=O)[C@H]1C[C@H](C(=O)NCCOCCOCC[NH3+])CC[NH2+]1 ZINC001220519109 780222119 /nfs/dbraw/zinc/22/21/19/780222119.db2.gz BINDZWBGWOIEBA-VXGBXAGGSA-N 2 2 317.386 -1.364 20 0 DAADLP CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[NH2+]C1 ZINC001220521971 780222587 /nfs/dbraw/zinc/22/25/87/780222587.db2.gz WAOMRGDTTIANJL-BONVTDFDSA-N 3 2 308.382 -1.135 20 0 DAADLP COCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553892 780227006 /nfs/dbraw/zinc/22/70/06/780227006.db2.gz WQFYQWIIZAPONZ-OLZOCXBDSA-N 2 2 301.387 -1.484 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553892 780227008 /nfs/dbraw/zinc/22/70/08/780227008.db2.gz WQFYQWIIZAPONZ-OLZOCXBDSA-N 2 2 301.387 -1.484 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001220768893 780244971 /nfs/dbraw/zinc/24/49/71/780244971.db2.gz DLGFGRKFQDKQIY-QWRGUYRKSA-N 2 2 312.326 -1.489 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220768640 780247167 /nfs/dbraw/zinc/24/71/67/780247167.db2.gz WKGPDKVYAHVPJE-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220768640 780247175 /nfs/dbraw/zinc/24/71/75/780247175.db2.gz WKGPDKVYAHVPJE-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220770497 780247428 /nfs/dbraw/zinc/24/74/28/780247428.db2.gz XQGIHURZQHMSEE-VXGBXAGGSA-N 3 2 321.381 -1.571 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768522 780247708 /nfs/dbraw/zinc/24/77/08/780247708.db2.gz PREBMIUKMYEQEN-UTUOFQBUSA-N 2 2 316.402 -2.140 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768522 780247712 /nfs/dbraw/zinc/24/77/12/780247712.db2.gz PREBMIUKMYEQEN-UTUOFQBUSA-N 2 2 316.402 -2.140 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220771865 780247860 /nfs/dbraw/zinc/24/78/60/780247860.db2.gz FGSTVHHPOQELRK-OLZOCXBDSA-N 3 2 323.397 -1.053 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220806980 780248519 /nfs/dbraw/zinc/24/85/19/780248519.db2.gz OEMICVCJOFUJEB-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220806980 780248527 /nfs/dbraw/zinc/24/85/27/780248527.db2.gz OEMICVCJOFUJEB-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220816924 780248780 /nfs/dbraw/zinc/24/87/80/780248780.db2.gz HPODXPFWOAHZKL-TUAOUCFPSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220816924 780248785 /nfs/dbraw/zinc/24/87/85/780248785.db2.gz HPODXPFWOAHZKL-TUAOUCFPSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220816924 780248787 /nfs/dbraw/zinc/24/87/87/780248787.db2.gz HPODXPFWOAHZKL-TUAOUCFPSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220816924 780248791 /nfs/dbraw/zinc/24/87/91/780248791.db2.gz HPODXPFWOAHZKL-TUAOUCFPSA-N 2 2 300.403 -1.247 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799478 780249357 /nfs/dbraw/zinc/24/93/57/780249357.db2.gz BOGJNWALRKDPME-LYFYHCNISA-N 2 2 307.280 -1.274 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220815635 780249443 /nfs/dbraw/zinc/24/94/43/780249443.db2.gz SKVDBKRSLMZVCO-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220815635 780249451 /nfs/dbraw/zinc/24/94/51/780249451.db2.gz SKVDBKRSLMZVCO-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220815635 780249459 /nfs/dbraw/zinc/24/94/59/780249459.db2.gz SKVDBKRSLMZVCO-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220815635 780249465 /nfs/dbraw/zinc/24/94/65/780249465.db2.gz SKVDBKRSLMZVCO-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852830 780252440 /nfs/dbraw/zinc/25/24/40/780252440.db2.gz YYHSIECEFUSVIQ-UHTWSYAYSA-N 2 2 312.370 -1.571 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852830 780252445 /nfs/dbraw/zinc/25/24/45/780252445.db2.gz YYHSIECEFUSVIQ-UHTWSYAYSA-N 2 2 312.370 -1.571 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876155 780254210 /nfs/dbraw/zinc/25/42/10/780254210.db2.gz FVSCRLQCWLFNDL-NSHDSACASA-N 2 2 321.337 -1.663 20 0 DAADLP O=C(NCCOCCN1C(=O)C=CC1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220876776 780254335 /nfs/dbraw/zinc/25/43/35/780254335.db2.gz OGJKOFRRSSQATD-SDDRHHMPSA-N 2 2 322.365 -2.006 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N(O)N=O ZINC001220900216 780256185 /nfs/dbraw/zinc/25/61/85/780256185.db2.gz DKUOGEXTTUWRQM-LPEHRKFASA-N 3 2 301.351 -2.399 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)N(O)N=O ZINC001220901068 780256193 /nfs/dbraw/zinc/25/61/93/780256193.db2.gz SJVUEUUIXXIFCQ-MWLCHTKSSA-N 3 2 301.351 -2.398 20 0 DAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001220926796 780258764 /nfs/dbraw/zinc/25/87/64/780258764.db2.gz ZWHJSEQSAUNFKI-QWRGUYRKSA-N 2 2 304.416 -1.679 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976236 780264069 /nfs/dbraw/zinc/26/40/69/780264069.db2.gz PKHAVYJMIKLRAF-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976236 780264073 /nfs/dbraw/zinc/26/40/73/780264073.db2.gz PKHAVYJMIKLRAF-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976236 780264077 /nfs/dbraw/zinc/26/40/77/780264077.db2.gz PKHAVYJMIKLRAF-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976236 780264081 /nfs/dbraw/zinc/26/40/81/780264081.db2.gz PKHAVYJMIKLRAF-XQQFMLRXSA-N 2 2 312.414 -1.422 20 0 DAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977706 780264140 /nfs/dbraw/zinc/26/41/40/780264140.db2.gz ADXKNLGONYFDCM-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977706 780264142 /nfs/dbraw/zinc/26/41/42/780264142.db2.gz ADXKNLGONYFDCM-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220987089 780266825 /nfs/dbraw/zinc/26/68/25/780266825.db2.gz HBSLMKIKVMSAOK-UPJWGTAASA-N 2 2 301.387 -1.892 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220987089 780266831 /nfs/dbraw/zinc/26/68/31/780266831.db2.gz HBSLMKIKVMSAOK-UPJWGTAASA-N 2 2 301.387 -1.892 20 0 DAADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020442 780270441 /nfs/dbraw/zinc/27/04/41/780270441.db2.gz UYSMJVWDFAZWNI-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020442 780270446 /nfs/dbraw/zinc/27/04/46/780270446.db2.gz UYSMJVWDFAZWNI-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020442 780270454 /nfs/dbraw/zinc/27/04/54/780270454.db2.gz UYSMJVWDFAZWNI-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020442 780270459 /nfs/dbraw/zinc/27/04/59/780270459.db2.gz UYSMJVWDFAZWNI-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073043 780273118 /nfs/dbraw/zinc/27/31/18/780273118.db2.gz CRVUEFIMDVTAMJ-UPJWGTAASA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073043 780273121 /nfs/dbraw/zinc/27/31/21/780273121.db2.gz CRVUEFIMDVTAMJ-UPJWGTAASA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001221093646 780274495 /nfs/dbraw/zinc/27/44/95/780274495.db2.gz SFFMTLIJFPKEBG-UPJWGTAASA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001221093646 780274497 /nfs/dbraw/zinc/27/44/97/780274497.db2.gz SFFMTLIJFPKEBG-UPJWGTAASA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001221093646 780274500 /nfs/dbraw/zinc/27/45/00/780274500.db2.gz SFFMTLIJFPKEBG-UPJWGTAASA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001221093646 780274505 /nfs/dbraw/zinc/27/45/05/780274505.db2.gz SFFMTLIJFPKEBG-UPJWGTAASA-N 2 2 312.414 -1.234 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091229 780275197 /nfs/dbraw/zinc/27/51/97/780275197.db2.gz GRDIQOJTGWANTP-AGIUHOORSA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091229 780275208 /nfs/dbraw/zinc/27/52/08/780275208.db2.gz GRDIQOJTGWANTP-AGIUHOORSA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091229 780275219 /nfs/dbraw/zinc/27/52/19/780275219.db2.gz GRDIQOJTGWANTP-AGIUHOORSA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091229 780275231 /nfs/dbraw/zinc/27/52/31/780275231.db2.gz GRDIQOJTGWANTP-AGIUHOORSA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091230 780275752 /nfs/dbraw/zinc/27/57/52/780275752.db2.gz GRDIQOJTGWANTP-UPJWGTAASA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091230 780275755 /nfs/dbraw/zinc/27/57/55/780275755.db2.gz GRDIQOJTGWANTP-UPJWGTAASA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091230 780275759 /nfs/dbraw/zinc/27/57/59/780275759.db2.gz GRDIQOJTGWANTP-UPJWGTAASA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091230 780275765 /nfs/dbraw/zinc/27/57/65/780275765.db2.gz GRDIQOJTGWANTP-UPJWGTAASA-N 2 2 312.414 -1.281 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221257037 780285987 /nfs/dbraw/zinc/28/59/87/780285987.db2.gz VTABCQFJXXFXIQ-USWWRNFRSA-N 2 2 309.370 -1.300 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001221257041 780286589 /nfs/dbraw/zinc/28/65/89/780286589.db2.gz VUWHUIFDFHVCKC-FZMZJTMJSA-N 2 2 309.370 -1.299 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221257160 780286940 /nfs/dbraw/zinc/28/69/40/780286940.db2.gz ZVVQWMDHALHHTN-SRVKXCTJSA-N 2 2 310.354 -1.267 20 0 DAADLP [NH3+][C@H](Cc1ccccc1F)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265415 780287440 /nfs/dbraw/zinc/28/74/40/780287440.db2.gz LUPTXOKQNSQCNX-LPWJVIDDSA-N 2 2 308.361 -1.785 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H]2NCN[C@@H]21 ZINC001221265189 780288056 /nfs/dbraw/zinc/28/80/56/780288056.db2.gz HUCWNGHKNLOGMN-DGAVXFQQSA-N 2 2 302.382 -1.780 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@H]2NCN[C@@H]21 ZINC001221265192 780288365 /nfs/dbraw/zinc/28/83/65/780288365.db2.gz HUCWNGHKNLOGMN-REWJHTLYSA-N 2 2 302.382 -1.780 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@@H]2NCN[C@@H]21 ZINC001221266188 780288853 /nfs/dbraw/zinc/28/88/53/780288853.db2.gz TYESCQFCMKQIRH-GMNPVEAJSA-N 2 2 311.390 -3.155 20 0 DAADLP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277981906 780421014 /nfs/dbraw/zinc/42/10/14/780421014.db2.gz PWVNBPUFLGDECT-STQMWFEESA-N 2 2 323.441 -1.454 20 0 DAADLP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277981906 780421016 /nfs/dbraw/zinc/42/10/16/780421016.db2.gz PWVNBPUFLGDECT-STQMWFEESA-N 2 2 323.441 -1.454 20 0 DAADLP COC(=O)[C@H](C)NC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286340 780443584 /nfs/dbraw/zinc/44/35/84/780443584.db2.gz IBEUDAKYZCNXFG-NSHDSACASA-N 2 2 301.391 -1.658 20 0 DAADLP CC(C)OC[C@@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246052381 780449894 /nfs/dbraw/zinc/44/98/94/780449894.db2.gz KUJIKBBENLQFNZ-ZDUSSCGKSA-N 3 2 304.435 -1.112 20 0 DAADLP CC(C)OC[C@@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246052381 780449900 /nfs/dbraw/zinc/44/99/00/780449900.db2.gz KUJIKBBENLQFNZ-ZDUSSCGKSA-N 3 2 304.435 -1.112 20 0 DAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246101473 780450020 /nfs/dbraw/zinc/45/00/20/780450020.db2.gz PUEIOJKXONGLQT-MNOVXSKESA-N 2 2 320.415 -2.286 20 0 DAADLP O=C([C@@H]1C[C@H]([NH2+]CC2(O)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246173330 780450629 /nfs/dbraw/zinc/45/06/29/780450629.db2.gz LGXHKJUPXJTHHQ-RYUDHWBXSA-N 3 2 314.455 -1.046 20 0 DAADLP COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3c(n2)C[NH2+]CCC3)CN1 ZINC001246131994 780451346 /nfs/dbraw/zinc/45/13/46/780451346.db2.gz LSRVUMICKSEYRJ-CMPLNLGQSA-N 2 2 321.381 -1.270 20 0 DAADLP COC(=O)[C@@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246264271 780452033 /nfs/dbraw/zinc/45/20/33/780452033.db2.gz IECCSCWIRAINEY-GUBZILKMSA-N 2 2 302.400 -1.660 20 0 DAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246303585 780453157 /nfs/dbraw/zinc/45/31/57/780453157.db2.gz HAJWWXCLZCNTLG-WDEREUQCSA-N 2 2 314.386 -1.488 20 0 DAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246303584 780453202 /nfs/dbraw/zinc/45/32/02/780453202.db2.gz HAJWWXCLZCNTLG-QWRGUYRKSA-N 2 2 314.386 -1.488 20 0 DAADLP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001246486928 780453777 /nfs/dbraw/zinc/45/37/77/780453777.db2.gz QXCQUZJCSBEXPD-NSHDSACASA-N 2 2 311.386 -2.080 20 0 DAADLP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246491592 780454571 /nfs/dbraw/zinc/45/45/71/780454571.db2.gz UHSQVBJASOUIJV-VXGBXAGGSA-N 2 2 321.443 -1.106 20 0 DAADLP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246491590 780454585 /nfs/dbraw/zinc/45/45/85/780454585.db2.gz UHSQVBJASOUIJV-NWDGAFQWSA-N 2 2 321.443 -1.106 20 0 DAADLP O=S1(=O)CCN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246822313 780456937 /nfs/dbraw/zinc/45/69/37/780456937.db2.gz YJVJOAHQYBRZIU-GFCCVEGCSA-N 2 2 314.455 -1.505 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801113 780467780 /nfs/dbraw/zinc/46/77/80/780467780.db2.gz FNZVDFHSUZUIDH-NSHDSACASA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801113 780467784 /nfs/dbraw/zinc/46/77/84/780467784.db2.gz FNZVDFHSUZUIDH-NSHDSACASA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](C[C@H](O)CO)CC2 ZINC001252057814 780468280 /nfs/dbraw/zinc/46/82/80/780468280.db2.gz PILCQBTWEGENJG-JTQLQIEISA-N 2 2 312.370 -1.323 20 0 DAADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](C[C@H](O)CO)CC2 ZINC001252057814 780468288 /nfs/dbraw/zinc/46/82/88/780468288.db2.gz PILCQBTWEGENJG-JTQLQIEISA-N 2 2 312.370 -1.323 20 0 DAADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001255948586 780504650 /nfs/dbraw/zinc/50/46/50/780504650.db2.gz NVQKQZYPDAXRRU-YHBOFVJASA-N 2 2 306.403 -1.504 20 0 DAADLP CC(C)[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001257214158 780512846 /nfs/dbraw/zinc/51/28/46/780512846.db2.gz YZQUHNHAOKBJCE-UHFFFAOYSA-N 2 2 313.402 -1.834 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001263150643 780576258 /nfs/dbraw/zinc/57/62/58/780576258.db2.gz HPGCQYKBCODYPQ-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1 ZINC001263155164 780576897 /nfs/dbraw/zinc/57/68/97/780576897.db2.gz NFTKTAPMZWYHTL-AWEZNQCLSA-N 2 2 316.402 -1.571 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C(=O)[O-])C[NH2+]CCO1 ZINC001263155164 780576898 /nfs/dbraw/zinc/57/68/98/780576898.db2.gz NFTKTAPMZWYHTL-AWEZNQCLSA-N 2 2 316.402 -1.571 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1 ZINC001264582616 780586283 /nfs/dbraw/zinc/58/62/83/780586283.db2.gz FFKOTDZPMFNFES-UHFFFAOYSA-N 2 2 306.326 -1.154 20 0 DAADLP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001279746743 780625914 /nfs/dbraw/zinc/62/59/14/780625914.db2.gz QLOVJCXHZPWYBU-NSHDSACASA-N 2 2 309.370 -1.659 20 0 DAADLP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001279746742 780626135 /nfs/dbraw/zinc/62/61/35/780626135.db2.gz QLOVJCXHZPWYBU-LLVKDONJSA-N 2 2 309.370 -1.659 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283812469 780778903 /nfs/dbraw/zinc/77/89/03/780778903.db2.gz IHWQAUOQKFYBGV-UWVGGRQHSA-N 2 2 309.326 -2.176 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090848359 781358747 /nfs/dbraw/zinc/35/87/47/781358747.db2.gz FQVWWNHSYNOANN-OLZOCXBDSA-N 2 2 319.369 -1.274 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090848359 781358754 /nfs/dbraw/zinc/35/87/54/781358754.db2.gz FQVWWNHSYNOANN-OLZOCXBDSA-N 2 2 319.369 -1.274 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CN(C)C(N)=[NH2+] ZINC001144144131 781366316 /nfs/dbraw/zinc/36/63/16/781366316.db2.gz XORUYVYCHOMVMR-JTQLQIEISA-N 2 2 310.358 -1.164 20 0 DAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160586216 781372030 /nfs/dbraw/zinc/37/20/30/781372030.db2.gz YERIOLKHUZIICW-RYUDHWBXSA-N 2 2 318.443 -1.888 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001171237423 781389626 /nfs/dbraw/zinc/38/96/26/781389626.db2.gz JKWXSYBPHPDSNY-UHFFFAOYSA-N 2 2 323.397 -1.083 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565794 781415286 /nfs/dbraw/zinc/41/52/86/781415286.db2.gz ZLXMFWYKPZWMLK-IOASZLSFSA-N 2 2 324.425 -1.157 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565794 781415294 /nfs/dbraw/zinc/41/52/94/781415294.db2.gz ZLXMFWYKPZWMLK-IOASZLSFSA-N 2 2 324.425 -1.157 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565794 781415297 /nfs/dbraw/zinc/41/52/97/781415297.db2.gz ZLXMFWYKPZWMLK-IOASZLSFSA-N 2 2 324.425 -1.157 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565794 781415304 /nfs/dbraw/zinc/41/53/04/781415304.db2.gz ZLXMFWYKPZWMLK-IOASZLSFSA-N 2 2 324.425 -1.157 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565795 781415853 /nfs/dbraw/zinc/41/58/53/781415853.db2.gz ZLXMFWYKPZWMLK-WWGRRREGSA-N 2 2 324.425 -1.157 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565795 781415859 /nfs/dbraw/zinc/41/58/59/781415859.db2.gz ZLXMFWYKPZWMLK-WWGRRREGSA-N 2 2 324.425 -1.157 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565795 781415862 /nfs/dbraw/zinc/41/58/62/781415862.db2.gz ZLXMFWYKPZWMLK-WWGRRREGSA-N 2 2 324.425 -1.157 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565795 781415866 /nfs/dbraw/zinc/41/58/66/781415866.db2.gz ZLXMFWYKPZWMLK-WWGRRREGSA-N 2 2 324.425 -1.157 20 0 DAADLP CN(C)c1noc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147842328 781459245 /nfs/dbraw/zinc/45/92/45/781459245.db2.gz RXYPRIGKFFBJFH-UHFFFAOYSA-N 2 2 314.390 -1.080 20 0 DAADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147900033 781460283 /nfs/dbraw/zinc/46/02/83/781460283.db2.gz HNFKKPRBUNXCSR-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001147876987 781460335 /nfs/dbraw/zinc/46/03/35/781460335.db2.gz BHOXNBHUWKCYPV-UHFFFAOYSA-N 2 2 308.342 -1.780 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001147876964 781460486 /nfs/dbraw/zinc/46/04/86/781460486.db2.gz AOZOQEANCQONNR-UHFFFAOYSA-N 2 2 303.388 -1.782 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001147899987 781461026 /nfs/dbraw/zinc/46/10/26/781461026.db2.gz FWHJOTAPJCAMBZ-UHFFFAOYSA-N 2 2 323.397 -1.036 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094279130 781534983 /nfs/dbraw/zinc/53/49/83/781534983.db2.gz YDHOAJTVCZOYNW-CYBMUJFWSA-N 2 2 308.386 -1.163 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094279130 781534988 /nfs/dbraw/zinc/53/49/88/781534988.db2.gz YDHOAJTVCZOYNW-CYBMUJFWSA-N 2 2 308.386 -1.163 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC1 ZINC001094778663 781575406 /nfs/dbraw/zinc/57/54/06/781575406.db2.gz HPQXLLJREMPJED-CYBMUJFWSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783080 781576298 /nfs/dbraw/zinc/57/62/98/781576298.db2.gz LANDOPKNNSHIMS-OLZOCXBDSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783080 781576310 /nfs/dbraw/zinc/57/63/10/781576310.db2.gz LANDOPKNNSHIMS-OLZOCXBDSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783081 781576414 /nfs/dbraw/zinc/57/64/14/781576414.db2.gz LANDOPKNNSHIMS-QWHCGFSZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783081 781576423 /nfs/dbraw/zinc/57/64/23/781576423.db2.gz LANDOPKNNSHIMS-QWHCGFSZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817543 781582146 /nfs/dbraw/zinc/58/21/46/781582146.db2.gz NLOGQBXEVSFKKQ-STQMWFEESA-N 2 2 324.425 -1.136 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094818241 781583008 /nfs/dbraw/zinc/58/30/08/781583008.db2.gz ZSLGYNDOEPZYAM-GFCCVEGCSA-N 2 2 310.398 -1.524 20 0 DAADLP C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817537 781583070 /nfs/dbraw/zinc/58/30/70/781583070.db2.gz NLOGQBXEVSFKKQ-OLZOCXBDSA-N 2 2 324.425 -1.136 20 0 DAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001176335445 781616566 /nfs/dbraw/zinc/61/65/66/781616566.db2.gz VKPCGWXHSSZXRV-SNVBAGLBSA-N 2 2 317.371 -1.796 20 0 DAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001176335445 781616572 /nfs/dbraw/zinc/61/65/72/781616572.db2.gz VKPCGWXHSSZXRV-SNVBAGLBSA-N 2 2 317.371 -1.796 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001176636458 781622381 /nfs/dbraw/zinc/62/23/81/781622381.db2.gz PFRNFKOUCKNKLQ-NSHDSACASA-N 2 2 311.390 -1.473 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001176636458 781622388 /nfs/dbraw/zinc/62/23/88/781622388.db2.gz PFRNFKOUCKNKLQ-NSHDSACASA-N 2 2 311.390 -1.473 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178414117 781645636 /nfs/dbraw/zinc/64/56/36/781645636.db2.gz FDSWUGVAAKLELD-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178414117 781645639 /nfs/dbraw/zinc/64/56/39/781645639.db2.gz FDSWUGVAAKLELD-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279855 781669798 /nfs/dbraw/zinc/66/97/98/781669798.db2.gz NBBSBXFEMYRJLJ-QWRGUYRKSA-N 2 2 322.369 -1.082 20 0 DAADLP CC(C)[NH+]1CCN(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001180351897 781670587 /nfs/dbraw/zinc/67/05/87/781670587.db2.gz BYZXEHKGNHHERR-RDBSUJKOSA-N 2 2 311.434 -2.469 20 0 DAADLP CC(C)[NH+]1CCN(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001180351895 781670803 /nfs/dbraw/zinc/67/08/03/781670803.db2.gz BYZXEHKGNHHERR-IHRRRGAJSA-N 2 2 311.434 -2.469 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821995 781693992 /nfs/dbraw/zinc/69/39/92/781693992.db2.gz MFMQDTREYVFBDF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821995 781693996 /nfs/dbraw/zinc/69/39/96/781693996.db2.gz MFMQDTREYVFBDF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710232 781750777 /nfs/dbraw/zinc/75/07/77/781750777.db2.gz WZZTUESUFZMWOZ-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184709930 781750999 /nfs/dbraw/zinc/75/09/99/781750999.db2.gz JSYMVOUAHHAUNG-SNVBAGLBSA-N 2 2 308.342 -1.341 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185266839 781757919 /nfs/dbraw/zinc/75/79/19/781757919.db2.gz HNMCBFBMOAOSMY-QWHCGFSZSA-N 2 2 323.397 -1.134 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185266839 781757926 /nfs/dbraw/zinc/75/79/26/781757926.db2.gz HNMCBFBMOAOSMY-QWHCGFSZSA-N 2 2 323.397 -1.134 20 0 DAADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001188376993 781818404 /nfs/dbraw/zinc/81/84/04/781818404.db2.gz SPWZSVBWDOEMIW-VHSXEESVSA-N 2 2 308.342 -1.343 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191360916 781910501 /nfs/dbraw/zinc/91/05/01/781910501.db2.gz UOVPHWAZSNGMEW-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191360916 781910503 /nfs/dbraw/zinc/91/05/03/781910503.db2.gz UOVPHWAZSNGMEW-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001377182740 921779863 /nfs/dbraw/zinc/77/98/63/921779863.db2.gz YTERCSSGBPNNGJ-HNNXBMFYSA-N 2 2 323.397 -1.038 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC)C1 ZINC001377266874 921794631 /nfs/dbraw/zinc/79/46/31/921794631.db2.gz OTPRQYXGICPYPA-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC)C1 ZINC001377266874 921794647 /nfs/dbraw/zinc/79/46/47/921794647.db2.gz OTPRQYXGICPYPA-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC)C1 ZINC001377266874 921794653 /nfs/dbraw/zinc/79/46/53/921794653.db2.gz OTPRQYXGICPYPA-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001377266874 921794666 /nfs/dbraw/zinc/79/46/66/921794666.db2.gz OTPRQYXGICPYPA-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP C[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377258945 921796013 /nfs/dbraw/zinc/79/60/13/921796013.db2.gz LZTCHTBDZWPMQB-UHFFFAOYSA-N 2 2 313.402 -2.056 20 0 DAADLP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377258945 921796017 /nfs/dbraw/zinc/79/60/17/921796017.db2.gz LZTCHTBDZWPMQB-UHFFFAOYSA-N 2 2 313.402 -2.056 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001377289581 921799190 /nfs/dbraw/zinc/79/91/90/921799190.db2.gz TYFGNEZYSKGUEJ-KCJUWKMLSA-N 2 2 322.369 -1.108 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316857626 916231987 /nfs/dbraw/zinc/23/19/87/916231987.db2.gz AUHIMUSSOKRABD-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316857626 916232001 /nfs/dbraw/zinc/23/20/01/916232001.db2.gz AUHIMUSSOKRABD-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319553311 916442043 /nfs/dbraw/zinc/44/20/43/916442043.db2.gz UORCGESMJDEJGW-JTQLQIEISA-N 2 2 322.369 -1.060 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001320294839 916497666 /nfs/dbraw/zinc/49/76/66/916497666.db2.gz GAGPUCPSYZYFOR-NSHDSACASA-N 2 2 318.399 -1.926 20 0 DAADLP NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001326046737 916887671 /nfs/dbraw/zinc/88/76/71/916887671.db2.gz ZCQDMOCEZYBDIC-LLVKDONJSA-N 2 2 309.370 -1.659 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001326102037 916896333 /nfs/dbraw/zinc/89/63/33/916896333.db2.gz CHLXYTAWPFRGSW-LLVKDONJSA-N 2 2 323.353 -1.832 20 0 DAADLP O=C1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C(=O)N1 ZINC001327014024 916980561 /nfs/dbraw/zinc/98/05/61/916980561.db2.gz WMUIXQZMSIIXIW-GFCCVEGCSA-N 2 2 311.382 -1.049 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001327080288 916990026 /nfs/dbraw/zinc/99/00/26/916990026.db2.gz LGCUKVXPUNCDJS-CYBMUJFWSA-N 2 2 319.369 -1.008 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001328983557 917127066 /nfs/dbraw/zinc/12/70/66/917127066.db2.gz ZCSKVWBAJKXPGB-LLVKDONJSA-N 2 2 309.370 -1.334 20 0 DAADLP COC[C@@]1(C(=O)NCCCN2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC001333336913 917434755 /nfs/dbraw/zinc/43/47/55/917434755.db2.gz QUXORYLIVBBJEG-OAHLLOKOSA-N 2 2 314.430 -1.255 20 0 DAADLP COC[C@@]1(C(=O)NCCC[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC001333336913 917434765 /nfs/dbraw/zinc/43/47/65/917434765.db2.gz QUXORYLIVBBJEG-OAHLLOKOSA-N 2 2 314.430 -1.255 20 0 DAADLP COC1CCN(S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001334341421 917483949 /nfs/dbraw/zinc/48/39/49/917483949.db2.gz MWIVNIJMNDBZGW-UHFFFAOYSA-N 2 2 306.432 -1.163 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001338886838 917708931 /nfs/dbraw/zinc/70/89/31/917708931.db2.gz ITXHJGOKPVBCOE-OKILXGFUSA-N 2 2 312.462 -1.223 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001338886838 917708941 /nfs/dbraw/zinc/70/89/41/917708941.db2.gz ITXHJGOKPVBCOE-OKILXGFUSA-N 2 2 312.462 -1.223 20 0 DAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001338886838 917708955 /nfs/dbraw/zinc/70/89/55/917708955.db2.gz ITXHJGOKPVBCOE-OKILXGFUSA-N 2 2 312.462 -1.223 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341704634 917763765 /nfs/dbraw/zinc/76/37/65/917763765.db2.gz XAUCPWMSHSLEHA-ZDUSSCGKSA-N 2 2 312.414 -1.026 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001346422256 917889879 /nfs/dbraw/zinc/88/98/79/917889879.db2.gz BYSHQUUOSNCWPC-NSHDSACASA-N 2 2 314.386 -1.401 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001346422256 917889889 /nfs/dbraw/zinc/88/98/89/917889889.db2.gz BYSHQUUOSNCWPC-NSHDSACASA-N 2 2 314.386 -1.401 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138197 918466924 /nfs/dbraw/zinc/46/69/24/918466924.db2.gz KDQHNSPZEZGSDY-JTQLQIEISA-N 2 2 308.390 -1.460 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138197 918466940 /nfs/dbraw/zinc/46/69/40/918466940.db2.gz KDQHNSPZEZGSDY-JTQLQIEISA-N 2 2 308.390 -1.460 20 0 DAADLP C[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001363182085 918715111 /nfs/dbraw/zinc/71/51/11/918715111.db2.gz XFZXTIPUWDTLTI-GFCCVEGCSA-N 2 2 311.430 -1.312 20 0 DAADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001363579297 918833821 /nfs/dbraw/zinc/83/38/21/918833821.db2.gz RNPPWBANAJYWSI-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001363579297 918833829 /nfs/dbraw/zinc/83/38/29/918833829.db2.gz RNPPWBANAJYWSI-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001364421048 919007879 /nfs/dbraw/zinc/00/78/79/919007879.db2.gz KBZVGRRHOOUUAM-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001364421048 919007889 /nfs/dbraw/zinc/00/78/89/919007889.db2.gz KBZVGRRHOOUUAM-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001365830421 919240792 /nfs/dbraw/zinc/24/07/92/919240792.db2.gz RQNDDLZJJGOANH-AOOOYVTPSA-N 2 2 308.342 -1.438 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365994809 919262737 /nfs/dbraw/zinc/26/27/37/919262737.db2.gz JZDWNLDJSXGTIE-MNOVXSKESA-N 2 2 313.402 -1.027 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365994809 919262752 /nfs/dbraw/zinc/26/27/52/919262752.db2.gz JZDWNLDJSXGTIE-MNOVXSKESA-N 2 2 313.402 -1.027 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001365994649 919263989 /nfs/dbraw/zinc/26/39/89/919263989.db2.gz CVSZAQXQWGOAJH-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001365994649 919264005 /nfs/dbraw/zinc/26/40/05/919264005.db2.gz CVSZAQXQWGOAJH-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001365994649 919264018 /nfs/dbraw/zinc/26/40/18/919264018.db2.gz CVSZAQXQWGOAJH-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001365994649 919264032 /nfs/dbraw/zinc/26/40/32/919264032.db2.gz CVSZAQXQWGOAJH-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366354898 919315754 /nfs/dbraw/zinc/31/57/54/919315754.db2.gz AYECHTGPHZOENL-VIFPVBQESA-N 2 2 307.358 -1.092 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001366376248 919319478 /nfs/dbraw/zinc/31/94/78/919319478.db2.gz UYQRLLLUYOODTD-LLVKDONJSA-N 2 2 322.369 -2.064 20 0 DAADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001366472355 919330957 /nfs/dbraw/zinc/33/09/57/919330957.db2.gz MECBCIXZMBBTGY-JTQLQIEISA-N 2 2 310.358 -1.048 20 0 DAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)nc1=O ZINC001366530474 919337724 /nfs/dbraw/zinc/33/77/24/919337724.db2.gz TWFASJUSJJJSPW-GFCCVEGCSA-N 2 2 322.413 -1.002 20 0 DAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)nc1=O ZINC001366530474 919337738 /nfs/dbraw/zinc/33/77/38/919337738.db2.gz TWFASJUSJJJSPW-GFCCVEGCSA-N 2 2 322.413 -1.002 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001366595386 919353894 /nfs/dbraw/zinc/35/38/94/919353894.db2.gz IXTIFVKICMEIIR-UHFFFAOYSA-N 2 2 301.391 -1.170 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001366595386 919353915 /nfs/dbraw/zinc/35/39/15/919353915.db2.gz IXTIFVKICMEIIR-UHFFFAOYSA-N 2 2 301.391 -1.170 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001366595386 919353930 /nfs/dbraw/zinc/35/39/30/919353930.db2.gz IXTIFVKICMEIIR-UHFFFAOYSA-N 2 2 301.391 -1.170 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001366595386 919353947 /nfs/dbraw/zinc/35/39/47/919353947.db2.gz IXTIFVKICMEIIR-UHFFFAOYSA-N 2 2 301.391 -1.170 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001367586940 919498326 /nfs/dbraw/zinc/49/83/26/919498326.db2.gz WHHQMMMHDATXIG-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001367586940 919498339 /nfs/dbraw/zinc/49/83/39/919498339.db2.gz WHHQMMMHDATXIG-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001367596025 919510127 /nfs/dbraw/zinc/51/01/27/919510127.db2.gz CLZUBPQZPUMXHV-VXGBXAGGSA-N 2 2 323.397 -1.352 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001367613079 919528024 /nfs/dbraw/zinc/52/80/24/919528024.db2.gz OYNWUHQPMIBVKT-VXGBXAGGSA-N 2 2 319.369 -1.202 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001367613062 919529956 /nfs/dbraw/zinc/52/99/56/919529956.db2.gz OYNWUHQPMIBVKT-NWDGAFQWSA-N 2 2 319.369 -1.202 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001367625164 919539469 /nfs/dbraw/zinc/53/94/69/919539469.db2.gz YEHVAANHXXALAO-IJLUTSLNSA-N 2 2 323.397 -1.274 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001367629614 919545345 /nfs/dbraw/zinc/54/53/45/919545345.db2.gz NYUZYINCHBEMAP-PWSUYJOCSA-N 2 2 309.370 -1.383 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001367910013 919585992 /nfs/dbraw/zinc/58/59/92/919585992.db2.gz HXTCBAXJYLEMBM-LLVKDONJSA-N 2 2 322.369 -1.108 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368298999 919677402 /nfs/dbraw/zinc/67/74/02/919677402.db2.gz ARBNUQVOWUZUMZ-VXGBXAGGSA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368298999 919677406 /nfs/dbraw/zinc/67/74/06/919677406.db2.gz ARBNUQVOWUZUMZ-VXGBXAGGSA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368299444 919679869 /nfs/dbraw/zinc/67/98/69/919679869.db2.gz BVOFZDOYYHGNHH-OLZOCXBDSA-N 2 2 317.430 -1.257 20 0 DAADLP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001368306814 919685010 /nfs/dbraw/zinc/68/50/10/919685010.db2.gz BAONLZFEKGHODC-NEPJUHHUSA-N 2 2 303.403 -1.503 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368376266 919705109 /nfs/dbraw/zinc/70/51/09/919705109.db2.gz HZMSPDQDJATGMY-MLGOLLRUSA-N 2 2 324.425 -1.101 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368376266 919705115 /nfs/dbraw/zinc/70/51/15/919705115.db2.gz HZMSPDQDJATGMY-MLGOLLRUSA-N 2 2 324.425 -1.101 20 0 DAADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368658833 919759176 /nfs/dbraw/zinc/75/91/76/919759176.db2.gz OARUEWLTFOBDKY-UWVGGRQHSA-N 2 2 308.342 -1.486 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001368768573 919768664 /nfs/dbraw/zinc/76/86/64/919768664.db2.gz VZOYSLGFIGXLMY-GFCCVEGCSA-N 2 2 312.414 -1.243 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001368768573 919768678 /nfs/dbraw/zinc/76/86/78/919768678.db2.gz VZOYSLGFIGXLMY-GFCCVEGCSA-N 2 2 312.414 -1.243 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001368767099 919769939 /nfs/dbraw/zinc/76/99/39/919769939.db2.gz YAHBWEIAGYKLIS-QWHCGFSZSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001368767099 919769950 /nfs/dbraw/zinc/76/99/50/919769950.db2.gz YAHBWEIAGYKLIS-QWHCGFSZSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001368767094 919772031 /nfs/dbraw/zinc/77/20/31/919772031.db2.gz YAHBWEIAGYKLIS-CHWSQXEVSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001368767094 919772039 /nfs/dbraw/zinc/77/20/39/919772039.db2.gz YAHBWEIAGYKLIS-CHWSQXEVSA-N 2 2 324.425 -1.088 20 0 DAADLP NC(=O)C[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001368769875 919775350 /nfs/dbraw/zinc/77/53/50/919775350.db2.gz ANCYJAPANOENRD-UHFFFAOYSA-N 2 2 310.398 -1.489 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001368969250 919789381 /nfs/dbraw/zinc/78/93/81/919789381.db2.gz UWPWGKCKJSRLBW-VIFPVBQESA-N 2 2 310.358 -1.177 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001368969250 919789396 /nfs/dbraw/zinc/78/93/96/919789396.db2.gz UWPWGKCKJSRLBW-VIFPVBQESA-N 2 2 310.358 -1.177 20 0 DAADLP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001369145008 919820190 /nfs/dbraw/zinc/82/01/90/919820190.db2.gz FXSQQENJHBUZIV-ONGXEEELSA-N 2 2 313.402 -1.042 20 0 DAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001369214751 919830244 /nfs/dbraw/zinc/83/02/44/919830244.db2.gz FQRWYOVOGBEWKI-LLVKDONJSA-N 2 2 322.369 -1.026 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314946 919850885 /nfs/dbraw/zinc/85/08/85/919850885.db2.gz SVABLIPKAGBDQK-NEPJUHHUSA-N 2 2 314.386 -2.384 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001369314946 919850891 /nfs/dbraw/zinc/85/08/91/919850891.db2.gz SVABLIPKAGBDQK-NEPJUHHUSA-N 2 2 314.386 -2.384 20 0 DAADLP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001369328699 919865228 /nfs/dbraw/zinc/86/52/28/919865228.db2.gz DXOUABSZNWOEER-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001369339210 919874206 /nfs/dbraw/zinc/87/42/06/919874206.db2.gz NTAKNKLODZRWHX-YPMHNXCESA-N 2 2 312.418 -1.032 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001369352661 919891634 /nfs/dbraw/zinc/89/16/34/919891634.db2.gz LPYLQUSSVLRHDP-CHWSQXEVSA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001369352661 919891648 /nfs/dbraw/zinc/89/16/48/919891648.db2.gz LPYLQUSSVLRHDP-CHWSQXEVSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001369368839 919901688 /nfs/dbraw/zinc/90/16/88/919901688.db2.gz YSVQYTNVGGGIKT-VXGBXAGGSA-N 2 2 323.397 -1.433 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001369365748 919904194 /nfs/dbraw/zinc/90/41/94/919904194.db2.gz RSMVYVVIMAHEPM-NSHDSACASA-N 2 2 302.375 -2.479 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001369384246 919919683 /nfs/dbraw/zinc/91/96/83/919919683.db2.gz OXKUHLSRENXZRQ-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001369406952 919921177 /nfs/dbraw/zinc/92/11/77/919921177.db2.gz SDJRDDGSMDFMBD-BDAKNGLRSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001369406960 919921876 /nfs/dbraw/zinc/92/18/76/919921876.db2.gz SDJRDDGSMDFMBD-RKDXNWHRSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001369406957 919922820 /nfs/dbraw/zinc/92/28/20/919922820.db2.gz SDJRDDGSMDFMBD-IUCAKERBSA-N 2 2 308.342 -1.274 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001369468574 919946144 /nfs/dbraw/zinc/94/61/44/919946144.db2.gz SJZLCKLAYZRLRW-NSHDSACASA-N 2 2 311.386 -1.492 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]cn1C ZINC001369477058 919951837 /nfs/dbraw/zinc/95/18/37/919951837.db2.gz CLPCACUEFPMUCA-QWHCGFSZSA-N 2 2 323.397 -1.398 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369476605 919952782 /nfs/dbraw/zinc/95/27/82/919952782.db2.gz BDDZIZYSGHMYSF-CMPLNLGQSA-N 2 2 311.386 -1.494 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001369887388 920009191 /nfs/dbraw/zinc/00/91/91/920009191.db2.gz JTDMHPLPCIZJEG-ZIAGYGMSSA-N 2 2 323.441 -1.297 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001369887388 920009212 /nfs/dbraw/zinc/00/92/12/920009212.db2.gz JTDMHPLPCIZJEG-ZIAGYGMSSA-N 2 2 323.441 -1.297 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370035271 920030526 /nfs/dbraw/zinc/03/05/26/920030526.db2.gz UTRYZDFJBCUMDA-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370035271 920030540 /nfs/dbraw/zinc/03/05/40/920030540.db2.gz UTRYZDFJBCUMDA-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)C[NH+]1CCCC1 ZINC001371009121 920215826 /nfs/dbraw/zinc/21/58/26/920215826.db2.gz JREJVOMBNHRJKR-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001371473270 920264755 /nfs/dbraw/zinc/26/47/55/920264755.db2.gz YFFCPNVNAXJOPW-CHWSQXEVSA-N 2 2 323.397 -1.100 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O)[NH+](C)C ZINC001371538670 920281183 /nfs/dbraw/zinc/28/11/83/920281183.db2.gz SNKCGAKYQTVWAU-UTUOFQBUSA-N 2 2 323.397 -1.020 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O)[NH+](C)C ZINC001371538671 920281569 /nfs/dbraw/zinc/28/15/69/920281569.db2.gz SNKCGAKYQTVWAU-WOPDTQHZSA-N 2 2 323.397 -1.020 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001371844421 920303178 /nfs/dbraw/zinc/30/31/78/920303178.db2.gz KSHBMHGAVSIYMF-RYUDHWBXSA-N 2 2 323.397 -1.018 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001371867098 920307314 /nfs/dbraw/zinc/30/73/14/920307314.db2.gz GRPNIIMNVSUVFG-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372565887 920387893 /nfs/dbraw/zinc/38/78/93/920387893.db2.gz KNJRIQQMRCNRDB-NSHDSACASA-N 2 2 311.386 -1.142 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372565887 920387909 /nfs/dbraw/zinc/38/79/09/920387909.db2.gz KNJRIQQMRCNRDB-NSHDSACASA-N 2 2 311.386 -1.142 20 0 DAADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C)C(=O)NC(N)=O ZINC001372956481 920442755 /nfs/dbraw/zinc/44/27/55/920442755.db2.gz ZEWJSQNHNWSSQE-SNVBAGLBSA-N 2 2 324.385 -1.016 20 0 DAADLP C[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001373315565 920475450 /nfs/dbraw/zinc/47/54/50/920475450.db2.gz CZMUTXWSOAOHTJ-ZDUSSCGKSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001373315565 920475460 /nfs/dbraw/zinc/47/54/60/920475460.db2.gz CZMUTXWSOAOHTJ-ZDUSSCGKSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001373315565 920475472 /nfs/dbraw/zinc/47/54/72/920475472.db2.gz CZMUTXWSOAOHTJ-ZDUSSCGKSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001373315565 920475486 /nfs/dbraw/zinc/47/54/86/920475486.db2.gz CZMUTXWSOAOHTJ-ZDUSSCGKSA-N 2 2 312.414 -1.027 20 0 DAADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001373480887 920507980 /nfs/dbraw/zinc/50/79/80/920507980.db2.gz JZUWTIMNUPRUGI-GXTWGEPZSA-N 2 2 315.414 -1.238 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373592360 920529508 /nfs/dbraw/zinc/52/95/08/920529508.db2.gz RCPYJEDAXALXRR-NWDGAFQWSA-N 2 2 323.397 -1.286 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373592360 920529526 /nfs/dbraw/zinc/52/95/26/920529526.db2.gz RCPYJEDAXALXRR-NWDGAFQWSA-N 2 2 323.397 -1.286 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373608102 920534410 /nfs/dbraw/zinc/53/44/10/920534410.db2.gz FFTGTLBSGMYMAN-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373608102 920534418 /nfs/dbraw/zinc/53/44/18/920534418.db2.gz FFTGTLBSGMYMAN-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373608102 920534428 /nfs/dbraw/zinc/53/44/28/920534428.db2.gz FFTGTLBSGMYMAN-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373608102 920534439 /nfs/dbraw/zinc/53/44/39/920534439.db2.gz FFTGTLBSGMYMAN-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]CC(=O)NC(N)=O ZINC001374098774 920582779 /nfs/dbraw/zinc/58/27/79/920582779.db2.gz IROVRZTVIKNJHR-SNVBAGLBSA-N 2 2 324.385 -1.111 20 0 DAADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001374312033 920602395 /nfs/dbraw/zinc/60/23/95/920602395.db2.gz IPAFLKUMNJWQOE-VHSXEESVSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001374312029 920602679 /nfs/dbraw/zinc/60/26/79/920602679.db2.gz IPAFLKUMNJWQOE-NXEZZACHSA-N 2 2 324.385 -1.018 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001374616342 920650426 /nfs/dbraw/zinc/65/04/26/920650426.db2.gz GIRSTBDZRMPVCY-ZYHUDNBSSA-N 2 2 309.370 -1.742 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001374616340 920651581 /nfs/dbraw/zinc/65/15/81/920651581.db2.gz GIRSTBDZRMPVCY-JQWIXIFHSA-N 2 2 309.370 -1.742 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001374671802 920684505 /nfs/dbraw/zinc/68/45/05/920684505.db2.gz QHDUSVQXYBRESB-GFCCVEGCSA-N 2 2 311.386 -1.492 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001374671805 920685112 /nfs/dbraw/zinc/68/51/12/920685112.db2.gz QHDUSVQXYBRESB-LBPRGKRZSA-N 2 2 311.386 -1.492 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001374682437 920690735 /nfs/dbraw/zinc/69/07/35/920690735.db2.gz XEQKPQVRTVDOGL-JQWIXIFHSA-N 2 2 311.386 -1.446 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001374682659 920691284 /nfs/dbraw/zinc/69/12/84/920691284.db2.gz XXLLYFYZEPBMRD-NSHDSACASA-N 2 2 309.370 -1.440 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001375239086 920756676 /nfs/dbraw/zinc/75/66/76/920756676.db2.gz GPJQERGOHQMTQD-LLVKDONJSA-N 2 2 322.369 -1.048 20 0 DAADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001376059001 920837563 /nfs/dbraw/zinc/83/75/63/920837563.db2.gz UHSOWTFHPKEHJD-IUODEOHRSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001376059001 920837576 /nfs/dbraw/zinc/83/75/76/920837576.db2.gz UHSOWTFHPKEHJD-IUODEOHRSA-N 2 2 308.382 -1.009 20 0 DAADLP CC[C@H](C(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001376072033 920843904 /nfs/dbraw/zinc/84/39/04/920843904.db2.gz LHVVTOUOQNDEGE-QWHCGFSZSA-N 2 2 313.446 -1.066 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376075471 920844566 /nfs/dbraw/zinc/84/45/66/920844566.db2.gz COOJQXHFIUILCD-JSGCOSHPSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376075471 920844574 /nfs/dbraw/zinc/84/45/74/920844574.db2.gz COOJQXHFIUILCD-JSGCOSHPSA-N 2 2 312.370 -1.488 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001376095702 920851259 /nfs/dbraw/zinc/85/12/59/920851259.db2.gz HLSVMACFTLEROC-ZDUSSCGKSA-N 2 2 313.446 -1.064 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001376101262 920857331 /nfs/dbraw/zinc/85/73/31/920857331.db2.gz CFAAEFOOINZEEX-CHWSQXEVSA-N 2 2 311.430 -1.454 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001376101262 920857339 /nfs/dbraw/zinc/85/73/39/920857339.db2.gz CFAAEFOOINZEEX-CHWSQXEVSA-N 2 2 311.430 -1.454 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001376101274 920857614 /nfs/dbraw/zinc/85/76/14/920857614.db2.gz CFAAEFOOINZEEX-OLZOCXBDSA-N 2 2 311.430 -1.454 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001376101274 920857623 /nfs/dbraw/zinc/85/76/23/920857623.db2.gz CFAAEFOOINZEEX-OLZOCXBDSA-N 2 2 311.430 -1.454 20 0 DAADLP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@H](O)COC)C1)[NH+](C)C ZINC001376268455 920907809 /nfs/dbraw/zinc/90/78/09/920907809.db2.gz BAONLZFEKGHODC-NWDGAFQWSA-N 2 2 303.403 -1.503 20 0 DAADLP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376277149 920912178 /nfs/dbraw/zinc/91/21/78/920912178.db2.gz RCLARUYFNQADTE-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376277149 920912183 /nfs/dbraw/zinc/91/21/83/920912183.db2.gz RCLARUYFNQADTE-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376277149 920912192 /nfs/dbraw/zinc/91/21/92/920912192.db2.gz RCLARUYFNQADTE-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376277149 920912196 /nfs/dbraw/zinc/91/21/96/920912196.db2.gz RCLARUYFNQADTE-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376293553 920915815 /nfs/dbraw/zinc/91/58/15/920915815.db2.gz DPJOKMCZVGQDPP-OLZOCXBDSA-N 2 2 315.414 -1.502 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376551906 920979587 /nfs/dbraw/zinc/97/95/87/920979587.db2.gz SQSDXBZGIHKMDJ-DGCLKSJQSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001376551906 920979597 /nfs/dbraw/zinc/97/95/97/920979597.db2.gz SQSDXBZGIHKMDJ-DGCLKSJQSA-N 2 2 323.397 -1.052 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376662135 921009228 /nfs/dbraw/zinc/00/92/28/921009228.db2.gz SBWPKNORJNZVRU-LBPRGKRZSA-N 2 2 321.381 -1.428 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666486 921012026 /nfs/dbraw/zinc/01/20/26/921012026.db2.gz YPTUPSDCCKAZPX-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666486 921012041 /nfs/dbraw/zinc/01/20/41/921012041.db2.gz YPTUPSDCCKAZPX-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(=O)NC(N)=O ZINC001376757087 921026191 /nfs/dbraw/zinc/02/61/91/921026191.db2.gz HSWBVLIMFPBMEU-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(=O)NC(N)=O ZINC001376756932 921027686 /nfs/dbraw/zinc/02/76/86/921027686.db2.gz LAWIVDCRQPIHAX-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(=O)NC(N)=O ZINC001376757094 921028367 /nfs/dbraw/zinc/02/83/67/921028367.db2.gz HSWBVLIMFPBMEU-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001376838564 921037119 /nfs/dbraw/zinc/03/71/19/921037119.db2.gz HGUJXTZRPQWPET-WCQYABFASA-N 2 2 321.381 -1.252 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376854629 921043668 /nfs/dbraw/zinc/04/36/68/921043668.db2.gz WKNFARUXMRYSIS-GFCCVEGCSA-N 2 2 309.370 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922008994 /nfs/dbraw/zinc/00/89/94/922008994.db2.gz HUWDFZPKRXDFFM-JTQLQIEISA-N 2 2 310.358 -1.095 20 0 DAADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378862768 922015601 /nfs/dbraw/zinc/01/56/01/922015601.db2.gz GUZICDAONXTESN-RYUDHWBXSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378862768 922015609 /nfs/dbraw/zinc/01/56/09/922015609.db2.gz GUZICDAONXTESN-RYUDHWBXSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378862760 922017362 /nfs/dbraw/zinc/01/73/62/922017362.db2.gz GUZICDAONXTESN-NEPJUHHUSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378862760 922017380 /nfs/dbraw/zinc/01/73/80/922017380.db2.gz GUZICDAONXTESN-NEPJUHHUSA-N 2 2 300.403 -1.077 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001379226300 922082229 /nfs/dbraw/zinc/08/22/29/922082229.db2.gz FQQZUTIVKAHRLU-GHMZBOCLSA-N 2 2 311.386 -1.446 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001379226301 922087204 /nfs/dbraw/zinc/08/72/04/922087204.db2.gz FQQZUTIVKAHRLU-MNOVXSKESA-N 2 2 311.386 -1.446 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001379240693 922094819 /nfs/dbraw/zinc/09/48/19/922094819.db2.gz ZLYKXNSACDFNJQ-LLVKDONJSA-N 2 2 311.386 -1.492 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001379282225 922114845 /nfs/dbraw/zinc/11/48/45/922114845.db2.gz RPYDXWNFJXBIAX-MNOVXSKESA-N 2 2 309.370 -1.442 20 0 DAADLP CC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001379288386 922115607 /nfs/dbraw/zinc/11/56/07/922115607.db2.gz FYHSJRPVBODYIG-NSHDSACASA-N 2 2 311.386 -1.136 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371113 922140795 /nfs/dbraw/zinc/14/07/95/922140795.db2.gz LWQPUYVIEFFKTC-CMPLNLGQSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371113 922140806 /nfs/dbraw/zinc/14/08/06/922140806.db2.gz LWQPUYVIEFFKTC-CMPLNLGQSA-N 2 2 323.401 -1.331 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379379792 922143948 /nfs/dbraw/zinc/14/39/48/922143948.db2.gz CLEQVWLYRAARAP-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001379376432 922144308 /nfs/dbraw/zinc/14/43/08/922144308.db2.gz XKMDFYJFSJWRIW-DGCLKSJQSA-N 2 2 312.414 -1.232 20 0 DAADLP CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001379376432 922144315 /nfs/dbraw/zinc/14/43/15/922144315.db2.gz XKMDFYJFSJWRIW-DGCLKSJQSA-N 2 2 312.414 -1.232 20 0 DAADLP CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001379376436 922144576 /nfs/dbraw/zinc/14/45/76/922144576.db2.gz XKMDFYJFSJWRIW-YPMHNXCESA-N 2 2 312.414 -1.232 20 0 DAADLP CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001379376436 922144583 /nfs/dbraw/zinc/14/45/83/922144583.db2.gz XKMDFYJFSJWRIW-YPMHNXCESA-N 2 2 312.414 -1.232 20 0 DAADLP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379450787 922181912 /nfs/dbraw/zinc/18/19/12/922181912.db2.gz DLHINOVKOGIJKU-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC2 ZINC001379482446 922195821 /nfs/dbraw/zinc/19/58/21/922195821.db2.gz VTEFPPIGHYVBQE-MNOVXSKESA-N 2 2 309.370 -1.694 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001379500203 922201552 /nfs/dbraw/zinc/20/15/52/922201552.db2.gz FWOHYIXGJZABDJ-QWHCGFSZSA-N 2 2 312.418 -1.032 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC001379513931 922210406 /nfs/dbraw/zinc/21/04/06/922210406.db2.gz YSVYWCJCAAPHHG-JTQLQIEISA-N 2 2 318.399 -1.926 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCN(C)C1=O ZINC001379517655 922212269 /nfs/dbraw/zinc/21/22/69/922212269.db2.gz XGIXIFULKZDJPN-VXGBXAGGSA-N 2 2 323.397 -1.052 20 0 DAADLP CCn1cc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001379524991 922217112 /nfs/dbraw/zinc/21/71/12/922217112.db2.gz HBEZGWJPRRVQKJ-CYBMUJFWSA-N 2 2 310.402 -1.040 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379887445 922288393 /nfs/dbraw/zinc/28/83/93/922288393.db2.gz ZMXZAIYDLOEMHH-GHMZBOCLSA-N 2 2 309.370 -1.442 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001379973693 922308348 /nfs/dbraw/zinc/30/83/48/922308348.db2.gz UHZXTEFYDSLOCV-LBPRGKRZSA-N 2 2 316.402 -2.055 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001379973693 922308364 /nfs/dbraw/zinc/30/83/64/922308364.db2.gz UHZXTEFYDSLOCV-LBPRGKRZSA-N 2 2 316.402 -2.055 20 0 DAADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379984008 922314604 /nfs/dbraw/zinc/31/46/04/922314604.db2.gz VSIFRFRPXGCETK-CMPLNLGQSA-N 2 2 311.386 -1.413 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379984008 922314615 /nfs/dbraw/zinc/31/46/15/922314615.db2.gz VSIFRFRPXGCETK-CMPLNLGQSA-N 2 2 311.386 -1.413 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001380285263 922348646 /nfs/dbraw/zinc/34/86/46/922348646.db2.gz QLSCYCNSFZFIGF-LLVKDONJSA-N 2 2 322.369 -1.012 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380377200 922357705 /nfs/dbraw/zinc/35/77/05/922357705.db2.gz NEZHFQUZBUCJHB-CQSZACIVSA-N 2 2 322.369 -1.033 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380377200 922357721 /nfs/dbraw/zinc/35/77/21/922357721.db2.gz NEZHFQUZBUCJHB-CQSZACIVSA-N 2 2 322.369 -1.033 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380547429 922377712 /nfs/dbraw/zinc/37/77/12/922377712.db2.gz ZHIINLJOBNETFR-OAHLLOKOSA-N 2 2 323.397 -1.167 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380547429 922377728 /nfs/dbraw/zinc/37/77/28/922377728.db2.gz ZHIINLJOBNETFR-OAHLLOKOSA-N 2 2 323.397 -1.167 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001380557588 922389296 /nfs/dbraw/zinc/38/92/96/922389296.db2.gz VVVXPLAQLHVOKF-RISCZKNCSA-N 2 2 309.370 -1.300 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001380557588 922389304 /nfs/dbraw/zinc/38/93/04/922389304.db2.gz VVVXPLAQLHVOKF-RISCZKNCSA-N 2 2 309.370 -1.300 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001380557584 922390052 /nfs/dbraw/zinc/39/00/52/922390052.db2.gz VVVXPLAQLHVOKF-BXUZGUMPSA-N 2 2 309.370 -1.300 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001380557584 922390069 /nfs/dbraw/zinc/39/00/69/922390069.db2.gz VVVXPLAQLHVOKF-BXUZGUMPSA-N 2 2 309.370 -1.300 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380574587 922396845 /nfs/dbraw/zinc/39/68/45/922396845.db2.gz RJXBZIXAOMZFRT-HNNXBMFYSA-N 2 2 312.414 -1.229 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380574587 922396860 /nfs/dbraw/zinc/39/68/60/922396860.db2.gz RJXBZIXAOMZFRT-HNNXBMFYSA-N 2 2 312.414 -1.229 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001380577390 922399886 /nfs/dbraw/zinc/39/98/86/922399886.db2.gz JLLXWUJNRSMLIH-QWHCGFSZSA-N 2 2 313.398 -1.484 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001380577390 922399895 /nfs/dbraw/zinc/39/98/95/922399895.db2.gz JLLXWUJNRSMLIH-QWHCGFSZSA-N 2 2 313.398 -1.484 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001380599445 922411007 /nfs/dbraw/zinc/41/10/07/922411007.db2.gz DFJKUKNCSRMHQV-ZDUSSCGKSA-N 2 2 315.414 -1.359 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001380599445 922411011 /nfs/dbraw/zinc/41/10/11/922411011.db2.gz DFJKUKNCSRMHQV-ZDUSSCGKSA-N 2 2 315.414 -1.359 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380640757 922430073 /nfs/dbraw/zinc/43/00/73/922430073.db2.gz DWOZIDROYJEBAG-RYUDHWBXSA-N 2 2 301.387 -1.892 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380640757 922430080 /nfs/dbraw/zinc/43/00/80/922430080.db2.gz DWOZIDROYJEBAG-RYUDHWBXSA-N 2 2 301.387 -1.892 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001380769098 922454439 /nfs/dbraw/zinc/45/44/39/922454439.db2.gz SGCFTVIAYOJARL-QWRGUYRKSA-N 2 2 302.375 -2.399 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001380769098 922454451 /nfs/dbraw/zinc/45/44/51/922454451.db2.gz SGCFTVIAYOJARL-QWRGUYRKSA-N 2 2 302.375 -2.399 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001380914997 922473667 /nfs/dbraw/zinc/47/36/67/922473667.db2.gz LHYMQFKSWYQOFT-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001380912508 922474774 /nfs/dbraw/zinc/47/47/74/922474774.db2.gz GDAIHSMNAOWBIS-VXGBXAGGSA-N 2 2 309.370 -1.165 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001380912492 922475273 /nfs/dbraw/zinc/47/52/73/922475273.db2.gz GDAIHSMNAOWBIS-NWDGAFQWSA-N 2 2 309.370 -1.165 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001381116284 922501181 /nfs/dbraw/zinc/50/11/81/922501181.db2.gz OWVLYRKSAFRJMK-SCZZXKLOSA-N 2 2 308.342 -1.416 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001381247550 922515674 /nfs/dbraw/zinc/51/56/74/922515674.db2.gz UICQUZFCNSKIMX-NWDGAFQWSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001381247550 922515677 /nfs/dbraw/zinc/51/56/77/922515677.db2.gz UICQUZFCNSKIMX-NWDGAFQWSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(N)=O ZINC001382087025 922584666 /nfs/dbraw/zinc/58/46/66/922584666.db2.gz TXPGEVVBTTVUOH-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001382087025 922584676 /nfs/dbraw/zinc/58/46/76/922584676.db2.gz 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Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001382271543 922658229 /nfs/dbraw/zinc/65/82/29/922658229.db2.gz CPFCQEWUVYAQHN-MNOVXSKESA-N 2 2 311.386 -1.196 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001382424449 922743928 /nfs/dbraw/zinc/74/39/28/922743928.db2.gz NWFYUCRIXRMWHU-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382439036 922752361 /nfs/dbraw/zinc/75/23/61/922752361.db2.gz NVVGHDZPCSSYSH-LBPRGKRZSA-N 2 2 311.386 -1.230 20 0 DAADLP CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001382574968 922810869 /nfs/dbraw/zinc/81/08/69/922810869.db2.gz NCJZERIGBDKFAJ-QWRGUYRKSA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383955131 922991721 /nfs/dbraw/zinc/99/17/21/922991721.db2.gz RLTXYKFWNRQHCK-LBPRGKRZSA-N 2 2 311.386 -1.183 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383955131 922991735 /nfs/dbraw/zinc/99/17/35/922991735.db2.gz RLTXYKFWNRQHCK-LBPRGKRZSA-N 2 2 311.386 -1.183 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001384228766 923066163 /nfs/dbraw/zinc/06/61/63/923066163.db2.gz ZGKNWBDRPLGCES-CHWSQXEVSA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384228766 923066182 /nfs/dbraw/zinc/06/61/82/923066182.db2.gz ZGKNWBDRPLGCES-CHWSQXEVSA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001384224393 923066351 /nfs/dbraw/zinc/06/63/51/923066351.db2.gz KLWAIGFZWSKWDY-AAEUAGOBSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384224393 923066364 /nfs/dbraw/zinc/06/63/64/923066364.db2.gz KLWAIGFZWSKWDY-AAEUAGOBSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001384224395 923066794 /nfs/dbraw/zinc/06/67/94/923066794.db2.gz KLWAIGFZWSKWDY-DGCLKSJQSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384224395 923066810 /nfs/dbraw/zinc/06/68/10/923066810.db2.gz KLWAIGFZWSKWDY-DGCLKSJQSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001384228769 923067880 /nfs/dbraw/zinc/06/78/80/923067880.db2.gz ZGKNWBDRPLGCES-OLZOCXBDSA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384228769 923067896 /nfs/dbraw/zinc/06/78/96/923067896.db2.gz ZGKNWBDRPLGCES-OLZOCXBDSA-N 2 2 323.397 -1.230 20 0 DAADLP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001384823642 923129530 /nfs/dbraw/zinc/12/95/30/923129530.db2.gz CRBZGVHEQJRRTM-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001384823642 923129551 /nfs/dbraw/zinc/12/95/51/923129551.db2.gz CRBZGVHEQJRRTM-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001385119428 923146475 /nfs/dbraw/zinc/14/64/75/923146475.db2.gz ZAMRIAHPALVLNX-QWHCGFSZSA-N 2 2 323.397 -1.018 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001388687113 923495787 /nfs/dbraw/zinc/49/57/87/923495787.db2.gz DOJAHMIIOZAPIB-PHIMTYICSA-N 2 2 322.369 -1.048 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001389412835 923617927 /nfs/dbraw/zinc/61/79/27/923617927.db2.gz WIKZZOODXREXCN-CQSZACIVSA-N 2 2 314.430 -1.567 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](CCCO)CC2)C1 ZINC001389412835 923617940 /nfs/dbraw/zinc/61/79/40/923617940.db2.gz WIKZZOODXREXCN-CQSZACIVSA-N 2 2 314.430 -1.567 20 0 DAADLP O=C(C[NH+]1CCCC1)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001389437658 923621382 /nfs/dbraw/zinc/62/13/82/923621382.db2.gz OSIAXENTPMUKTG-CQSZACIVSA-N 2 2 323.441 -1.296 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389882999 923692158 /nfs/dbraw/zinc/69/21/58/923692158.db2.gz MYDFICBUHIXILH-MGCOHNPYSA-N 2 2 308.342 -1.295 20 0 DAADLP C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390742780 923774516 /nfs/dbraw/zinc/77/45/16/923774516.db2.gz OFXKXEGKSOZEBT-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390742780 923774526 /nfs/dbraw/zinc/77/45/26/923774526.db2.gz OFXKXEGKSOZEBT-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390742780 923774539 /nfs/dbraw/zinc/77/45/39/923774539.db2.gz OFXKXEGKSOZEBT-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390742780 923774553 /nfs/dbraw/zinc/77/45/53/923774553.db2.gz OFXKXEGKSOZEBT-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913076 923792438 /nfs/dbraw/zinc/79/24/38/923792438.db2.gz ZTTKRYXZJUIUFF-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913076 923792443 /nfs/dbraw/zinc/79/24/43/923792443.db2.gz ZTTKRYXZJUIUFF-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913076 923792452 /nfs/dbraw/zinc/79/24/52/923792452.db2.gz ZTTKRYXZJUIUFF-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913076 923792454 /nfs/dbraw/zinc/79/24/54/923792454.db2.gz ZTTKRYXZJUIUFF-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)CC(N)=O ZINC001391027198 923796690 /nfs/dbraw/zinc/79/66/90/923796690.db2.gz UADQEBJLXLAGEV-LBPRGKRZSA-N 2 2 300.403 -1.122 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)CC(N)=O ZINC001391027198 923796698 /nfs/dbraw/zinc/79/66/98/923796698.db2.gz UADQEBJLXLAGEV-LBPRGKRZSA-N 2 2 300.403 -1.122 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001391503819 923849577 /nfs/dbraw/zinc/84/95/77/923849577.db2.gz FKLMOJHHMXBZNY-JTQLQIEISA-N 2 2 311.386 -1.429 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001391503819 923849595 /nfs/dbraw/zinc/84/95/95/923849595.db2.gz FKLMOJHHMXBZNY-JTQLQIEISA-N 2 2 311.386 -1.429 20 0 DAADLP C[NH+](C)CC1(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CC1 ZINC001391498833 923850609 /nfs/dbraw/zinc/85/06/09/923850609.db2.gz WMLKRCUMHSJVGE-UHFFFAOYSA-N 2 2 311.386 -1.429 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391588483 923861449 /nfs/dbraw/zinc/86/14/49/923861449.db2.gz QCNISRDODZCKOS-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391588483 923861451 /nfs/dbraw/zinc/86/14/51/923861451.db2.gz QCNISRDODZCKOS-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391588483 923861454 /nfs/dbraw/zinc/86/14/54/923861454.db2.gz QCNISRDODZCKOS-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391588483 923861456 /nfs/dbraw/zinc/86/14/56/923861456.db2.gz QCNISRDODZCKOS-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391621579 923865412 /nfs/dbraw/zinc/86/54/12/923865412.db2.gz MEYCTSCFJPZYBV-QWRGUYRKSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391621579 923865425 /nfs/dbraw/zinc/86/54/25/923865425.db2.gz MEYCTSCFJPZYBV-QWRGUYRKSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621579 923865438 /nfs/dbraw/zinc/86/54/38/923865438.db2.gz MEYCTSCFJPZYBV-QWRGUYRKSA-N 2 2 311.386 -1.334 20 0 DAADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001391621579 923865448 /nfs/dbraw/zinc/86/54/48/923865448.db2.gz MEYCTSCFJPZYBV-QWRGUYRKSA-N 2 2 311.386 -1.334 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001391950581 923885954 /nfs/dbraw/zinc/88/59/54/923885954.db2.gz RBLOZADDHIDRGT-VHSXEESVSA-N 2 2 324.385 -1.112 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001391950580 923886123 /nfs/dbraw/zinc/88/61/23/923886123.db2.gz RBLOZADDHIDRGT-UWVGGRQHSA-N 2 2 324.385 -1.112 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391930574 923886996 /nfs/dbraw/zinc/88/69/96/923886996.db2.gz NBYQUBQHQWFZSM-SECBINFHSA-N 2 2 310.358 -1.250 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001392129490 923938549 /nfs/dbraw/zinc/93/85/49/923938549.db2.gz WWQLWJJYONNPKD-QMMMGPOBSA-N 2 2 310.358 -1.108 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC001392362362 923974142 /nfs/dbraw/zinc/97/41/42/923974142.db2.gz FFCQRUWRAYDKTJ-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC001392362362 923974147 /nfs/dbraw/zinc/97/41/47/923974147.db2.gz FFCQRUWRAYDKTJ-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001392364509 923974633 /nfs/dbraw/zinc/97/46/33/923974633.db2.gz LJSCBMFWEGQBNU-NWDGAFQWSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001392364509 923974651 /nfs/dbraw/zinc/97/46/51/923974651.db2.gz LJSCBMFWEGQBNU-NWDGAFQWSA-N 2 2 312.374 -2.288 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392379197 923993750 /nfs/dbraw/zinc/99/37/50/923993750.db2.gz IOXKYOHVVKHFQH-VXGBXAGGSA-N 2 2 323.397 -1.352 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001392388646 924001010 /nfs/dbraw/zinc/00/10/10/924001010.db2.gz KPRLVHICBBAEGM-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001392389611 924001926 /nfs/dbraw/zinc/00/19/26/924001926.db2.gz IDTRPGLZGPQXTL-VXGBXAGGSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001392389611 924001937 /nfs/dbraw/zinc/00/19/37/924001937.db2.gz IDTRPGLZGPQXTL-VXGBXAGGSA-N 2 2 323.401 -1.331 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392397899 924008690 /nfs/dbraw/zinc/00/86/90/924008690.db2.gz OUGDDOYSACWAJF-LBPRGKRZSA-N 2 2 323.397 -1.348 20 0 DAADLP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392408689 924017400 /nfs/dbraw/zinc/01/74/00/924017400.db2.gz IGLLKNIFEYJBLI-NSHDSACASA-N 2 2 311.386 -1.114 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001392418011 924023358 /nfs/dbraw/zinc/02/33/58/924023358.db2.gz GPDKWJANWIBBQP-NEPJUHHUSA-N 2 2 309.370 -1.692 20 0 DAADLP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001392417300 924024423 /nfs/dbraw/zinc/02/44/23/924024423.db2.gz CKCKBNNHPFAXBQ-ZJUUUORDSA-N 2 2 314.390 -1.985 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393240390 924129354 /nfs/dbraw/zinc/12/93/54/924129354.db2.gz HCVGHVCDGSTEEG-BXUZGUMPSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393240390 924129359 /nfs/dbraw/zinc/12/93/59/924129359.db2.gz HCVGHVCDGSTEEG-BXUZGUMPSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001393240390 924129364 /nfs/dbraw/zinc/12/93/64/924129364.db2.gz HCVGHVCDGSTEEG-BXUZGUMPSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001393240390 924129372 /nfs/dbraw/zinc/12/93/72/924129372.db2.gz HCVGHVCDGSTEEG-BXUZGUMPSA-N 2 2 314.386 -2.384 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001393263738 924145717 /nfs/dbraw/zinc/14/57/17/924145717.db2.gz PFGYTSMJULPUJZ-IUODEOHRSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001393263738 924145725 /nfs/dbraw/zinc/14/57/25/924145725.db2.gz PFGYTSMJULPUJZ-IUODEOHRSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001393263738 924145735 /nfs/dbraw/zinc/14/57/35/924145735.db2.gz PFGYTSMJULPUJZ-IUODEOHRSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393263738 924145743 /nfs/dbraw/zinc/14/57/43/924145743.db2.gz PFGYTSMJULPUJZ-IUODEOHRSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289878 924158453 /nfs/dbraw/zinc/15/84/53/924158453.db2.gz KGTYQTBYTHITFT-ABAIWWIYSA-N 2 2 323.397 -1.221 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289878 924158464 /nfs/dbraw/zinc/15/84/64/924158464.db2.gz KGTYQTBYTHITFT-ABAIWWIYSA-N 2 2 323.397 -1.221 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001393293879 924159558 /nfs/dbraw/zinc/15/95/58/924159558.db2.gz NXFQMBQAGBVBSQ-HNNXBMFYSA-N 2 2 323.397 -1.086 20 0 DAADLP CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001393293879 924159570 /nfs/dbraw/zinc/15/95/70/924159570.db2.gz NXFQMBQAGBVBSQ-HNNXBMFYSA-N 2 2 323.397 -1.086 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393289829 924159929 /nfs/dbraw/zinc/15/99/29/924159929.db2.gz GXXPOLGNEVALDL-OAHLLOKOSA-N 2 2 321.381 -1.332 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393289829 924159935 /nfs/dbraw/zinc/15/99/35/924159935.db2.gz GXXPOLGNEVALDL-OAHLLOKOSA-N 2 2 321.381 -1.332 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)OC)C2)C1 ZINC001393360942 924191903 /nfs/dbraw/zinc/19/19/03/924191903.db2.gz OITQGDNAIVWTNQ-CHWSQXEVSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)OC)C2)C1 ZINC001393360942 924191910 /nfs/dbraw/zinc/19/19/10/924191910.db2.gz OITQGDNAIVWTNQ-CHWSQXEVSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393400144 924194380 /nfs/dbraw/zinc/19/43/80/924194380.db2.gz VZKPFRWFPTXTFT-MNOVXSKESA-N 2 2 322.369 -1.095 20 0 DAADLP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393428830 924200111 /nfs/dbraw/zinc/20/01/11/924200111.db2.gz NMUGOEDLAYMQMP-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393428830 924200124 /nfs/dbraw/zinc/20/01/24/924200124.db2.gz NMUGOEDLAYMQMP-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001393428830 924200137 /nfs/dbraw/zinc/20/01/37/924200137.db2.gz NMUGOEDLAYMQMP-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001393428830 924200149 /nfs/dbraw/zinc/20/01/49/924200149.db2.gz NMUGOEDLAYMQMP-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001393443775 924203284 /nfs/dbraw/zinc/20/32/84/924203284.db2.gz AKIUVWGYQUFEHB-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001393443775 924203296 /nfs/dbraw/zinc/20/32/96/924203296.db2.gz AKIUVWGYQUFEHB-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001393470673 924211924 /nfs/dbraw/zinc/21/19/24/924211924.db2.gz VELUNKLQYQNEBR-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001393470675 924213965 /nfs/dbraw/zinc/21/39/65/924213965.db2.gz VELUNKLQYQNEBR-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692316 924246301 /nfs/dbraw/zinc/24/63/01/924246301.db2.gz JNENMCSLVQCXSD-FZMZJTMJSA-N 2 2 314.386 -2.255 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001393692316 924246314 /nfs/dbraw/zinc/24/63/14/924246314.db2.gz JNENMCSLVQCXSD-FZMZJTMJSA-N 2 2 314.386 -2.255 20 0 DAADLP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001393782716 924258320 /nfs/dbraw/zinc/25/83/20/924258320.db2.gz PZWJWSVRYHGCEZ-UHFFFAOYSA-N 2 2 309.370 -1.359 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001394286621 924295464 /nfs/dbraw/zinc/29/54/64/924295464.db2.gz OPIHORPHPHQWJK-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CC1(C)C ZINC001394286621 924295471 /nfs/dbraw/zinc/29/54/71/924295471.db2.gz OPIHORPHPHQWJK-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394572133 924310916 /nfs/dbraw/zinc/31/09/16/924310916.db2.gz OHSNNZHUSDUPQR-AAEUAGOBSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394572133 924310922 /nfs/dbraw/zinc/31/09/22/924310922.db2.gz OHSNNZHUSDUPQR-AAEUAGOBSA-N 2 2 311.386 -1.683 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573730 924314143 /nfs/dbraw/zinc/31/41/43/924314143.db2.gz UGYCFUWJKDOYNJ-UONOGXRCSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573730 924314147 /nfs/dbraw/zinc/31/41/47/924314147.db2.gz UGYCFUWJKDOYNJ-UONOGXRCSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001394578416 924317215 /nfs/dbraw/zinc/31/72/15/924317215.db2.gz LPYLQUSSVLRHDP-OLZOCXBDSA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001394578416 924317224 /nfs/dbraw/zinc/31/72/24/924317224.db2.gz LPYLQUSSVLRHDP-OLZOCXBDSA-N 2 2 312.414 -1.230 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634779 924347869 /nfs/dbraw/zinc/34/78/69/924347869.db2.gz KUVZQIBSHQDGPZ-YPMHNXCESA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634779 924347876 /nfs/dbraw/zinc/34/78/76/924347876.db2.gz KUVZQIBSHQDGPZ-YPMHNXCESA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001394655437 924357434 /nfs/dbraw/zinc/35/74/34/924357434.db2.gz VXJUKRRZCNDTJF-LLVKDONJSA-N 2 2 306.370 -1.037 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001394700413 924362035 /nfs/dbraw/zinc/36/20/35/924362035.db2.gz JNUIDSNSGNHSNV-MNOVXSKESA-N 2 2 322.369 -1.048 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001394755555 924379038 /nfs/dbraw/zinc/37/90/38/924379038.db2.gz DDKSAOCQXWDBEZ-NSHDSACASA-N 2 2 311.386 -1.194 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001394759334 924380310 /nfs/dbraw/zinc/38/03/10/924380310.db2.gz SRODYXPJIWOJDC-NWDGAFQWSA-N 2 2 309.370 -1.740 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001394759332 924381597 /nfs/dbraw/zinc/38/15/97/924381597.db2.gz SRODYXPJIWOJDC-NEPJUHHUSA-N 2 2 309.370 -1.740 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791377 924390635 /nfs/dbraw/zinc/39/06/35/924390635.db2.gz OIZAHWQLFJHHPY-RYUDHWBXSA-N 2 2 311.386 -1.102 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791377 924390642 /nfs/dbraw/zinc/39/06/42/924390642.db2.gz OIZAHWQLFJHHPY-RYUDHWBXSA-N 2 2 311.386 -1.102 20 0 DAADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791379 924392267 /nfs/dbraw/zinc/39/22/67/924392267.db2.gz OIZAHWQLFJHHPY-VXGBXAGGSA-N 2 2 311.386 -1.102 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791379 924392270 /nfs/dbraw/zinc/39/22/70/924392270.db2.gz OIZAHWQLFJHHPY-VXGBXAGGSA-N 2 2 311.386 -1.102 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395737419 924456429 /nfs/dbraw/zinc/45/64/29/924456429.db2.gz NJQSKXVSFZNPPR-ZYHUDNBSSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395737419 924456436 /nfs/dbraw/zinc/45/64/36/924456436.db2.gz NJQSKXVSFZNPPR-ZYHUDNBSSA-N 2 2 309.370 -1.503 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395777039 924472493 /nfs/dbraw/zinc/47/24/93/924472493.db2.gz KOSFKYPLPPCYFK-WCQYABFASA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395777039 924472497 /nfs/dbraw/zinc/47/24/97/924472497.db2.gz KOSFKYPLPPCYFK-WCQYABFASA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C ZINC001395780247 924473568 /nfs/dbraw/zinc/47/35/68/924473568.db2.gz UNOSRSYTUDYLLM-LLVKDONJSA-N 2 2 311.386 -1.194 20 0 DAADLP CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001395790854 924476808 /nfs/dbraw/zinc/47/68/08/924476808.db2.gz NLYFMLLUAWXYIL-GHMZBOCLSA-N 2 2 311.386 -1.114 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817074 924485595 /nfs/dbraw/zinc/48/55/95/924485595.db2.gz JMKFUCWYEMTZSV-PWSUYJOCSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817074 924485599 /nfs/dbraw/zinc/48/55/99/924485599.db2.gz JMKFUCWYEMTZSV-PWSUYJOCSA-N 2 2 309.370 -1.503 20 0 DAADLP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC001396030216 924500605 /nfs/dbraw/zinc/50/06/05/924500605.db2.gz LIWFMGGLEPYOLU-LBPRGKRZSA-N 2 2 311.386 -1.230 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001396394032 924519439 /nfs/dbraw/zinc/51/94/39/924519439.db2.gz ZKIUZESKKNRVSJ-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001396394032 924519446 /nfs/dbraw/zinc/51/94/46/924519446.db2.gz ZKIUZESKKNRVSJ-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001397182092 924563774 /nfs/dbraw/zinc/56/37/74/924563774.db2.gz DKVDQZCIQHWRDP-UHFFFAOYSA-N 2 2 322.369 -1.531 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001398286170 924634153 /nfs/dbraw/zinc/63/41/53/924634153.db2.gz QBOCVHFUBKZBPH-CYBMUJFWSA-N 2 2 311.430 -1.310 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001398442038 924642964 /nfs/dbraw/zinc/64/29/64/924642964.db2.gz AEDNLNMMCUUDEG-LLVKDONJSA-N 2 2 322.369 -1.358 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001398644926 924660147 /nfs/dbraw/zinc/66/01/47/924660147.db2.gz QQEXOOJGOLZPDH-TXEJJXNPSA-N 2 2 323.401 -1.331 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001399129359 924691328 /nfs/dbraw/zinc/69/13/28/924691328.db2.gz YMQWMUBAANHXOB-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849202 924744965 /nfs/dbraw/zinc/74/49/65/924744965.db2.gz KEMWWHQHSDNJHV-QWRGUYRKSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399849202 924744971 /nfs/dbraw/zinc/74/49/71/924744971.db2.gz KEMWWHQHSDNJHV-QWRGUYRKSA-N 2 2 309.370 -1.503 20 0 DAADLP CNC(=O)CN1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001400197889 924777689 /nfs/dbraw/zinc/77/76/89/924777689.db2.gz KSVBDXDYYGQKJX-UHFFFAOYSA-N 2 2 313.446 -1.240 20 0 DAADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001400896113 924836125 /nfs/dbraw/zinc/83/61/25/924836125.db2.gz BNKDDCICEFAWML-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP C[C@@](C[NH2+]CC(=O)NC(N)=O)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001401026468 924838106 /nfs/dbraw/zinc/83/81/06/924838106.db2.gz WKYQOEFGTDJYKB-AWEZNQCLSA-N 2 2 322.369 -1.048 20 0 DAADLP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001401406722 924858361 /nfs/dbraw/zinc/85/83/61/924858361.db2.gz HWWNMEZSNMGYLI-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001401406722 924858368 /nfs/dbraw/zinc/85/83/68/924858368.db2.gz HWWNMEZSNMGYLI-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401502349 924871124 /nfs/dbraw/zinc/87/11/24/924871124.db2.gz GHIFIEXNFXIGMO-GHMZBOCLSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401502349 924871131 /nfs/dbraw/zinc/87/11/31/924871131.db2.gz GHIFIEXNFXIGMO-GHMZBOCLSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401502384 924871197 /nfs/dbraw/zinc/87/11/97/924871197.db2.gz GHIFIEXNFXIGMO-WDEREUQCSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401502384 924871203 /nfs/dbraw/zinc/87/12/03/924871203.db2.gz GHIFIEXNFXIGMO-WDEREUQCSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401502374 924871669 /nfs/dbraw/zinc/87/16/69/924871669.db2.gz GHIFIEXNFXIGMO-MNOVXSKESA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401502374 924871678 /nfs/dbraw/zinc/87/16/78/924871678.db2.gz GHIFIEXNFXIGMO-MNOVXSKESA-N 2 2 312.374 -2.288 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)c[nH+]1 ZINC001401548609 924884694 /nfs/dbraw/zinc/88/46/94/924884694.db2.gz YLMMSINDYGSVIP-NEPJUHHUSA-N 2 2 323.397 -1.118 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401563190 924892351 /nfs/dbraw/zinc/89/23/51/924892351.db2.gz SLEZUFGIIKQYRD-RYUDHWBXSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401563190 924892358 /nfs/dbraw/zinc/89/23/58/924892358.db2.gz SLEZUFGIIKQYRD-RYUDHWBXSA-N 2 2 310.402 -1.134 20 0 DAADLP CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001401573838 924895964 /nfs/dbraw/zinc/89/59/64/924895964.db2.gz OFWXEZPCQMVGKW-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001401572223 924897661 /nfs/dbraw/zinc/89/76/61/924897661.db2.gz UXETUPFFGSQVNE-WDEREUQCSA-N 2 2 309.370 -1.394 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C(=O)NC1CC1 ZINC001401590738 924903321 /nfs/dbraw/zinc/90/33/21/924903321.db2.gz WLIPMCLCMGJRCE-MFKMUULPSA-N 2 2 323.397 -1.304 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001401859446 924924653 /nfs/dbraw/zinc/92/46/53/924924653.db2.gz BYEOOUUTFZAQHY-SNVBAGLBSA-N 2 2 322.369 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001401859435 924925852 /nfs/dbraw/zinc/92/58/52/924925852.db2.gz BYEOOUUTFZAQHY-JTQLQIEISA-N 2 2 322.369 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001401872538 924927720 /nfs/dbraw/zinc/92/77/20/924927720.db2.gz LVOLNSWRYXWDBR-LLVKDONJSA-N 2 2 322.369 -1.177 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001402239238 924952907 /nfs/dbraw/zinc/95/29/07/924952907.db2.gz LKAZJAGEQPGCSS-UHFFFAOYSA-N 2 2 309.370 -1.297 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402283700 924964046 /nfs/dbraw/zinc/96/40/46/924964046.db2.gz BTLDMQMYLAJDNQ-RISCZKNCSA-N 2 2 309.370 -1.300 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402283700 924964056 /nfs/dbraw/zinc/96/40/56/924964056.db2.gz BTLDMQMYLAJDNQ-RISCZKNCSA-N 2 2 309.370 -1.300 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402283687 924964207 /nfs/dbraw/zinc/96/42/07/924964207.db2.gz BTLDMQMYLAJDNQ-FZMZJTMJSA-N 2 2 309.370 -1.300 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402283687 924964210 /nfs/dbraw/zinc/96/42/10/924964210.db2.gz BTLDMQMYLAJDNQ-FZMZJTMJSA-N 2 2 309.370 -1.300 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402292859 924965838 /nfs/dbraw/zinc/96/58/38/924965838.db2.gz ODBGZSAWBXFCCQ-SWLSCSKDSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402292859 924965848 /nfs/dbraw/zinc/96/58/48/924965848.db2.gz ODBGZSAWBXFCCQ-SWLSCSKDSA-N 2 2 312.414 -1.230 20 0 DAADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001402309056 924970527 /nfs/dbraw/zinc/97/05/27/924970527.db2.gz HWYBEHMEHXOUQW-IUODEOHRSA-N 2 2 312.414 -1.101 20 0 DAADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001402309056 924970535 /nfs/dbraw/zinc/97/05/35/924970535.db2.gz HWYBEHMEHXOUQW-IUODEOHRSA-N 2 2 312.414 -1.101 20 0 DAADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402309056 924970541 /nfs/dbraw/zinc/97/05/41/924970541.db2.gz HWYBEHMEHXOUQW-IUODEOHRSA-N 2 2 312.414 -1.101 20 0 DAADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402309056 924970544 /nfs/dbraw/zinc/97/05/44/924970544.db2.gz HWYBEHMEHXOUQW-IUODEOHRSA-N 2 2 312.414 -1.101 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001402464582 925001086 /nfs/dbraw/zinc/00/10/86/925001086.db2.gz LMKBQDKATVVNEW-RYUDHWBXSA-N 2 2 323.397 -1.270 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001402598157 925014457 /nfs/dbraw/zinc/01/44/57/925014457.db2.gz LSUYBOMQSBGKPV-ZDUSSCGKSA-N 2 2 323.397 -1.132 20 0 DAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001402611819 925016519 /nfs/dbraw/zinc/01/65/19/925016519.db2.gz YZCQSEDOCVUXEF-DGCLKSJQSA-N 2 2 321.381 -1.252 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001402604444 925017025 /nfs/dbraw/zinc/01/70/25/925017025.db2.gz QLRRVYAYJVCLBE-WDEREUQCSA-N 2 2 309.370 -1.049 20 0 DAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001402611826 925017584 /nfs/dbraw/zinc/01/75/84/925017584.db2.gz YZCQSEDOCVUXEF-WCQYABFASA-N 2 2 321.381 -1.252 20 0 DAADLP COC[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001402695506 925023341 /nfs/dbraw/zinc/02/33/41/925023341.db2.gz QLDWKJWOZODESL-STQMWFEESA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001402814810 925030502 /nfs/dbraw/zinc/03/05/02/925030502.db2.gz XXQOMEYMWYIYBI-POQQGIQPSA-N 2 2 324.425 -1.125 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001402814810 925030513 /nfs/dbraw/zinc/03/05/13/925030513.db2.gz XXQOMEYMWYIYBI-POQQGIQPSA-N 2 2 324.425 -1.125 20 0 DAADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001402856638 925033320 /nfs/dbraw/zinc/03/33/20/925033320.db2.gz CMZNVIHGEPYHSX-VHSXEESVSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)NC(N)=O ZINC001403261627 925067794 /nfs/dbraw/zinc/06/77/94/925067794.db2.gz ZFKLBPFPNCQBCJ-NXEZZACHSA-N 2 2 322.369 -1.026 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001403451862 925079471 /nfs/dbraw/zinc/07/94/71/925079471.db2.gz ZDCFZYIRTFIVIE-XYPYZODXSA-N 2 2 322.369 -1.048 20 0 DAADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCNS(C)(=O)=O ZINC001403508246 925081852 /nfs/dbraw/zinc/08/18/52/925081852.db2.gz RACVTUJVBBXLMZ-NSHDSACASA-N 2 2 306.432 -1.322 20 0 DAADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCNS(C)(=O)=O ZINC001403508246 925081859 /nfs/dbraw/zinc/08/18/59/925081859.db2.gz RACVTUJVBBXLMZ-NSHDSACASA-N 2 2 306.432 -1.322 20 0 DAADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCNS(C)(=O)=O ZINC001403508246 925081869 /nfs/dbraw/zinc/08/18/69/925081869.db2.gz RACVTUJVBBXLMZ-NSHDSACASA-N 2 2 306.432 -1.322 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001403644367 925092845 /nfs/dbraw/zinc/09/28/45/925092845.db2.gz GFSKBSNPEGVWHS-NEPJUHHUSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403644367 925092859 /nfs/dbraw/zinc/09/28/59/925092859.db2.gz GFSKBSNPEGVWHS-NEPJUHHUSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403644378 925093789 /nfs/dbraw/zinc/09/37/89/925093789.db2.gz GFSKBSNPEGVWHS-VXGBXAGGSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403644378 925093799 /nfs/dbraw/zinc/09/37/99/925093799.db2.gz GFSKBSNPEGVWHS-VXGBXAGGSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001403644375 925094702 /nfs/dbraw/zinc/09/47/02/925094702.db2.gz GFSKBSNPEGVWHS-RYUDHWBXSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403644375 925094711 /nfs/dbraw/zinc/09/47/11/925094711.db2.gz GFSKBSNPEGVWHS-RYUDHWBXSA-N 2 2 310.402 -1.041 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403681798 925114379 /nfs/dbraw/zinc/11/43/79/925114379.db2.gz YUNHCYCPGHUAAX-OLZOCXBDSA-N 2 2 322.413 -1.276 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)C ZINC001403691013 925118062 /nfs/dbraw/zinc/11/80/62/925118062.db2.gz YQINRINEQASHHP-LBPRGKRZSA-N 2 2 311.386 -1.217 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001403735933 925134526 /nfs/dbraw/zinc/13/45/26/925134526.db2.gz VBCQRECIPWKSHA-LLVKDONJSA-N 2 2 309.370 -1.738 20 0 DAADLP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001403781882 925141246 /nfs/dbraw/zinc/14/12/46/925141246.db2.gz YTVAQXAJKYNKFR-GXSJLCMTSA-N 2 2 322.369 -1.264 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1[nH+]ccn1C ZINC001403842353 925152064 /nfs/dbraw/zinc/15/20/64/925152064.db2.gz BFPRETUXWRCKBZ-NWDGAFQWSA-N 2 2 323.397 -1.350 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)N(C)C ZINC001403845976 925152349 /nfs/dbraw/zinc/15/23/49/925152349.db2.gz RDDKTLSCHVBTFN-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)N(C)C ZINC001403845976 925152351 /nfs/dbraw/zinc/15/23/51/925152351.db2.gz RDDKTLSCHVBTFN-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)N(C)C ZINC001403845976 925152354 /nfs/dbraw/zinc/15/23/54/925152354.db2.gz RDDKTLSCHVBTFN-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)N(C)C ZINC001403845976 925152361 /nfs/dbraw/zinc/15/23/61/925152361.db2.gz RDDKTLSCHVBTFN-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001403856968 925156361 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CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001404932621 925224303 /nfs/dbraw/zinc/22/43/03/925224303.db2.gz KSOTWKMJXUQCJT-UHFFFAOYSA-N 2 2 311.386 -1.414 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001404910287 925225389 /nfs/dbraw/zinc/22/53/89/925225389.db2.gz LHGFCYRDMZEQMC-CYBMUJFWSA-N 2 2 310.398 -1.355 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(=O)NC)C1 ZINC001404916439 925225879 /nfs/dbraw/zinc/22/58/79/925225879.db2.gz AFARVBPGQZRDGC-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(=O)NC)C1 ZINC001404916439 925225887 /nfs/dbraw/zinc/22/58/87/925225887.db2.gz AFARVBPGQZRDGC-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001405038615 925232585 /nfs/dbraw/zinc/23/25/85/925232585.db2.gz CUODFLNXEMAMTH-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001405038615 925232594 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311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001405041424 925235809 /nfs/dbraw/zinc/23/58/09/925235809.db2.gz SSJLAFFLDNHBRH-MNOVXSKESA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001405041424 925235819 /nfs/dbraw/zinc/23/58/19/925235819.db2.gz SSJLAFFLDNHBRH-MNOVXSKESA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001405041424 925235826 /nfs/dbraw/zinc/23/58/26/925235826.db2.gz SSJLAFFLDNHBRH-MNOVXSKESA-N 2 2 311.386 -1.416 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001405344220 925294247 /nfs/dbraw/zinc/29/42/47/925294247.db2.gz MIPUYRLCWNLVFU-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001405344220 925294250 /nfs/dbraw/zinc/29/42/50/925294250.db2.gz MIPUYRLCWNLVFU-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP 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/nfs/dbraw/zinc/47/85/16/925478516.db2.gz UAOZVDXTSLOMDN-DOMZBBRYSA-N 2 2 312.414 -1.230 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CC(N)=O)C1 ZINC001407631039 925511924 /nfs/dbraw/zinc/51/19/24/925511924.db2.gz RIXYREYKZYJQPS-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CC(N)=O)C1 ZINC001407631039 925511930 /nfs/dbraw/zinc/51/19/30/925511930.db2.gz RIXYREYKZYJQPS-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001407631039 925511936 /nfs/dbraw/zinc/51/19/36/925511936.db2.gz RIXYREYKZYJQPS-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001407631039 925511944 /nfs/dbraw/zinc/51/19/44/925511944.db2.gz RIXYREYKZYJQPS-CQSZACIVSA-N 2 2 300.403 -1.243 20 0 DAADLP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001408068106 925543068 /nfs/dbraw/zinc/54/30/68/925543068.db2.gz VCTLRFUALLHWSE-HNNXBMFYSA-N 2 2 323.397 -1.050 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001408103666 925548269 /nfs/dbraw/zinc/54/82/69/925548269.db2.gz ZOYMNVMWXFNVCN-ONGXEEELSA-N 2 2 322.369 -1.156 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001408274368 925561899 /nfs/dbraw/zinc/56/18/99/925561899.db2.gz IFYSSPMOZPDQFD-LBPRGKRZSA-N 2 2 312.414 -1.101 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001408274368 925561907 /nfs/dbraw/zinc/56/19/07/925561907.db2.gz IFYSSPMOZPDQFD-LBPRGKRZSA-N 2 2 312.414 -1.101 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001410653633 925747377 /nfs/dbraw/zinc/74/73/77/925747377.db2.gz JOUHLOVPJSUTDU-ZIAGYGMSSA-N 2 2 322.413 -1.276 20 0 DAADLP CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001410692504 925760005 /nfs/dbraw/zinc/76/00/05/925760005.db2.gz FBDMYVLSUOFVPD-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001410709172 925763817 /nfs/dbraw/zinc/76/38/17/925763817.db2.gz RCRJMXTUGHHROF-QWHCGFSZSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001410709172 925763824 /nfs/dbraw/zinc/76/38/24/925763824.db2.gz RCRJMXTUGHHROF-QWHCGFSZSA-N 2 2 310.402 -1.041 20 0 DAADLP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2c[nH+]cn2C)C1=O ZINC001410760217 925773038 /nfs/dbraw/zinc/77/30/38/925773038.db2.gz YMAUFBUULDTRPT-WCQYABFASA-N 2 2 323.397 -1.350 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410792162 925784290 /nfs/dbraw/zinc/78/42/90/925784290.db2.gz RJMBNCZBWWHOSK-GFCCVEGCSA-N 2 2 310.402 -1.040 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001410807478 925785908 /nfs/dbraw/zinc/78/59/08/925785908.db2.gz XWYUTYKOSMVPLE-YPMHNXCESA-N 2 2 312.418 -1.032 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001411057786 925806123 /nfs/dbraw/zinc/80/61/23/925806123.db2.gz WHXYSZOAMYWDRO-ZDUSSCGKSA-N 2 2 321.385 -1.071 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001411057784 925806225 /nfs/dbraw/zinc/80/62/25/925806225.db2.gz WHXYSZOAMYWDRO-CYBMUJFWSA-N 2 2 321.385 -1.071 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001411092142 925810729 /nfs/dbraw/zinc/81/07/29/925810729.db2.gz HKDXADHWIGAUIA-GMTAPVOTSA-N 2 2 309.370 -1.582 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001411092146 925810996 /nfs/dbraw/zinc/81/09/96/925810996.db2.gz HKDXADHWIGAUIA-HBNTYKKESA-N 2 2 309.370 -1.582 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001411120087 925812979 /nfs/dbraw/zinc/81/29/79/925812979.db2.gz AZBQHDYSSWTULB-CYBMUJFWSA-N 2 2 321.385 -1.071 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001411128101 925815083 /nfs/dbraw/zinc/81/50/83/925815083.db2.gz OJUVOJWBYCWOFL-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001411125594 925815867 /nfs/dbraw/zinc/81/58/67/925815867.db2.gz KOGADNFISSFAMP-LLVKDONJSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001411124080 925816783 /nfs/dbraw/zinc/81/67/83/925816783.db2.gz JCUGCDGORRTBTB-QWRGUYRKSA-N 2 2 309.370 -1.408 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001411137362 925817405 /nfs/dbraw/zinc/81/74/05/925817405.db2.gz FIJKZBBLIWDADS-OLZOCXBDSA-N 2 2 323.397 -1.350 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001411134030 925818465 /nfs/dbraw/zinc/81/84/65/925818465.db2.gz WPUUCMINNQMXLH-VXGBXAGGSA-N 2 2 311.386 -1.231 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)CCn1cncn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411187282 925830021 /nfs/dbraw/zinc/83/00/21/925830021.db2.gz NCBXIIXQAHIWQP-CYBMUJFWSA-N 2 2 321.385 -1.005 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411187282 925830026 /nfs/dbraw/zinc/83/00/26/925830026.db2.gz NCBXIIXQAHIWQP-CYBMUJFWSA-N 2 2 321.385 -1.005 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914437 925983077 /nfs/dbraw/zinc/98/30/77/925983077.db2.gz GZYQKQCZSHBZBY-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914437 925983083 /nfs/dbraw/zinc/98/30/83/925983083.db2.gz GZYQKQCZSHBZBY-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001413975915 926092518 /nfs/dbraw/zinc/09/25/18/926092518.db2.gz KSJJXMARNPXJKL-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001413979141 926092758 /nfs/dbraw/zinc/09/27/58/926092758.db2.gz QFMWBVFFLWUFHK-GHMZBOCLSA-N 2 2 309.370 -1.408 20 0 DAADLP C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001414320800 926117836 /nfs/dbraw/zinc/11/78/36/926117836.db2.gz FYEZGGMNLZHKMM-CYBMUJFWSA-N 2 2 320.459 -1.133 20 0 DAADLP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001415982674 926213606 /nfs/dbraw/zinc/21/36/06/926213606.db2.gz IUVRPLNPHHMCHD-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001415982674 926213614 /nfs/dbraw/zinc/21/36/14/926213614.db2.gz IUVRPLNPHHMCHD-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740420 926259786 /nfs/dbraw/zinc/25/97/86/926259786.db2.gz KIPAWYMSXCHDNL-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740420 926259796 /nfs/dbraw/zinc/25/97/96/926259796.db2.gz KIPAWYMSXCHDNL-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416755576 926265138 /nfs/dbraw/zinc/26/51/38/926265138.db2.gz DRBUHVHFUGRAFR-GFCCVEGCSA-N 2 2 320.353 -1.318 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416759871 926267441 /nfs/dbraw/zinc/26/74/41/926267441.db2.gz IQMRBOUUDYKTPC-LBPRGKRZSA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416759871 926267448 /nfs/dbraw/zinc/26/74/48/926267448.db2.gz IQMRBOUUDYKTPC-LBPRGKRZSA-N 2 2 311.386 -1.114 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416766880 926269431 /nfs/dbraw/zinc/26/94/31/926269431.db2.gz ANVSUXCYQULZNB-GFCCVEGCSA-N 2 2 320.353 -1.318 20 0 DAADLP CC[C@@H](C(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001417927840 926348174 /nfs/dbraw/zinc/34/81/74/926348174.db2.gz LHVVTOUOQNDEGE-OLZOCXBDSA-N 2 2 313.446 -1.066 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001417919285 926348574 /nfs/dbraw/zinc/34/85/74/926348574.db2.gz YEBAQIZVUSTFNY-OLZOCXBDSA-N 2 2 311.430 -1.312 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001417919285 926348581 /nfs/dbraw/zinc/34/85/81/926348581.db2.gz YEBAQIZVUSTFNY-OLZOCXBDSA-N 2 2 311.430 -1.312 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001417922113 926349260 /nfs/dbraw/zinc/34/92/60/926349260.db2.gz HQCUJGDSUILOBQ-ZDUSSCGKSA-N 2 2 313.446 -1.064 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001417922111 926349330 /nfs/dbraw/zinc/34/93/30/926349330.db2.gz HQCUJGDSUILOBQ-CYBMUJFWSA-N 2 2 313.446 -1.064 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)nc1=O ZINC001418010425 926356939 /nfs/dbraw/zinc/35/69/39/926356939.db2.gz IWGWNKYJRXPCMH-LLVKDONJSA-N 2 2 319.369 -1.011 20 0 DAADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(=O)NC(N)=O ZINC001418254449 926377194 /nfs/dbraw/zinc/37/71/94/926377194.db2.gz UUHDIOYGXHWBPV-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418294545 926378967 /nfs/dbraw/zinc/37/89/67/926378967.db2.gz YKCZCJCCXWNUQS-BDAKNGLRSA-N 2 2 310.358 -1.109 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418294551 926379208 /nfs/dbraw/zinc/37/92/08/926379208.db2.gz YKCZCJCCXWNUQS-IUCAKERBSA-N 2 2 310.358 -1.109 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCOCC1 ZINC001418318826 926381705 /nfs/dbraw/zinc/38/17/05/926381705.db2.gz CEBZLVGCLBUWNF-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001418417106 926389122 /nfs/dbraw/zinc/38/91/22/926389122.db2.gz IPOWOLUVZCTBOG-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(=O)NC(N)=O ZINC001418572164 926405311 /nfs/dbraw/zinc/40/53/11/926405311.db2.gz XVKISMXJIOEMPN-JTQLQIEISA-N 2 2 324.385 -1.016 20 0 DAADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(=O)NC(N)=O ZINC001418572164 926405321 /nfs/dbraw/zinc/40/53/21/926405321.db2.gz XVKISMXJIOEMPN-JTQLQIEISA-N 2 2 324.385 -1.016 20 0 DAADLP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001419129480 926459778 /nfs/dbraw/zinc/45/97/78/926459778.db2.gz NVAJBWHCNDPNNA-KBPBESRZSA-N 2 2 314.430 -1.568 20 0 DAADLP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001419129480 926459784 /nfs/dbraw/zinc/45/97/84/926459784.db2.gz NVAJBWHCNDPNNA-KBPBESRZSA-N 2 2 314.430 -1.568 20 0 DAADLP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001419129546 926461177 /nfs/dbraw/zinc/46/11/77/926461177.db2.gz NVAJBWHCNDPNNA-UONOGXRCSA-N 2 2 314.430 -1.568 20 0 DAADLP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001419129546 926461182 /nfs/dbraw/zinc/46/11/82/926461182.db2.gz NVAJBWHCNDPNNA-UONOGXRCSA-N 2 2 314.430 -1.568 20 0 DAADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(=O)NC ZINC001419263543 926470338 /nfs/dbraw/zinc/47/03/38/926470338.db2.gz BEHRHQYBGXJTQH-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419564939 926486938 /nfs/dbraw/zinc/48/69/38/926486938.db2.gz GSVFHJAWQPIMEP-JTQLQIEISA-N 2 2 322.369 -1.025 20 0 DAADLP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581418 926488431 /nfs/dbraw/zinc/48/84/31/926488431.db2.gz WEAYLZYXBYCXIC-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581418 926488439 /nfs/dbraw/zinc/48/84/39/926488439.db2.gz WEAYLZYXBYCXIC-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581416 926489218 /nfs/dbraw/zinc/48/92/18/926489218.db2.gz WEAYLZYXBYCXIC-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581416 926489224 /nfs/dbraw/zinc/48/92/24/926489224.db2.gz WEAYLZYXBYCXIC-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581422 926489291 /nfs/dbraw/zinc/48/92/91/926489291.db2.gz WEAYLZYXBYCXIC-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581422 926489297 /nfs/dbraw/zinc/48/92/97/926489297.db2.gz WEAYLZYXBYCXIC-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001419744470 926496195 /nfs/dbraw/zinc/49/61/95/926496195.db2.gz PWTTVNUXVJWCDK-VIFPVBQESA-N 2 2 310.358 -1.156 20 0 DAADLP CN(CC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001420052852 926517111 /nfs/dbraw/zinc/51/71/11/926517111.db2.gz VUWHILKGMHUPQQ-NSHDSACASA-N 2 2 310.402 -1.050 20 0 DAADLP CN(CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001420052852 926517113 /nfs/dbraw/zinc/51/71/13/926517113.db2.gz VUWHILKGMHUPQQ-NSHDSACASA-N 2 2 310.402 -1.050 20 0 DAADLP CN(CC[NH+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001420052852 926517119 /nfs/dbraw/zinc/51/71/19/926517119.db2.gz VUWHILKGMHUPQQ-NSHDSACASA-N 2 2 310.402 -1.050 20 0 DAADLP CN(CC[NH+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420052852 926517126 /nfs/dbraw/zinc/51/71/26/926517126.db2.gz VUWHILKGMHUPQQ-NSHDSACASA-N 2 2 310.402 -1.050 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420108985 926524495 /nfs/dbraw/zinc/52/44/95/926524495.db2.gz KPKKAOFXCGMEHK-WDEREUQCSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420108985 926524504 /nfs/dbraw/zinc/52/45/04/926524504.db2.gz KPKKAOFXCGMEHK-WDEREUQCSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420108976 926524840 /nfs/dbraw/zinc/52/48/40/926524840.db2.gz KPKKAOFXCGMEHK-MNOVXSKESA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420108976 926524847 /nfs/dbraw/zinc/52/48/47/926524847.db2.gz KPKKAOFXCGMEHK-MNOVXSKESA-N 2 2 312.374 -2.288 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC001420108184 926525576 /nfs/dbraw/zinc/52/55/76/926525576.db2.gz KMGSYIUNVHSOPG-KBPBESRZSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC001420108184 926525584 /nfs/dbraw/zinc/52/55/84/926525584.db2.gz KMGSYIUNVHSOPG-KBPBESRZSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC001420108187 926525961 /nfs/dbraw/zinc/52/59/61/926525961.db2.gz KMGSYIUNVHSOPG-KGLIPLIRSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC001420108187 926525967 /nfs/dbraw/zinc/52/59/67/926525967.db2.gz KMGSYIUNVHSOPG-KGLIPLIRSA-N 2 2 323.397 -1.318 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420142587 926539357 /nfs/dbraw/zinc/53/93/57/926539357.db2.gz FHYRTXHFGBQJDO-RYUDHWBXSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420142587 926539364 /nfs/dbraw/zinc/53/93/64/926539364.db2.gz FHYRTXHFGBQJDO-RYUDHWBXSA-N 2 2 310.402 -1.134 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001420151864 926544606 /nfs/dbraw/zinc/54/46/06/926544606.db2.gz WKUQIJSQDDPOJB-AAEUAGOBSA-N 2 2 323.397 -1.352 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001420176265 926554502 /nfs/dbraw/zinc/55/45/02/926554502.db2.gz RVKFXAVJESEVSA-HBNTYKKESA-N 2 2 309.370 -1.664 20 0 DAADLP CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001420190916 926559250 /nfs/dbraw/zinc/55/92/50/926559250.db2.gz GBLYCOOGJKNRAS-CYBMUJFWSA-N 2 2 323.397 -1.350 20 0 DAADLP CN1CCC[C@H]([N@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001420195803 926561566 /nfs/dbraw/zinc/56/15/66/926561566.db2.gz LEYVVSUWCDHNKJ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001420195803 926561573 /nfs/dbraw/zinc/56/15/73/926561573.db2.gz LEYVVSUWCDHNKJ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001420195803 926561580 /nfs/dbraw/zinc/56/15/80/926561580.db2.gz LEYVVSUWCDHNKJ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@H]([NH+](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001420195803 926561586 /nfs/dbraw/zinc/56/15/86/926561586.db2.gz LEYVVSUWCDHNKJ-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@@H]([N@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001420195792 926561610 /nfs/dbraw/zinc/56/16/10/926561610.db2.gz LEYVVSUWCDHNKJ-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001420195792 926561617 /nfs/dbraw/zinc/56/16/17/926561617.db2.gz LEYVVSUWCDHNKJ-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001420195792 926561623 /nfs/dbraw/zinc/56/16/23/926561623.db2.gz LEYVVSUWCDHNKJ-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN1CCC[C@@H]([NH+](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001420195792 926561629 /nfs/dbraw/zinc/56/16/29/926561629.db2.gz LEYVVSUWCDHNKJ-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC001420311137 926581084 /nfs/dbraw/zinc/58/10/84/926581084.db2.gz PVCNQVFYEPWJPR-UHFFFAOYSA-N 2 2 313.402 -1.039 20 0 DAADLP C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC001420311137 926581090 /nfs/dbraw/zinc/58/10/90/926581090.db2.gz PVCNQVFYEPWJPR-UHFFFAOYSA-N 2 2 313.402 -1.039 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001420351810 926585435 /nfs/dbraw/zinc/58/54/35/926585435.db2.gz NEDCHROZQIYMMQ-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001420351810 926585439 /nfs/dbraw/zinc/58/54/39/926585439.db2.gz NEDCHROZQIYMMQ-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001420351810 926585446 /nfs/dbraw/zinc/58/54/46/926585446.db2.gz NEDCHROZQIYMMQ-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001420351810 926585455 /nfs/dbraw/zinc/58/54/55/926585455.db2.gz NEDCHROZQIYMMQ-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001420750179 926614555 /nfs/dbraw/zinc/61/45/55/926614555.db2.gz VGSSXKAIAFYKMF-CHWSQXEVSA-N 2 2 312.414 -1.063 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001420750179 926614562 /nfs/dbraw/zinc/61/45/62/926614562.db2.gz VGSSXKAIAFYKMF-CHWSQXEVSA-N 2 2 312.414 -1.063 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421388493 926683273 /nfs/dbraw/zinc/68/32/73/926683273.db2.gz IDBGSVRWNBHITI-SMDDNHRTSA-N 2 2 307.354 -1.675 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421388493 926683278 /nfs/dbraw/zinc/68/32/78/926683278.db2.gz IDBGSVRWNBHITI-SMDDNHRTSA-N 2 2 307.354 -1.675 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001421635929 926736657 /nfs/dbraw/zinc/73/66/57/926736657.db2.gz PAEJYXSTPFSZRA-IJLUTSLNSA-N 2 2 323.397 -1.192 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O ZINC001421631922 926737992 /nfs/dbraw/zinc/73/79/92/926737992.db2.gz ACPQKMPQAOTYEV-ZDUSSCGKSA-N 2 2 323.397 -1.396 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001421641083 926739271 /nfs/dbraw/zinc/73/92/71/926739271.db2.gz FACOTOKAXTUJCU-GFCCVEGCSA-N 2 2 311.386 -1.230 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001421645007 926740282 /nfs/dbraw/zinc/74/02/82/926740282.db2.gz NQMUBNYSBUFOTJ-CYBMUJFWSA-N 2 2 323.397 -1.348 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674499 926741811 /nfs/dbraw/zinc/74/18/11/926741811.db2.gz ISLWIYAVKYVKGK-VXGBXAGGSA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674499 926741819 /nfs/dbraw/zinc/74/18/19/926741819.db2.gz ISLWIYAVKYVKGK-VXGBXAGGSA-N 2 2 310.402 -1.012 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421750846 926749537 /nfs/dbraw/zinc/74/95/37/926749537.db2.gz TZNQSRMXHLSEDL-SECBINFHSA-N 2 2 310.358 -1.250 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421750849 926750162 /nfs/dbraw/zinc/75/01/62/926750162.db2.gz TZNQSRMXHLSEDL-VIFPVBQESA-N 2 2 310.358 -1.250 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001421802528 926758927 /nfs/dbraw/zinc/75/89/27/926758927.db2.gz FIEBALXLCROFQQ-LBPRGKRZSA-N 2 2 323.397 -1.084 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001421812493 926764184 /nfs/dbraw/zinc/76/41/84/926764184.db2.gz AUEGOCWQMAPYTO-NSHDSACASA-N 2 2 309.370 -1.143 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001421822679 926764422 /nfs/dbraw/zinc/76/44/22/926764422.db2.gz NCOWZLQGQMNOLZ-NEPJUHHUSA-N 2 2 312.370 -1.224 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001422095029 926788274 /nfs/dbraw/zinc/78/82/74/926788274.db2.gz VRDCLAHMFSOGTM-UHFFFAOYSA-N 2 2 323.397 -1.219 20 0 DAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001422314131 926824870 /nfs/dbraw/zinc/82/48/70/926824870.db2.gz JOZJIGHIEXNMMF-NSHDSACASA-N 2 2 309.370 -1.686 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001422342540 926839106 /nfs/dbraw/zinc/83/91/06/926839106.db2.gz KFFWEWQCGNBBFG-NWDGAFQWSA-N 2 2 311.386 -1.183 20 0 DAADLP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001422347459 926842491 /nfs/dbraw/zinc/84/24/91/926842491.db2.gz OPTJHHIKJGOCNM-LBPRGKRZSA-N 2 2 307.358 -1.331 20 0 DAADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001422375795 926854750 /nfs/dbraw/zinc/85/47/50/926854750.db2.gz OEMWCTOLJDTWPF-UWVGGRQHSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)c1nncn1C ZINC001422397075 926862353 /nfs/dbraw/zinc/86/23/53/926862353.db2.gz KCBCXWYTKDDQQT-JQWIXIFHSA-N 2 2 321.385 -1.081 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001422404229 926865675 /nfs/dbraw/zinc/86/56/75/926865675.db2.gz USYWHAXCKJWYLA-LBPRGKRZSA-N 2 2 309.370 -1.692 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419874 926870350 /nfs/dbraw/zinc/87/03/50/926870350.db2.gz ZGPKHLLQKHALDR-OLZOCXBDSA-N 2 2 312.370 -1.038 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419874 926870366 /nfs/dbraw/zinc/87/03/66/926870366.db2.gz ZGPKHLLQKHALDR-OLZOCXBDSA-N 2 2 312.370 -1.038 20 0 DAADLP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422432748 926873023 /nfs/dbraw/zinc/87/30/23/926873023.db2.gz YUAUGSOVNVXTID-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422432748 926873026 /nfs/dbraw/zinc/87/30/26/926873026.db2.gz YUAUGSOVNVXTID-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422432766 926873346 /nfs/dbraw/zinc/87/33/46/926873346.db2.gz YUAUGSOVNVXTID-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422432766 926873358 /nfs/dbraw/zinc/87/33/58/926873358.db2.gz YUAUGSOVNVXTID-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422474691 926876869 /nfs/dbraw/zinc/87/68/69/926876869.db2.gz HQXQSQCNVOLNIB-YPMHNXCESA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422474691 926876872 /nfs/dbraw/zinc/87/68/72/926876872.db2.gz HQXQSQCNVOLNIB-YPMHNXCESA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422565476 926887028 /nfs/dbraw/zinc/88/70/28/926887028.db2.gz LKBQJNVLCWPNGW-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001422605272 926890861 /nfs/dbraw/zinc/89/08/61/926890861.db2.gz RXZQOCSQHMUHGS-VXGBXAGGSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001422605272 926890870 /nfs/dbraw/zinc/89/08/70/926890870.db2.gz RXZQOCSQHMUHGS-VXGBXAGGSA-N 2 2 300.403 -1.124 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001422660251 926906151 /nfs/dbraw/zinc/90/61/51/926906151.db2.gz WOVRVJIARDACJO-STQMWFEESA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001422660251 926906158 /nfs/dbraw/zinc/90/61/58/926906158.db2.gz WOVRVJIARDACJO-STQMWFEESA-N 2 2 315.414 -1.502 20 0 DAADLP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751354 926914601 /nfs/dbraw/zinc/91/46/01/926914601.db2.gz IMBHPSOZSACEGD-ZJUUUORDSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751354 926914613 /nfs/dbraw/zinc/91/46/13/926914613.db2.gz IMBHPSOZSACEGD-ZJUUUORDSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001422936042 926931278 /nfs/dbraw/zinc/93/12/78/926931278.db2.gz NSFREQDDMIAHCR-MNOVXSKESA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001422936042 926931289 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COCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001423639436 927101182 /nfs/dbraw/zinc/10/11/82/927101182.db2.gz DEBQEDPTAZKNAU-RYUDHWBXSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001423639436 927101186 /nfs/dbraw/zinc/10/11/86/927101186.db2.gz DEBQEDPTAZKNAU-RYUDHWBXSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001423639436 927101191 /nfs/dbraw/zinc/10/11/91/927101191.db2.gz DEBQEDPTAZKNAU-RYUDHWBXSA-N 2 2 300.403 -1.124 20 0 DAADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001423758671 927114125 /nfs/dbraw/zinc/11/41/25/927114125.db2.gz IQGFNGGFOMJKCI-IUODEOHRSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001423758671 927114130 /nfs/dbraw/zinc/11/41/30/927114130.db2.gz IQGFNGGFOMJKCI-IUODEOHRSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001423758662 927115474 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0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001423757565 927115857 /nfs/dbraw/zinc/11/58/57/927115857.db2.gz HNUSWZSJGSXBSH-DOMZBBRYSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423757565 927115866 /nfs/dbraw/zinc/11/58/66/927115866.db2.gz HNUSWZSJGSXBSH-DOMZBBRYSA-N 2 2 312.414 -1.230 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423772272 927124079 /nfs/dbraw/zinc/12/40/79/927124079.db2.gz GJSMTYJEWSPTIE-BXUZGUMPSA-N 2 2 309.370 -1.382 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423772272 927124093 /nfs/dbraw/zinc/12/40/93/927124093.db2.gz GJSMTYJEWSPTIE-BXUZGUMPSA-N 2 2 309.370 -1.382 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001423791252 927128397 /nfs/dbraw/zinc/12/83/97/927128397.db2.gz IKOFAQYXIOLYSG-AWEZNQCLSA-N 2 2 319.369 -1.203 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001423791252 927128407 /nfs/dbraw/zinc/12/84/07/927128407.db2.gz IKOFAQYXIOLYSG-AWEZNQCLSA-N 2 2 319.369 -1.203 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001423798161 927130338 /nfs/dbraw/zinc/13/03/38/927130338.db2.gz FGYLVCCQYCPVBY-RISCZKNCSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001423798161 927130346 /nfs/dbraw/zinc/13/03/46/927130346.db2.gz FGYLVCCQYCPVBY-RISCZKNCSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001423798161 927130355 /nfs/dbraw/zinc/13/03/55/927130355.db2.gz FGYLVCCQYCPVBY-RISCZKNCSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001423798161 927130359 /nfs/dbraw/zinc/13/03/59/927130359.db2.gz FGYLVCCQYCPVBY-RISCZKNCSA-N 2 2 314.386 -2.255 20 0 DAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001423943931 927173800 /nfs/dbraw/zinc/17/38/00/927173800.db2.gz DONOGFCAUWDMMG-MNOVXSKESA-N 2 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C[NH+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001424021160 927182600 /nfs/dbraw/zinc/18/26/00/927182600.db2.gz BIQYRQGLMOPTQZ-WFASDCNBSA-N 2 2 312.414 -1.243 20 0 DAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001424229223 927210321 /nfs/dbraw/zinc/21/03/21/927210321.db2.gz NDTFOLHHFSUZAK-IJLUTSLNSA-N 2 2 321.381 -1.174 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001425426447 927355382 /nfs/dbraw/zinc/35/53/82/927355382.db2.gz LLUZDQUZJFXHAS-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001425426447 927355398 /nfs/dbraw/zinc/35/53/98/927355398.db2.gz LLUZDQUZJFXHAS-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@H](CO)CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001425430974 927359368 /nfs/dbraw/zinc/35/93/68/927359368.db2.gz XQHVLKFDRYXXQT-LBPRGKRZSA-N 2 2 323.397 -1.039 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001425494029 927378947 /nfs/dbraw/zinc/37/89/47/927378947.db2.gz MBRYFCLDXCSVFY-NSHDSACASA-N 2 2 311.386 -1.194 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425517988 927387114 /nfs/dbraw/zinc/38/71/14/927387114.db2.gz GSDFMMMCVYZMNQ-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425517988 927387128 /nfs/dbraw/zinc/38/71/28/927387128.db2.gz GSDFMMMCVYZMNQ-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001425541684 927392287 /nfs/dbraw/zinc/39/22/87/927392287.db2.gz VEGZGCOBNDZDSL-NEPJUHHUSA-N 2 2 311.386 -1.114 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001425735730 927413096 /nfs/dbraw/zinc/41/30/96/927413096.db2.gz OHORRJPHWOYVNV-CHWSQXEVSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001425735730 927413101 /nfs/dbraw/zinc/41/31/01/927413101.db2.gz OHORRJPHWOYVNV-CHWSQXEVSA-N 2 2 311.386 -1.683 20 0 DAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001425787037 927446343 /nfs/dbraw/zinc/44/63/43/927446343.db2.gz PKKSCQBKUZYDHE-BDAKNGLRSA-N 2 2 313.358 -1.710 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001425794996 927451204 /nfs/dbraw/zinc/45/12/04/927451204.db2.gz HZJOTCGCMIKRHL-RYUDHWBXSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425794996 927451213 /nfs/dbraw/zinc/45/12/13/927451213.db2.gz HZJOTCGCMIKRHL-RYUDHWBXSA-N 2 2 323.397 -1.161 20 0 DAADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001425812337 927458044 /nfs/dbraw/zinc/45/80/44/927458044.db2.gz ABJMMESRPOPVIX-QWRGUYRKSA-N 2 2 311.386 -1.053 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425846695 927475807 /nfs/dbraw/zinc/47/58/07/927475807.db2.gz JOBSHDDKTQQTFC-SECBINFHSA-N 2 2 312.330 -2.595 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001425852410 927479657 /nfs/dbraw/zinc/47/96/57/927479657.db2.gz LKOKKCMFMAAWHW-YPMHNXCESA-N 2 2 323.397 -1.302 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001425861106 927481007 /nfs/dbraw/zinc/48/10/07/927481007.db2.gz WSTNKMCTWFTBCY-MNOVXSKESA-N 2 2 311.386 -1.446 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001426013614 927505249 /nfs/dbraw/zinc/50/52/49/927505249.db2.gz HKJHTJOZOQIESE-GMTAPVOTSA-N 2 2 309.370 -1.332 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001426041278 927515435 /nfs/dbraw/zinc/51/54/35/927515435.db2.gz GDRKRZAJLCIPIK-VXGBXAGGSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001426041254 927515985 /nfs/dbraw/zinc/51/59/85/927515985.db2.gz GDRKRZAJLCIPIK-NEPJUHHUSA-N 2 2 323.397 -1.052 20 0 DAADLP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426055935 927516615 /nfs/dbraw/zinc/51/66/15/927516615.db2.gz IWEKUQKGOPNBNA-NEPJUHHUSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426055935 927516623 /nfs/dbraw/zinc/51/66/23/927516623.db2.gz IWEKUQKGOPNBNA-NEPJUHHUSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426055935 927516633 /nfs/dbraw/zinc/51/66/33/927516633.db2.gz IWEKUQKGOPNBNA-NEPJUHHUSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426055935 927516643 /nfs/dbraw/zinc/51/66/43/927516643.db2.gz IWEKUQKGOPNBNA-NEPJUHHUSA-N 2 2 316.402 -2.186 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001426051211 927518614 /nfs/dbraw/zinc/51/86/14/927518614.db2.gz ISKFEKHFYQECOD-LBPRGKRZSA-N 2 2 321.385 -1.071 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001426685966 927573548 /nfs/dbraw/zinc/57/35/48/927573548.db2.gz MXFRAJVSFKKPFJ-NEPJUHHUSA-N 2 2 309.370 -1.408 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001427821964 927681536 /nfs/dbraw/zinc/68/15/36/927681536.db2.gz GDRMSESJGXCRKF-RYUDHWBXSA-N 2 2 309.370 -1.572 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001427821964 927681546 /nfs/dbraw/zinc/68/15/46/927681546.db2.gz GDRMSESJGXCRKF-RYUDHWBXSA-N 2 2 309.370 -1.572 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427910612 927704113 /nfs/dbraw/zinc/70/41/13/927704113.db2.gz PTKRUXLCBGXKPU-RYUDHWBXSA-N 2 2 323.397 -1.194 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427910612 927704121 /nfs/dbraw/zinc/70/41/21/927704121.db2.gz PTKRUXLCBGXKPU-RYUDHWBXSA-N 2 2 323.397 -1.194 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968755 927722221 /nfs/dbraw/zinc/72/22/21/927722221.db2.gz FKZAQUNEUUNJPC-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968755 927722233 /nfs/dbraw/zinc/72/22/33/927722233.db2.gz FKZAQUNEUUNJPC-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968764 927723414 /nfs/dbraw/zinc/72/34/14/927723414.db2.gz FKZAQUNEUUNJPC-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968764 927723422 /nfs/dbraw/zinc/72/34/22/927723422.db2.gz FKZAQUNEUUNJPC-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968769 927723766 /nfs/dbraw/zinc/72/37/66/927723766.db2.gz FKZAQUNEUUNJPC-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968769 927723773 /nfs/dbraw/zinc/72/37/73/927723773.db2.gz FKZAQUNEUUNJPC-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001428938799 927829280 /nfs/dbraw/zinc/82/92/80/927829280.db2.gz NXXMXRUUDWEVBK-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431569357 928067792 /nfs/dbraw/zinc/06/77/92/928067792.db2.gz KSNAFEXFEMSNER-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431569357 928067799 /nfs/dbraw/zinc/06/77/99/928067799.db2.gz KSNAFEXFEMSNER-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431577995 928069978 /nfs/dbraw/zinc/06/99/78/928069978.db2.gz XKZYFQITGQHKFJ-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431577995 928069984 /nfs/dbraw/zinc/06/99/84/928069984.db2.gz XKZYFQITGQHKFJ-QWHCGFSZSA-N 2 2 323.397 -1.182 20 0 DAADLP C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001433337684 928218524 /nfs/dbraw/zinc/21/85/24/928218524.db2.gz XBJBMNJSKZRIRB-GFCCVEGCSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+](CC(=O)N1CCC[NH+](CC(N)=O)CC1)[C@@H]1CCC[C@H]1O ZINC001433672009 928252319 /nfs/dbraw/zinc/25/23/19/928252319.db2.gz UQZWBOURRVBSEF-CHWSQXEVSA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)[C@@H]1CCC[C@H]1O ZINC001433672009 928252347 /nfs/dbraw/zinc/25/23/47/928252347.db2.gz UQZWBOURRVBSEF-CHWSQXEVSA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)[C@@H]1CCC[C@H]1O ZINC001433672009 928252359 /nfs/dbraw/zinc/25/23/59/928252359.db2.gz UQZWBOURRVBSEF-CHWSQXEVSA-N 2 2 312.414 -1.149 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482619 928356499 /nfs/dbraw/zinc/35/64/99/928356499.db2.gz PYBBGGJMHLTKSU-GARJFASQSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482619 928356512 /nfs/dbraw/zinc/35/65/12/928356512.db2.gz PYBBGGJMHLTKSU-GARJFASQSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482619 928356525 /nfs/dbraw/zinc/35/65/25/928356525.db2.gz PYBBGGJMHLTKSU-GARJFASQSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482619 928356535 /nfs/dbraw/zinc/35/65/35/928356535.db2.gz PYBBGGJMHLTKSU-GARJFASQSA-N 2 2 302.375 -2.556 20 0 DAADLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)CC1 ZINC001434464436 928358235 /nfs/dbraw/zinc/35/82/35/928358235.db2.gz OLTLYJPCRQAIMD-UHFFFAOYSA-N 2 2 318.443 -1.050 20 0 DAADLP C[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001434548148 928362667 /nfs/dbraw/zinc/36/26/67/928362667.db2.gz PZHZSESAIJNSPL-CYBMUJFWSA-N 2 2 319.475 -1.296 20 0 DAADLP C[C@@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(=O)NC(N)=O ZINC001436831509 928413812 /nfs/dbraw/zinc/41/38/12/928413812.db2.gz IVTSXJMDEJZALP-KOLCDFICSA-N 2 2 322.369 -1.049 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN(C)S(C)(=O)=O ZINC001437272845 928440350 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-1.122 20 0 DAADLP C[N@@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)CC(N)=O ZINC001437486384 928454854 /nfs/dbraw/zinc/45/48/54/928454854.db2.gz RMEHCWLHBABIFF-UHFFFAOYSA-N 2 2 300.403 -1.122 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001437844247 928481760 /nfs/dbraw/zinc/48/17/60/928481760.db2.gz SKCQEBWNCIEHKX-JTQLQIEISA-N 2 2 324.385 -1.145 20 0 DAADLP CN(CC[N@H+](C)CC(N)=O)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001438874961 928536865 /nfs/dbraw/zinc/53/68/65/928536865.db2.gz SRILWWIRLYOVBG-UHFFFAOYSA-N 2 2 310.402 -1.066 20 0 DAADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001438874961 928536872 /nfs/dbraw/zinc/53/68/72/928536872.db2.gz SRILWWIRLYOVBG-UHFFFAOYSA-N 2 2 310.402 -1.066 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001438974668 928549566 /nfs/dbraw/zinc/54/95/66/928549566.db2.gz YARHOMFGOYCILD-NEPJUHHUSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001438974668 928549577 /nfs/dbraw/zinc/54/95/77/928549577.db2.gz YARHOMFGOYCILD-NEPJUHHUSA-N 2 2 311.386 -1.683 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439006936 928571353 /nfs/dbraw/zinc/57/13/53/928571353.db2.gz IBFSFORZGKGEER-WCQYABFASA-N 2 2 323.397 -1.400 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001439009030 928571506 /nfs/dbraw/zinc/57/15/06/928571506.db2.gz NBWJUFWJQWUYFH-QWRGUYRKSA-N 2 2 309.370 -1.742 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439006933 928571824 /nfs/dbraw/zinc/57/18/24/928571824.db2.gz IBFSFORZGKGEER-DGCLKSJQSA-N 2 2 323.397 -1.400 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001439016730 928578215 /nfs/dbraw/zinc/57/82/15/928578215.db2.gz LEEMQHZFFMIQEV-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001439020184 928581230 /nfs/dbraw/zinc/58/12/30/928581230.db2.gz PZJOHNDGSNPALU-NWDGAFQWSA-N 2 2 309.370 -1.382 20 0 DAADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439383405 928619309 /nfs/dbraw/zinc/61/93/09/928619309.db2.gz FZVVZYGIELGJPQ-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439383405 928619318 /nfs/dbraw/zinc/61/93/18/928619318.db2.gz FZVVZYGIELGJPQ-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001439682274 928639520 /nfs/dbraw/zinc/63/95/20/928639520.db2.gz AOJSLBWRUCFNGV-UHFFFAOYSA-N 2 2 308.342 -1.423 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001439763926 928643180 /nfs/dbraw/zinc/64/31/80/928643180.db2.gz CRZHQSLYTVHWHM-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001439763926 928643182 /nfs/dbraw/zinc/64/31/82/928643182.db2.gz CRZHQSLYTVHWHM-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001439763920 928643415 /nfs/dbraw/zinc/64/34/15/928643415.db2.gz CRZHQSLYTVHWHM-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001439763920 928643420 /nfs/dbraw/zinc/64/34/20/928643420.db2.gz CRZHQSLYTVHWHM-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837460 928645864 /nfs/dbraw/zinc/64/58/64/928645864.db2.gz YJYUCEFEKZBMGG-QMTHXVAHSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837460 928645873 /nfs/dbraw/zinc/64/58/73/928645873.db2.gz YJYUCEFEKZBMGG-QMTHXVAHSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439837460 928645881 /nfs/dbraw/zinc/64/58/81/928645881.db2.gz YJYUCEFEKZBMGG-QMTHXVAHSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439837460 928645889 /nfs/dbraw/zinc/64/58/89/928645889.db2.gz YJYUCEFEKZBMGG-QMTHXVAHSA-N 2 2 311.386 -1.144 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440027916 928672922 /nfs/dbraw/zinc/67/29/22/928672922.db2.gz AHTQAPGFUWRUCA-IUODEOHRSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440027916 928672932 /nfs/dbraw/zinc/67/29/32/928672932.db2.gz AHTQAPGFUWRUCA-IUODEOHRSA-N 2 2 323.397 -1.087 20 0 DAADLP NC(=O)C[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001440159040 928698303 /nfs/dbraw/zinc/69/83/03/928698303.db2.gz QAUXQBHBWLYVIO-UHFFFAOYSA-N 2 2 308.386 -1.461 20 0 DAADLP C[C@H]([NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001440157104 928699471 /nfs/dbraw/zinc/69/94/71/928699471.db2.gz JUMAOYBGFSCCOQ-LBPRGKRZSA-N 2 2 322.413 -1.073 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001440203614 928703877 /nfs/dbraw/zinc/70/38/77/928703877.db2.gz HGRJOTRROZAVPE-LLVKDONJSA-N 2 2 309.370 -1.440 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001440391629 928721107 /nfs/dbraw/zinc/72/11/07/928721107.db2.gz DMYRFJNAXZBTCH-JTQLQIEISA-N 2 2 324.341 -2.105 20 0 DAADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001440565593 928732119 /nfs/dbraw/zinc/73/21/19/928732119.db2.gz MFLIELZHLMHQIJ-CHWSQXEVSA-N 2 2 315.414 -1.047 20 0 DAADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001440565593 928732126 /nfs/dbraw/zinc/73/21/26/928732126.db2.gz MFLIELZHLMHQIJ-CHWSQXEVSA-N 2 2 315.414 -1.047 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001441044823 928758968 /nfs/dbraw/zinc/75/89/68/928758968.db2.gz KNMHQBXNEYPCGR-CYBMUJFWSA-N 2 2 300.403 -1.957 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001441044823 928758973 /nfs/dbraw/zinc/75/89/73/928758973.db2.gz KNMHQBXNEYPCGR-CYBMUJFWSA-N 2 2 300.403 -1.957 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001441044825 928759051 /nfs/dbraw/zinc/75/90/51/928759051.db2.gz KNMHQBXNEYPCGR-ZDUSSCGKSA-N 2 2 300.403 -1.957 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001441044825 928759055 /nfs/dbraw/zinc/75/90/55/928759055.db2.gz KNMHQBXNEYPCGR-ZDUSSCGKSA-N 2 2 300.403 -1.957 20 0 DAADLP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001441698269 928819976 /nfs/dbraw/zinc/81/99/76/928819976.db2.gz NNRRYJYPXURFOV-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001441698269 928819984 /nfs/dbraw/zinc/81/99/84/928819984.db2.gz NNRRYJYPXURFOV-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CCO)[nH]n1 ZINC001441697474 928821675 /nfs/dbraw/zinc/82/16/75/928821675.db2.gz PLDBYANGVGEJLL-GXFFZTMASA-N 2 2 311.386 -1.151 20 0 DAADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CCO)[nH]n1 ZINC001441697474 928821687 /nfs/dbraw/zinc/82/16/87/928821687.db2.gz PLDBYANGVGEJLL-GXFFZTMASA-N 2 2 311.386 -1.151 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001441704343 928826305 /nfs/dbraw/zinc/82/63/05/928826305.db2.gz HZNFVRFDKHEWER-MNOVXSKESA-N 2 2 311.386 -1.133 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC001441713334 928831247 /nfs/dbraw/zinc/83/12/47/928831247.db2.gz LFKRDHMPNQVPKS-QWHCGFSZSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001441713334 928831253 /nfs/dbraw/zinc/83/12/53/928831253.db2.gz LFKRDHMPNQVPKS-QWHCGFSZSA-N 2 2 310.402 -1.134 20 0 DAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001441740148 928848951 /nfs/dbraw/zinc/84/89/51/928848951.db2.gz PBKHHKNXDULYTH-GXTWGEPZSA-N 2 2 315.414 -1.311 20 0 DAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001441740148 928848957 /nfs/dbraw/zinc/84/89/57/928848957.db2.gz PBKHHKNXDULYTH-GXTWGEPZSA-N 2 2 315.414 -1.311 20 0 DAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001441794423 928865581 /nfs/dbraw/zinc/86/55/81/928865581.db2.gz SZWWTNBIVDTXBE-MNOVXSKESA-N 2 2 311.386 -1.494 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)nc1=O ZINC001441791008 928865621 /nfs/dbraw/zinc/86/56/21/928865621.db2.gz JONBVMIVVHCCTL-SNVBAGLBSA-N 2 2 312.374 -2.229 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001441787439 928867815 /nfs/dbraw/zinc/86/78/15/928867815.db2.gz FNTARTXTFYLVHY-LBPRGKRZSA-N 2 2 307.358 -1.413 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001441983256 928896922 /nfs/dbraw/zinc/89/69/22/928896922.db2.gz JWEYJOFZPQTUIV-NWDGAFQWSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001441983256 928896937 /nfs/dbraw/zinc/89/69/37/928896937.db2.gz JWEYJOFZPQTUIV-NWDGAFQWSA-N 2 2 309.370 -1.360 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001442142267 928932842 /nfs/dbraw/zinc/93/28/42/928932842.db2.gz DTIFTBIXIRYITF-SNVBAGLBSA-N 2 2 322.369 -1.154 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442371387 928942129 /nfs/dbraw/zinc/94/21/29/928942129.db2.gz GBTKKKFHSIWNKU-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442371387 928942140 /nfs/dbraw/zinc/94/21/40/928942140.db2.gz GBTKKKFHSIWNKU-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442371387 928942151 /nfs/dbraw/zinc/94/21/51/928942151.db2.gz GBTKKKFHSIWNKU-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442371387 928942157 /nfs/dbraw/zinc/94/21/57/928942157.db2.gz GBTKKKFHSIWNKU-NXEZZACHSA-N 2 2 315.374 -2.052 20 0 DAADLP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NC(N)=O ZINC001442468494 928949220 /nfs/dbraw/zinc/94/92/20/928949220.db2.gz ZAXOAGHBFXVDDC-UHFFFAOYSA-N 2 2 311.386 -1.142 20 0 DAADLP C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NC(N)=O ZINC001442468494 928949230 /nfs/dbraw/zinc/94/92/30/928949230.db2.gz ZAXOAGHBFXVDDC-UHFFFAOYSA-N 2 2 311.386 -1.142 20 0 DAADLP CCNC(=O)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001442553559 928952909 /nfs/dbraw/zinc/95/29/09/928952909.db2.gz JRNIMCRAJDTXGY-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP CCNC(=O)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001442553559 928952923 /nfs/dbraw/zinc/95/29/23/928952923.db2.gz JRNIMCRAJDTXGY-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N1CCOCC1 ZINC001442579536 928953021 /nfs/dbraw/zinc/95/30/21/928953021.db2.gz VZUZTOVOZFRWAS-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N1CCOCC1 ZINC001442579536 928953027 /nfs/dbraw/zinc/95/30/27/928953027.db2.gz VZUZTOVOZFRWAS-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001443026159 928987117 /nfs/dbraw/zinc/98/71/17/928987117.db2.gz CHDXTYUXMRBDAR-UHFFFAOYSA-N 2 2 322.369 -1.033 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001443026159 928987126 /nfs/dbraw/zinc/98/71/26/928987126.db2.gz CHDXTYUXMRBDAR-UHFFFAOYSA-N 2 2 322.369 -1.033 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744840 929025731 /nfs/dbraw/zinc/02/57/31/929025731.db2.gz VEAWNRRJMCXBRL-ZYHUDNBSSA-N 2 2 313.402 -1.700 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744840 929025742 /nfs/dbraw/zinc/02/57/42/929025742.db2.gz VEAWNRRJMCXBRL-ZYHUDNBSSA-N 2 2 313.402 -1.700 20 0 DAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443795279 929027965 /nfs/dbraw/zinc/02/79/65/929027965.db2.gz MAZJFEXTHXVKLJ-MNOVXSKESA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443795279 929027980 /nfs/dbraw/zinc/02/79/80/929027980.db2.gz MAZJFEXTHXVKLJ-MNOVXSKESA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001443795279 929027984 /nfs/dbraw/zinc/02/79/84/929027984.db2.gz MAZJFEXTHXVKLJ-MNOVXSKESA-N 2 2 311.386 -1.192 20 0 DAADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001443795279 929027997 /nfs/dbraw/zinc/02/79/97/929027997.db2.gz MAZJFEXTHXVKLJ-MNOVXSKESA-N 2 2 311.386 -1.192 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C ZINC001444250705 929094563 /nfs/dbraw/zinc/09/45/63/929094563.db2.gz UTNNZDPHRFSIEB-NSHDSACASA-N 2 2 311.386 -1.492 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444382795 929120263 /nfs/dbraw/zinc/12/02/63/929120263.db2.gz DGDHDGFEUATELS-SNVBAGLBSA-N 2 2 324.385 -1.240 20 0 DAADLP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444675071 929144746 /nfs/dbraw/zinc/14/47/46/929144746.db2.gz BUHBOZQLNOIVGP-RKDXNWHRSA-N 2 2 310.358 -1.028 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445181614 929178673 /nfs/dbraw/zinc/17/86/73/929178673.db2.gz KSSJRVCNHXGTLU-GFCCVEGCSA-N 2 2 323.397 -1.425 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001445202286 929184415 /nfs/dbraw/zinc/18/44/15/929184415.db2.gz KHBFNDUSMFFHSQ-NWDGAFQWSA-N 2 2 323.397 -1.350 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001445277224 929211233 /nfs/dbraw/zinc/21/12/33/929211233.db2.gz HTYSMSIALVAXHD-RYUDHWBXSA-N 2 2 319.369 -1.271 20 0 DAADLP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001445282804 929211953 /nfs/dbraw/zinc/21/19/53/929211953.db2.gz YFYCBOMMJIKUFK-CYBMUJFWSA-N 2 2 321.385 -1.159 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)nc1=O ZINC001445276951 929212387 /nfs/dbraw/zinc/21/23/87/929212387.db2.gz VTRARUZRWUNZQO-SNVBAGLBSA-N 2 2 312.374 -2.229 20 0 DAADLP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001445502877 929228947 /nfs/dbraw/zinc/22/89/47/929228947.db2.gz UVFCSIXRIXJZPK-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001445502877 929228959 /nfs/dbraw/zinc/22/89/59/929228959.db2.gz UVFCSIXRIXJZPK-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001445662057 929249769 /nfs/dbraw/zinc/24/97/69/929249769.db2.gz AORLGEHWWPLLSF-VHSXEESVSA-N 2 2 310.358 -1.179 20 0 DAADLP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001446152865 929276927 /nfs/dbraw/zinc/27/69/27/929276927.db2.gz DIRBAVQNJJRRHI-JTQLQIEISA-N 2 2 308.386 -1.059 20 0 DAADLP Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1=O ZINC001446152865 929276940 /nfs/dbraw/zinc/27/69/40/929276940.db2.gz DIRBAVQNJJRRHI-JTQLQIEISA-N 2 2 308.386 -1.059 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446781772 929320311 /nfs/dbraw/zinc/32/03/11/929320311.db2.gz YUXHBCKNHZHYTP-DOMZBBRYSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446781772 929320318 /nfs/dbraw/zinc/32/03/18/929320318.db2.gz YUXHBCKNHZHYTP-DOMZBBRYSA-N 2 2 321.381 -1.285 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001446812814 929326382 /nfs/dbraw/zinc/32/63/82/929326382.db2.gz HSZAHGZWOPETKI-OCCSQVGLSA-N 2 2 312.370 -1.557 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001446812814 929326389 /nfs/dbraw/zinc/32/63/89/929326389.db2.gz HSZAHGZWOPETKI-OCCSQVGLSA-N 2 2 312.370 -1.557 20 0 DAADLP CC[C@H](C(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001447005183 929359931 /nfs/dbraw/zinc/35/99/31/929359931.db2.gz FWMLYIUDUFTSPH-RISCZKNCSA-N 2 2 300.403 -1.245 20 0 DAADLP CC[C@H](C(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001447005183 929359944 /nfs/dbraw/zinc/35/99/44/929359944.db2.gz FWMLYIUDUFTSPH-RISCZKNCSA-N 2 2 300.403 -1.245 20 0 DAADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001447063120 929366851 /nfs/dbraw/zinc/36/68/51/929366851.db2.gz XYXKIHBOPFNMNL-IJLUTSLNSA-N 2 2 321.381 -1.188 20 0 DAADLP O=C(CCn1cc[nH+]c1)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001447060840 929368167 /nfs/dbraw/zinc/36/81/67/929368167.db2.gz IODKMEIFMHPGJA-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001447062855 929368401 /nfs/dbraw/zinc/36/84/01/929368401.db2.gz WVZIASUKTSOIDR-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001447062855 929368406 /nfs/dbraw/zinc/36/84/06/929368406.db2.gz WVZIASUKTSOIDR-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)CC[N@@H+]1C ZINC001448820203 929480035 /nfs/dbraw/zinc/48/00/35/929480035.db2.gz HHUANLPAZPODLB-RAIGVLPGSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nn2)CC[N@H+]1C ZINC001448820203 929480040 /nfs/dbraw/zinc/48/00/40/929480040.db2.gz HHUANLPAZPODLB-RAIGVLPGSA-N 2 2 310.402 -1.278 20 0 DAADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)ncn1 ZINC001448822006 929480866 /nfs/dbraw/zinc/48/08/66/929480866.db2.gz ALRCQKMROSRSEL-UONOGXRCSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC001448822006 929480876 /nfs/dbraw/zinc/48/08/76/929480876.db2.gz ALRCQKMROSRSEL-UONOGXRCSA-N 2 2 323.397 -1.318 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001448872465 929502239 /nfs/dbraw/zinc/50/22/39/929502239.db2.gz FTJKUEKNBGPIIJ-NEPJUHHUSA-N 2 2 309.370 -1.382 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001448872467 929502694 /nfs/dbraw/zinc/50/26/94/929502694.db2.gz FTJKUEKNBGPIIJ-NWDGAFQWSA-N 2 2 309.370 -1.382 20 0 DAADLP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001448878780 929503786 /nfs/dbraw/zinc/50/37/86/929503786.db2.gz IBEVLBQXHBZDDD-QWRGUYRKSA-N 2 2 311.386 -1.446 20 0 DAADLP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001448878343 929504125 /nfs/dbraw/zinc/50/41/25/929504125.db2.gz SWKRBWCALYUNPM-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001448878338 929505281 /nfs/dbraw/zinc/50/52/81/929505281.db2.gz SWKRBWCALYUNPM-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001448921818 929516314 /nfs/dbraw/zinc/51/63/14/929516314.db2.gz NGRYCLGVTRQGCZ-JTQLQIEISA-N 2 2 310.358 -1.956 20 0 DAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001448940770 929519773 /nfs/dbraw/zinc/51/97/73/929519773.db2.gz DTWFTUDINDKAFV-LLVKDONJSA-N 2 2 308.386 -1.224 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001448939725 929520165 /nfs/dbraw/zinc/52/01/65/929520165.db2.gz LXRJPDWCGGLSNK-LBPRGKRZSA-N 2 2 323.397 -1.050 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001448939697 929521337 /nfs/dbraw/zinc/52/13/37/929521337.db2.gz LXRJPDWCGGLSNK-GFCCVEGCSA-N 2 2 323.397 -1.050 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950569 929525975 /nfs/dbraw/zinc/52/59/75/929525975.db2.gz IAFKEVBIYVFSQT-WDEREUQCSA-N 2 2 323.401 -1.474 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950569 929525987 /nfs/dbraw/zinc/52/59/87/929525987.db2.gz IAFKEVBIYVFSQT-WDEREUQCSA-N 2 2 323.401 -1.474 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001448957413 929528272 /nfs/dbraw/zinc/52/82/72/929528272.db2.gz RVVNOGZMRZQFGJ-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001448957806 929528400 /nfs/dbraw/zinc/52/84/00/929528400.db2.gz SHDYRRAMGHRKMG-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001449132556 929548492 /nfs/dbraw/zinc/54/84/92/929548492.db2.gz MOQSOHBICMXJPK-NWDGAFQWSA-N 2 2 323.397 -1.400 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001449150240 929553110 /nfs/dbraw/zinc/55/31/10/929553110.db2.gz QLJFHAURNQXMJA-ZYHUDNBSSA-N 2 2 311.386 -1.257 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001449150240 929553114 /nfs/dbraw/zinc/55/31/14/929553114.db2.gz QLJFHAURNQXMJA-ZYHUDNBSSA-N 2 2 311.386 -1.257 20 0 DAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CNCC[NH3+])CC1 ZINC001521433779 929660353 /nfs/dbraw/zinc/66/03/53/929660353.db2.gz OARYLRWTLIHOBU-UHFFFAOYSA-N 2 2 313.446 -1.063 20 0 DAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CNCC[NH3+])CC1 ZINC001521433779 929660360 /nfs/dbraw/zinc/66/03/60/929660360.db2.gz OARYLRWTLIHOBU-UHFFFAOYSA-N 2 2 313.446 -1.063 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001522674559 929691388 /nfs/dbraw/zinc/69/13/88/929691388.db2.gz FVZDJQJFUBDZCU-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001522674559 929691395 /nfs/dbraw/zinc/69/13/95/929691395.db2.gz FVZDJQJFUBDZCU-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001530389347 929842014 /nfs/dbraw/zinc/84/20/14/929842014.db2.gz MKIMXIAIDCFBLJ-ZDUSSCGKSA-N 2 2 312.414 -1.016 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001530389347 929842022 /nfs/dbraw/zinc/84/20/22/929842022.db2.gz MKIMXIAIDCFBLJ-ZDUSSCGKSA-N 2 2 312.414 -1.016 20 0 DAADLP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001530389347 929842027 /nfs/dbraw/zinc/84/20/27/929842027.db2.gz MKIMXIAIDCFBLJ-ZDUSSCGKSA-N 2 2 312.414 -1.016 20 0 DAADLP CC(C)[NH+](C)CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001530389347 929842038 /nfs/dbraw/zinc/84/20/38/929842038.db2.gz MKIMXIAIDCFBLJ-ZDUSSCGKSA-N 2 2 312.414 -1.016 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001530553661 929855033 /nfs/dbraw/zinc/85/50/33/929855033.db2.gz XSEXPKOOAWQZRO-UHFFFAOYSA-N 2 2 323.397 -1.132 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265349 929936967 /nfs/dbraw/zinc/93/69/67/929936967.db2.gz BWHBZCKXKVEBHX-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001533265349 929936979 /nfs/dbraw/zinc/93/69/79/929936979.db2.gz BWHBZCKXKVEBHX-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731093 930041150 /nfs/dbraw/zinc/04/11/50/930041150.db2.gz DQDGOVAXDHDUOL-ZIAGYGMSSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731093 930041162 /nfs/dbraw/zinc/04/11/62/930041162.db2.gz DQDGOVAXDHDUOL-ZIAGYGMSSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001548731093 930041172 /nfs/dbraw/zinc/04/11/72/930041172.db2.gz DQDGOVAXDHDUOL-ZIAGYGMSSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001548731093 930041182 /nfs/dbraw/zinc/04/11/82/930041182.db2.gz DQDGOVAXDHDUOL-ZIAGYGMSSA-N 2 2 324.425 -1.060 20 0 DAADLP Cn1cc([C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]2[NH3+])cn1 ZINC001549049277 930049895 /nfs/dbraw/zinc/04/98/95/930049895.db2.gz DUVCMWMWMWWVLF-VXGBXAGGSA-N 2 2 306.370 -1.895 20 0 DAADLP Cn1cc([C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]2[NH3+])cn1 ZINC001549049269 930050953 /nfs/dbraw/zinc/05/09/53/930050953.db2.gz DUVCMWMWMWWVLF-NWDGAFQWSA-N 2 2 306.370 -1.895 20 0 DAADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549301148 930052727 /nfs/dbraw/zinc/05/27/27/930052727.db2.gz PPAQIBVXDPDBCC-SDDRHHMPSA-N 2 2 310.398 -1.051 20 0 DAADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001549672680 930058414 /nfs/dbraw/zinc/05/84/14/930058414.db2.gz MJORKUNERLZVJM-AVGNSLFASA-N 2 2 308.386 -1.078 20 0 DAADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001549672680 930058424 /nfs/dbraw/zinc/05/84/24/930058424.db2.gz MJORKUNERLZVJM-AVGNSLFASA-N 2 2 308.386 -1.078 20 0 DAADLP C[C@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1)N1CC[NH2+]CC1=O ZINC001550067755 930060818 /nfs/dbraw/zinc/06/08/18/930060818.db2.gz UPHRHAKRNYJNMQ-WXHSDQCUSA-N 2 2 320.397 -1.507 20 0 DAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203227 930070839 /nfs/dbraw/zinc/07/08/39/930070839.db2.gz FEOHGFHWRSOFBP-CZUORRHYSA-N 2 2 324.425 -1.107 20 0 DAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203227 930070848 /nfs/dbraw/zinc/07/08/48/930070848.db2.gz FEOHGFHWRSOFBP-CZUORRHYSA-N 2 2 324.425 -1.107 20 0 DAADLP C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000078745371 545649474 /nfs/dbraw/zinc/64/94/74/545649474.db2.gz YQBLACOJQZLFAB-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784972 781924373 /nfs/dbraw/zinc/92/43/73/781924373.db2.gz MOEHVVNKBKQUAT-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784972 781924381 /nfs/dbraw/zinc/92/43/81/781924381.db2.gz MOEHVVNKBKQUAT-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784972 781924391 /nfs/dbraw/zinc/92/43/91/781924391.db2.gz MOEHVVNKBKQUAT-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191784972 781924398 /nfs/dbraw/zinc/92/43/98/781924398.db2.gz MOEHVVNKBKQUAT-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191785971 781924857 /nfs/dbraw/zinc/92/48/57/781924857.db2.gz WZYWFRJOYOSOAS-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191785971 781924865 /nfs/dbraw/zinc/92/48/65/781924865.db2.gz WZYWFRJOYOSOAS-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191785971 781924873 /nfs/dbraw/zinc/92/48/73/781924873.db2.gz WZYWFRJOYOSOAS-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191785971 781924881 /nfs/dbraw/zinc/92/48/81/781924881.db2.gz WZYWFRJOYOSOAS-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000408019507 545667363 /nfs/dbraw/zinc/66/73/63/545667363.db2.gz AWPKIKXPFRSNAB-UHFFFAOYSA-N 2 2 320.459 -1.133 20 0 DAADLP CNS(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000644628869 545676626 /nfs/dbraw/zinc/67/66/26/545676626.db2.gz WQOMTJFVXGCNKM-UTUOFQBUSA-N 2 2 309.432 -1.405 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302661 545704764 /nfs/dbraw/zinc/70/47/64/545704764.db2.gz SHSQCMGVBXCJBX-MELADBBJSA-N 2 2 315.414 -1.503 20 0 DAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302661 545704769 /nfs/dbraw/zinc/70/47/69/545704769.db2.gz SHSQCMGVBXCJBX-MELADBBJSA-N 2 2 315.414 -1.503 20 0 DAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302661 545704774 /nfs/dbraw/zinc/70/47/74/545704774.db2.gz SHSQCMGVBXCJBX-MELADBBJSA-N 2 2 315.414 -1.503 20 0 DAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302661 545704779 /nfs/dbraw/zinc/70/47/79/545704779.db2.gz SHSQCMGVBXCJBX-MELADBBJSA-N 2 2 315.414 -1.503 20 0 DAADLP CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000236940662 202082880 /nfs/dbraw/zinc/08/28/80/202082880.db2.gz ZDUHXNYNILXHSR-ZDUSSCGKSA-N 2 2 312.414 -1.107 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000339806803 545742496 /nfs/dbraw/zinc/74/24/96/545742496.db2.gz CETKSCFFQNUCHS-ZDUSSCGKSA-N 2 2 301.387 -1.530 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000339806803 545742500 /nfs/dbraw/zinc/74/25/00/545742500.db2.gz CETKSCFFQNUCHS-ZDUSSCGKSA-N 2 2 301.387 -1.530 20 0 DAADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014736 781938423 /nfs/dbraw/zinc/93/84/23/781938423.db2.gz SYOBMTSPDIVTRH-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014736 781938431 /nfs/dbraw/zinc/93/84/31/781938431.db2.gz SYOBMTSPDIVTRH-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192014736 781938439 /nfs/dbraw/zinc/93/84/39/781938439.db2.gz SYOBMTSPDIVTRH-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192014736 781938450 /nfs/dbraw/zinc/93/84/50/781938450.db2.gz SYOBMTSPDIVTRH-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP Cn1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000532931543 545759917 /nfs/dbraw/zinc/75/99/17/545759917.db2.gz UKVMWBZGMGMCSX-GFCCVEGCSA-N 2 2 308.386 -1.162 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419878815 545770436 /nfs/dbraw/zinc/77/04/36/545770436.db2.gz YOXONZUUYRKEHA-UHFFFAOYSA-N 2 2 311.430 -1.438 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423681648 545771890 /nfs/dbraw/zinc/77/18/90/545771890.db2.gz OGSVCRSJCMNQMF-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH2+]1 ZINC000643592334 372771371 /nfs/dbraw/zinc/77/13/71/372771371.db2.gz ZKUHMLYLUDUNEB-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH2+]1 ZINC000643592334 372771374 /nfs/dbraw/zinc/77/13/74/372771374.db2.gz ZKUHMLYLUDUNEB-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000642715379 372787164 /nfs/dbraw/zinc/78/71/64/372787164.db2.gz WMLJWSKECVQHEA-FRRDWIJNSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000642715379 372787168 /nfs/dbraw/zinc/78/71/68/372787168.db2.gz WMLJWSKECVQHEA-FRRDWIJNSA-N 2 2 310.398 -1.214 20 0 DAADLP CCCNC(=O)C[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623853889 372850680 /nfs/dbraw/zinc/85/06/80/372850680.db2.gz KUBLJULCTOZPAA-UHFFFAOYSA-N 2 2 308.390 -1.479 20 0 DAADLP CCCNC(=O)C[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623853889 372850690 /nfs/dbraw/zinc/85/06/90/372850690.db2.gz KUBLJULCTOZPAA-UHFFFAOYSA-N 2 2 308.390 -1.479 20 0 DAADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624509132 372828152 /nfs/dbraw/zinc/82/81/52/372828152.db2.gz SVKULPZNTNTPIF-CYBMUJFWSA-N 2 2 309.374 -1.854 20 0 DAADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624509132 372828157 /nfs/dbraw/zinc/82/81/57/372828157.db2.gz SVKULPZNTNTPIF-CYBMUJFWSA-N 2 2 309.374 -1.854 20 0 DAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000238102632 372869940 /nfs/dbraw/zinc/86/99/40/372869940.db2.gz FKGJJBSQKOSNDD-CYBMUJFWSA-N 2 2 310.398 -1.401 20 0 DAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[NH2+]CC1 ZINC000238102382 372870567 /nfs/dbraw/zinc/87/05/67/372870567.db2.gz NYTHOSJESAOSOA-CQSZACIVSA-N 2 2 324.425 -1.011 20 0 DAADLP C[NH2+]CC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000237191922 372858286 /nfs/dbraw/zinc/85/82/86/372858286.db2.gz HCNVFAIESNESNR-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237355087 372861332 /nfs/dbraw/zinc/86/13/32/372861332.db2.gz DGADJHJXFDRTJG-STQMWFEESA-N 2 2 312.414 -1.122 20 0 DAADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569710502 372904166 /nfs/dbraw/zinc/90/41/66/372904166.db2.gz SSSGBKWCXNZINS-NXEZZACHSA-N 2 2 311.386 -1.146 20 0 DAADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569710502 372904177 /nfs/dbraw/zinc/90/41/77/372904177.db2.gz SSSGBKWCXNZINS-NXEZZACHSA-N 2 2 311.386 -1.146 20 0 DAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000569864605 372905516 /nfs/dbraw/zinc/90/55/16/372905516.db2.gz YWHMVDCDDIPKRW-LBPRGKRZSA-N 2 2 308.448 -1.183 20 0 DAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000569864605 372905525 /nfs/dbraw/zinc/90/55/25/372905525.db2.gz YWHMVDCDDIPKRW-LBPRGKRZSA-N 2 2 308.448 -1.183 20 0 DAADLP CC(=O)NCCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570333078 372911813 /nfs/dbraw/zinc/91/18/13/372911813.db2.gz MJZCICGBNWFVBW-LBPRGKRZSA-N 2 2 313.402 -1.880 20 0 DAADLP CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570333078 372911818 /nfs/dbraw/zinc/91/18/18/372911818.db2.gz MJZCICGBNWFVBW-LBPRGKRZSA-N 2 2 313.402 -1.880 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000636316931 372919146 /nfs/dbraw/zinc/91/91/46/372919146.db2.gz BUUQREKEJCRHJI-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000636316931 372919153 /nfs/dbraw/zinc/91/91/53/372919153.db2.gz BUUQREKEJCRHJI-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCN2C1=O ZINC000570826974 372919387 /nfs/dbraw/zinc/91/93/87/372919387.db2.gz ITOXPRNRNGKQRA-RYUDHWBXSA-N 2 2 311.386 -1.728 20 0 DAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCN2C1=O ZINC000570826970 372919625 /nfs/dbraw/zinc/91/96/25/372919625.db2.gz ITOXPRNRNGKQRA-NWDGAFQWSA-N 2 2 311.386 -1.728 20 0 DAADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000575063175 372921312 /nfs/dbraw/zinc/92/13/12/372921312.db2.gz MFERTFOZWQBEEF-CHWSQXEVSA-N 2 2 322.413 -1.235 20 0 DAADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000575063175 372921321 /nfs/dbraw/zinc/92/13/21/372921321.db2.gz MFERTFOZWQBEEF-CHWSQXEVSA-N 2 2 322.413 -1.235 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000591418921 372953800 /nfs/dbraw/zinc/95/38/00/372953800.db2.gz OISUGQNBEKHNQD-MNOVXSKESA-N 2 2 314.386 -1.454 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000591418921 372953805 /nfs/dbraw/zinc/95/38/05/372953805.db2.gz OISUGQNBEKHNQD-MNOVXSKESA-N 2 2 314.386 -1.454 20 0 DAADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000592553961 372973620 /nfs/dbraw/zinc/97/36/20/372973620.db2.gz LAJHNIKVBSKRHX-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592560436 372974113 /nfs/dbraw/zinc/97/41/13/372974113.db2.gz QRIAOQRYCKOCLU-IMRBUKKESA-N 2 2 311.382 -1.214 20 0 DAADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000592959306 372978770 /nfs/dbraw/zinc/97/87/70/372978770.db2.gz HPIFSHDUXWOPAS-RYUDHWBXSA-N 2 2 317.386 -1.582 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1C[NH2+]CCO1 ZINC000595894268 373003606 /nfs/dbraw/zinc/00/36/06/373003606.db2.gz WLOBYHAXQOUPDW-CYBMUJFWSA-N 2 2 301.387 -1.218 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000596000764 373006207 /nfs/dbraw/zinc/00/62/07/373006207.db2.gz OQPKMXMSNYCPLE-QWRGUYRKSA-N 2 2 309.370 -2.469 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000596000762 373006279 /nfs/dbraw/zinc/00/62/79/373006279.db2.gz OQPKMXMSNYCPLE-MNOVXSKESA-N 2 2 309.370 -2.469 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000596000765 373006772 /nfs/dbraw/zinc/00/67/72/373006772.db2.gz OQPKMXMSNYCPLE-WDEREUQCSA-N 2 2 309.370 -2.469 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016455 372987670 /nfs/dbraw/zinc/98/76/70/372987670.db2.gz XMKYRKYXQPJPAL-AVGNSLFASA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016455 372987680 /nfs/dbraw/zinc/98/76/80/372987680.db2.gz XMKYRKYXQPJPAL-AVGNSLFASA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016455 372987685 /nfs/dbraw/zinc/98/76/85/372987685.db2.gz XMKYRKYXQPJPAL-AVGNSLFASA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016455 372987693 /nfs/dbraw/zinc/98/76/93/372987693.db2.gz XMKYRKYXQPJPAL-AVGNSLFASA-N 2 2 304.387 -1.219 20 0 DAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000599931959 373052419 /nfs/dbraw/zinc/05/24/19/373052419.db2.gz KSQKFDPEWUBTCP-SDDRHHMPSA-N 2 2 311.386 -1.730 20 0 DAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000599931959 373052429 /nfs/dbraw/zinc/05/24/29/373052429.db2.gz KSQKFDPEWUBTCP-SDDRHHMPSA-N 2 2 311.386 -1.730 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000563159553 373084224 /nfs/dbraw/zinc/08/42/24/373084224.db2.gz FKHIRBSLONGEJL-ZDUSSCGKSA-N 2 2 300.403 -1.124 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337476255 373100517 /nfs/dbraw/zinc/10/05/17/373100517.db2.gz YNNWGMVQHDGZCC-AWEZNQCLSA-N 2 2 302.419 -1.128 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337476255 373100522 /nfs/dbraw/zinc/10/05/22/373100522.db2.gz YNNWGMVQHDGZCC-AWEZNQCLSA-N 2 2 302.419 -1.128 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000366208218 373123750 /nfs/dbraw/zinc/12/37/50/373123750.db2.gz HFRUFORJVHTAMI-NSHDSACASA-N 2 2 311.386 -1.190 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000366208218 373123752 /nfs/dbraw/zinc/12/37/52/373123752.db2.gz HFRUFORJVHTAMI-NSHDSACASA-N 2 2 311.386 -1.190 20 0 DAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000339709271 373128748 /nfs/dbraw/zinc/12/87/48/373128748.db2.gz APGUSQXDJRFEGU-UHFFFAOYSA-N 2 2 309.370 -1.162 20 0 DAADLP CCS(=O)(=O)NCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563443386 373136480 /nfs/dbraw/zinc/13/64/80/373136480.db2.gz WPEKRANLROFWHU-MNOVXSKESA-N 2 2 304.416 -1.440 20 0 DAADLP CCS(=O)(=O)NCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563443386 373136489 /nfs/dbraw/zinc/13/64/89/373136489.db2.gz WPEKRANLROFWHU-MNOVXSKESA-N 2 2 304.416 -1.440 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475664 373145311 /nfs/dbraw/zinc/14/53/11/373145311.db2.gz RRDVWTUGGPQBPA-VXGBXAGGSA-N 2 2 314.386 -2.072 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475664 373145312 /nfs/dbraw/zinc/14/53/12/373145312.db2.gz RRDVWTUGGPQBPA-VXGBXAGGSA-N 2 2 314.386 -2.072 20 0 DAADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)N1CC[NH+](C)CC1 ZINC000638142422 373210372 /nfs/dbraw/zinc/21/03/72/373210372.db2.gz ZTYFBBOVFHWCNK-STQMWFEESA-N 2 2 311.430 -1.441 20 0 DAADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)N1CC[NH+](C)CC1 ZINC000638142420 373211741 /nfs/dbraw/zinc/21/17/41/373211741.db2.gz ZTYFBBOVFHWCNK-OLZOCXBDSA-N 2 2 311.430 -1.441 20 0 DAADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH2+]CC1=O ZINC000638423895 373219560 /nfs/dbraw/zinc/21/95/60/373219560.db2.gz CMAUPOGTUCMLIB-STQMWFEESA-N 2 2 309.414 -1.687 20 0 DAADLP C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)N1CC[NH2+]CC1=O ZINC000638423895 373219566 /nfs/dbraw/zinc/21/95/66/373219566.db2.gz CMAUPOGTUCMLIB-STQMWFEESA-N 2 2 309.414 -1.687 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1CC[NH2+]CC1 ZINC000638446315 373220073 /nfs/dbraw/zinc/22/00/73/373220073.db2.gz NTIRYDBXWWXKHB-ZDUSSCGKSA-N 2 2 300.403 -1.957 20 0 DAADLP Cn1cc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)cn1 ZINC000637863390 373187077 /nfs/dbraw/zinc/18/70/77/373187077.db2.gz BACPXLIVUDPULS-NEPJUHHUSA-N 2 2 320.397 -1.126 20 0 DAADLP Cn1cc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)cn1 ZINC000637863390 373187086 /nfs/dbraw/zinc/18/70/86/373187086.db2.gz BACPXLIVUDPULS-NEPJUHHUSA-N 2 2 320.397 -1.126 20 0 DAADLP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353457709 373201813 /nfs/dbraw/zinc/20/18/13/373201813.db2.gz HJJHSXOHYCGDSX-LBPRGKRZSA-N 2 2 308.386 -1.312 20 0 DAADLP C[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)C[NH2+]CCO1 ZINC000638081645 373205562 /nfs/dbraw/zinc/20/55/62/373205562.db2.gz BFZPGJAEAJVLBF-CQSZACIVSA-N 2 2 314.386 -2.071 20 0 DAADLP C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC[NH2+]CC1=O ZINC000638102471 373208102 /nfs/dbraw/zinc/20/81/02/373208102.db2.gz HXXIWHGPNGJRKM-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)N1CC[NH2+]CC1=O ZINC000638108905 373208168 /nfs/dbraw/zinc/20/81/68/373208168.db2.gz BUISDFMDPPWMJT-SNVBAGLBSA-N 2 2 308.386 -1.077 20 0 DAADLP C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)N1CC[NH2+]CC1=O ZINC000638108904 373208990 /nfs/dbraw/zinc/20/89/90/373208990.db2.gz BUISDFMDPPWMJT-JTQLQIEISA-N 2 2 308.386 -1.077 20 0 DAADLP CN(C)S(=O)(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764167 373277071 /nfs/dbraw/zinc/27/70/71/373277071.db2.gz LMNJSONQTYPPPI-UHFFFAOYSA-N 2 2 323.463 -1.618 20 0 DAADLP CN(C)S(=O)(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764167 373277082 /nfs/dbraw/zinc/27/70/82/373277082.db2.gz LMNJSONQTYPPPI-UHFFFAOYSA-N 2 2 323.463 -1.618 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000617763475 373277341 /nfs/dbraw/zinc/27/73/41/373277341.db2.gz SFDAKWMVVLDXFS-LLVKDONJSA-N 2 2 306.432 -1.322 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000617763475 373277348 /nfs/dbraw/zinc/27/73/48/373277348.db2.gz SFDAKWMVVLDXFS-LLVKDONJSA-N 2 2 306.432 -1.322 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000617763230 373278194 /nfs/dbraw/zinc/27/81/94/373278194.db2.gz KDGUNOUJDVZPPM-UHFFFAOYSA-N 2 2 306.432 -1.193 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000617763230 373278201 /nfs/dbraw/zinc/27/82/01/373278201.db2.gz KDGUNOUJDVZPPM-UHFFFAOYSA-N 2 2 306.432 -1.193 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178734087 373300240 /nfs/dbraw/zinc/30/02/40/373300240.db2.gz RTAHNBXRSWMUNA-LBPRGKRZSA-N 2 2 318.443 -1.097 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178734087 373300251 /nfs/dbraw/zinc/30/02/51/373300251.db2.gz RTAHNBXRSWMUNA-LBPRGKRZSA-N 2 2 318.443 -1.097 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178734076 373301248 /nfs/dbraw/zinc/30/12/48/373301248.db2.gz RTAHNBXRSWMUNA-GFCCVEGCSA-N 2 2 318.443 -1.097 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178734076 373301251 /nfs/dbraw/zinc/30/12/51/373301251.db2.gz RTAHNBXRSWMUNA-GFCCVEGCSA-N 2 2 318.443 -1.097 20 0 DAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000178804281 373301518 /nfs/dbraw/zinc/30/15/18/373301518.db2.gz ZBFYBNDMLNHHHV-OLZOCXBDSA-N 2 2 310.398 -1.355 20 0 DAADLP COCC[NH2+]CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000178876146 373302590 /nfs/dbraw/zinc/30/25/90/373302590.db2.gz IQJOIZBZVUBKNE-UHFFFAOYSA-N 2 2 322.413 -1.049 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572060159 373329479 /nfs/dbraw/zinc/32/94/79/373329479.db2.gz STEANVRRPKANHP-FVCCEPFGSA-N 2 2 310.398 -1.086 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572060159 373329484 /nfs/dbraw/zinc/32/94/84/373329484.db2.gz STEANVRRPKANHP-FVCCEPFGSA-N 2 2 310.398 -1.086 20 0 DAADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000571821306 373329591 /nfs/dbraw/zinc/32/95/91/373329591.db2.gz MHEKFXYQCJLYPF-YVECIDJPSA-N 2 2 310.398 -1.134 20 0 DAADLP C[C@@H]1CN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000571821306 373329596 /nfs/dbraw/zinc/32/95/96/373329596.db2.gz MHEKFXYQCJLYPF-YVECIDJPSA-N 2 2 310.398 -1.134 20 0 DAADLP Cn1c(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc(=O)n(C)c1=O ZINC000640048950 373309100 /nfs/dbraw/zinc/30/91/00/373309100.db2.gz GPXBVLCRAHYAAX-UHFFFAOYSA-N 2 2 323.397 -1.710 20 0 DAADLP Cn1c(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc(=O)n(C)c1=O ZINC000640048950 373309112 /nfs/dbraw/zinc/30/91/12/373309112.db2.gz GPXBVLCRAHYAAX-UHFFFAOYSA-N 2 2 323.397 -1.710 20 0 DAADLP C[N@H+](CCC(=O)N1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059584 373309642 /nfs/dbraw/zinc/30/96/42/373309642.db2.gz QYQMKXDTNJMRQJ-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP C[N@@H+](CCC(=O)N1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059584 373309655 /nfs/dbraw/zinc/30/96/55/373309655.db2.gz QYQMKXDTNJMRQJ-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC000643476710 373316300 /nfs/dbraw/zinc/31/63/00/373316300.db2.gz LRJVBCBHWBOCRL-CYBMUJFWSA-N 2 2 310.398 -1.259 20 0 DAADLP [NH3+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000238065508 373321467 /nfs/dbraw/zinc/32/14/67/373321467.db2.gz PVUHIYAEMSPWBZ-STQMWFEESA-N 2 2 310.398 -1.273 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[NH3+])[C@H](C)C1 ZINC000419815395 373324511 /nfs/dbraw/zinc/32/45/11/373324511.db2.gz JEWIVLWSCWGRTH-SNVBAGLBSA-N 2 2 300.359 -1.843 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[NH3+])[C@H](C)C1 ZINC000419815395 373324515 /nfs/dbraw/zinc/32/45/15/373324515.db2.gz JEWIVLWSCWGRTH-SNVBAGLBSA-N 2 2 300.359 -1.843 20 0 DAADLP O=C(CC[C@@H]1CC[NH2+]C1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000261664782 373330680 /nfs/dbraw/zinc/33/06/80/373330680.db2.gz AFOUUXXDFPJIOB-CYBMUJFWSA-N 2 2 312.414 -1.059 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC000617767806 373280246 /nfs/dbraw/zinc/28/02/46/373280246.db2.gz DEUGFXNJPDGXCG-UHFFFAOYSA-N 2 2 308.448 -1.075 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC000617767806 373280252 /nfs/dbraw/zinc/28/02/52/373280252.db2.gz DEUGFXNJPDGXCG-UHFFFAOYSA-N 2 2 308.448 -1.075 20 0 DAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)CN2CC[NH2+]CC2=O)C[C@H](C)O1 ZINC000571998696 373328464 /nfs/dbraw/zinc/32/84/64/373328464.db2.gz UYETVOZCDJCMKB-BETUJISGSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CN2CC[NH2+]CC2=O)C[C@H](C)O1 ZINC000571998696 373328469 /nfs/dbraw/zinc/32/84/69/373328469.db2.gz UYETVOZCDJCMKB-BETUJISGSA-N 2 2 312.414 -1.014 20 0 DAADLP CCS(=O)(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262019559 373334033 /nfs/dbraw/zinc/33/40/33/373334033.db2.gz GBWVHKBRZRKFGN-UHFFFAOYSA-N 2 2 318.443 -1.224 20 0 DAADLP O=C(C(=O)N1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000423320570 373343833 /nfs/dbraw/zinc/34/38/33/373343833.db2.gz FQCRQIOPUSLHKY-ZDUSSCGKSA-N 2 2 310.398 -1.259 20 0 DAADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000423354609 373345811 /nfs/dbraw/zinc/34/58/11/373345811.db2.gz DBAZHAAXFZTJMI-QWHCGFSZSA-N 2 2 312.414 -1.061 20 0 DAADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000643512320 373372768 /nfs/dbraw/zinc/37/27/68/373372768.db2.gz GVYQKJZKHWTKNC-MCIONIFRSA-N 2 2 324.425 -1.157 20 0 DAADLP COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000643512320 373372773 /nfs/dbraw/zinc/37/27/73/373372773.db2.gz GVYQKJZKHWTKNC-MCIONIFRSA-N 2 2 324.425 -1.157 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000629788153 373402555 /nfs/dbraw/zinc/40/25/55/373402555.db2.gz LXOMACDGKMREDN-UHFFFAOYSA-N 2 2 300.403 -1.026 20 0 DAADLP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000629794831 373405138 /nfs/dbraw/zinc/40/51/38/373405138.db2.gz DXABUYLFWDXGBK-UHFFFAOYSA-N 2 2 316.402 -1.789 20 0 DAADLP C[NH+]1CCN(C(=O)Cn2cc(CC[NH+]3CCOCC3)nn2)CC1 ZINC000640837277 373418159 /nfs/dbraw/zinc/41/81/59/373418159.db2.gz NLEVSGYWVURVMP-UHFFFAOYSA-N 2 2 322.413 -1.073 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000629607130 373399323 /nfs/dbraw/zinc/39/93/23/373399323.db2.gz PRZOVZXXHDDXJV-LBPRGKRZSA-N 2 2 314.386 -2.430 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000629606341 373400772 /nfs/dbraw/zinc/40/07/72/373400772.db2.gz FZYYWTLGANLZJN-GUTXKFCHSA-N 2 2 313.398 -1.626 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000629607419 373400876 /nfs/dbraw/zinc/40/08/76/373400876.db2.gz SZQCAPZKUQGNAN-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000629606342 373401362 /nfs/dbraw/zinc/40/13/62/373401362.db2.gz FZYYWTLGANLZJN-YDHLFZDLSA-N 2 2 313.398 -1.626 20 0 DAADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000629610001 373401368 /nfs/dbraw/zinc/40/13/68/373401368.db2.gz ZANOQYZDJXKEKZ-KBPBESRZSA-N 2 2 314.430 -1.391 20 0 DAADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000629610001 373401373 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CCN1CC[NH+](CCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236877778 373459062 /nfs/dbraw/zinc/45/90/62/373459062.db2.gz DEKVUBGRBUUJCQ-UHFFFAOYSA-N 2 2 311.430 -1.438 20 0 DAADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237044569 373459292 /nfs/dbraw/zinc/45/92/92/373459292.db2.gz FPZLODWILLCQRF-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165617 373521804 /nfs/dbraw/zinc/52/18/04/373521804.db2.gz PJPGADNHOMMMOW-NWDGAFQWSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165617 373521808 /nfs/dbraw/zinc/52/18/08/373521808.db2.gz PJPGADNHOMMMOW-NWDGAFQWSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165617 373521813 /nfs/dbraw/zinc/52/18/13/373521813.db2.gz PJPGADNHOMMMOW-NWDGAFQWSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165617 373521836 /nfs/dbraw/zinc/52/18/36/373521836.db2.gz PJPGADNHOMMMOW-NWDGAFQWSA-N 2 2 309.432 -1.322 20 0 DAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](C[NH3+])C1 ZINC000567830106 373536293 /nfs/dbraw/zinc/53/62/93/373536293.db2.gz OOMFORWELGCOSF-ABAIWWIYSA-N 2 2 323.397 -1.192 20 0 DAADLP C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](C[NH3+])C1 ZINC000567830106 373536308 /nfs/dbraw/zinc/53/63/08/373536308.db2.gz OOMFORWELGCOSF-ABAIWWIYSA-N 2 2 323.397 -1.192 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@H](O)C[NH3+])C1 ZINC000566302760 373526841 /nfs/dbraw/zinc/52/68/41/373526841.db2.gz UIHJXVKXJGRWOO-KGLIPLIRSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@H](O)C[NH3+])C1 ZINC000566302760 373526848 /nfs/dbraw/zinc/52/68/48/373526848.db2.gz UIHJXVKXJGRWOO-KGLIPLIRSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000566302760 373526853 /nfs/dbraw/zinc/52/68/53/373526853.db2.gz UIHJXVKXJGRWOO-KGLIPLIRSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000566302760 373526858 /nfs/dbraw/zinc/52/68/58/373526858.db2.gz UIHJXVKXJGRWOO-KGLIPLIRSA-N 3 2 316.446 -1.289 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000567735235 373536531 /nfs/dbraw/zinc/53/65/31/373536531.db2.gz ADBHTCAAIVOYON-VHSXEESVSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000567735235 373536544 /nfs/dbraw/zinc/53/65/44/373536544.db2.gz ADBHTCAAIVOYON-VHSXEESVSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000580948368 373597441 /nfs/dbraw/zinc/59/74/41/373597441.db2.gz VNRSFHCUQCOGPS-FRRDWIJNSA-N 2 2 323.459 -1.063 20 0 DAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000580948368 373597448 /nfs/dbraw/zinc/59/74/48/373597448.db2.gz VNRSFHCUQCOGPS-FRRDWIJNSA-N 2 2 323.459 -1.063 20 0 DAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268181 373545288 /nfs/dbraw/zinc/54/52/88/373545288.db2.gz SHGWQTUTGLYHTB-NEPJUHHUSA-N 2 2 323.397 -1.001 20 0 DAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268181 373545295 /nfs/dbraw/zinc/54/52/95/373545295.db2.gz SHGWQTUTGLYHTB-NEPJUHHUSA-N 2 2 323.397 -1.001 20 0 DAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268183 373546089 /nfs/dbraw/zinc/54/60/89/373546089.db2.gz SHGWQTUTGLYHTB-RYUDHWBXSA-N 2 2 323.397 -1.001 20 0 DAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCC3)CCN2C1=O ZINC000568268183 373546101 /nfs/dbraw/zinc/54/61/01/373546101.db2.gz SHGWQTUTGLYHTB-RYUDHWBXSA-N 2 2 323.397 -1.001 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742590 373555286 /nfs/dbraw/zinc/55/52/86/373555286.db2.gz ZBUPNYMVEHLLTF-QWHCGFSZSA-N 2 2 323.459 -1.074 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742590 373555293 /nfs/dbraw/zinc/55/52/93/373555293.db2.gz ZBUPNYMVEHLLTF-QWHCGFSZSA-N 2 2 323.459 -1.074 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000573742590 373555299 /nfs/dbraw/zinc/55/52/99/373555299.db2.gz ZBUPNYMVEHLLTF-QWHCGFSZSA-N 2 2 323.459 -1.074 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000573681180 373557443 /nfs/dbraw/zinc/55/74/43/373557443.db2.gz RVHWKJSXHIUQAU-NSHDSACASA-N 2 2 314.386 -1.501 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999410 373567544 /nfs/dbraw/zinc/56/75/44/373567544.db2.gz GKFDUYQCZQAOAG-AVGNSLFASA-N 2 2 301.387 -1.485 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999410 373567554 /nfs/dbraw/zinc/56/75/54/373567554.db2.gz GKFDUYQCZQAOAG-AVGNSLFASA-N 2 2 301.387 -1.485 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000575999410 373567560 /nfs/dbraw/zinc/56/75/60/373567560.db2.gz GKFDUYQCZQAOAG-AVGNSLFASA-N 2 2 301.387 -1.485 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576957655 373569858 /nfs/dbraw/zinc/56/98/58/373569858.db2.gz QCUPRKIHCCQIQX-DVVUODLYSA-N 2 2 309.370 -1.393 20 0 DAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576957655 373569865 /nfs/dbraw/zinc/56/98/65/373569865.db2.gz QCUPRKIHCCQIQX-DVVUODLYSA-N 2 2 309.370 -1.393 20 0 DAADLP CCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576943741 373570540 /nfs/dbraw/zinc/57/05/40/373570540.db2.gz VEJOVBVMMKXWDU-LLVKDONJSA-N 2 2 306.432 -1.193 20 0 DAADLP CCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576943741 373570549 /nfs/dbraw/zinc/57/05/49/373570549.db2.gz VEJOVBVMMKXWDU-LLVKDONJSA-N 2 2 306.432 -1.193 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577292369 373573387 /nfs/dbraw/zinc/57/33/87/373573387.db2.gz IVCKYSFYMDWBAI-DCAQKATOSA-N 2 2 311.386 -1.147 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577292369 373573392 /nfs/dbraw/zinc/57/33/92/373573392.db2.gz IVCKYSFYMDWBAI-DCAQKATOSA-N 2 2 311.386 -1.147 20 0 DAADLP C[N@H+]1CCN(C(=O)CCn2nc3ccccn3c2=O)[C@@H](C[NH3+])C1 ZINC000577175542 373573991 /nfs/dbraw/zinc/57/39/91/373573991.db2.gz BLYYYTVOEMEYHY-LBPRGKRZSA-N 2 2 318.381 -1.013 20 0 DAADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000577344893 373575191 /nfs/dbraw/zinc/57/51/91/373575191.db2.gz QXACEZBLAWPPIE-NZEXEKPDSA-N 2 2 312.414 -1.424 20 0 DAADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000577498682 373578119 /nfs/dbraw/zinc/57/81/19/373578119.db2.gz FBMRJPGYELEHJX-GHMZBOCLSA-N 2 2 319.431 -1.695 20 0 DAADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000577498682 373578126 /nfs/dbraw/zinc/57/81/26/373578126.db2.gz FBMRJPGYELEHJX-GHMZBOCLSA-N 2 2 319.431 -1.695 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031435 373654157 /nfs/dbraw/zinc/65/41/57/373654157.db2.gz NETOMGJNWCXWCA-HEHGZKQESA-N 2 2 324.425 -1.149 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031436 373654197 /nfs/dbraw/zinc/65/41/97/373654197.db2.gz NETOMGJNWCXWCA-WOSRLPQWSA-N 2 2 324.425 -1.149 20 0 DAADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)C[NH3+])CC1 ZINC000581887314 373604781 /nfs/dbraw/zinc/60/47/81/373604781.db2.gz MFEJBVNRNCHYQS-UHFFFAOYSA-N 3 2 306.370 -1.153 20 0 DAADLP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632214058 373709064 /nfs/dbraw/zinc/70/90/64/373709064.db2.gz QMJDWJRYJUTANF-RYUDHWBXSA-N 2 2 307.416 -1.697 20 0 DAADLP C[N@H+]1CC[C@](O)(CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632214058 373709070 /nfs/dbraw/zinc/70/90/70/373709070.db2.gz QMJDWJRYJUTANF-RYUDHWBXSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@](O)(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632214058 373709076 /nfs/dbraw/zinc/70/90/76/373709076.db2.gz QMJDWJRYJUTANF-RYUDHWBXSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@](O)(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632214058 373709081 /nfs/dbraw/zinc/70/90/81/373709081.db2.gz QMJDWJRYJUTANF-RYUDHWBXSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000627462185 373677743 /nfs/dbraw/zinc/67/77/43/373677743.db2.gz LNUSSNWSLCORJU-UHFFFAOYSA-N 2 2 316.402 -1.871 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000627462318 373678165 /nfs/dbraw/zinc/67/81/65/373678165.db2.gz QEAFRJSJBVKIBG-GFCCVEGCSA-N 2 2 316.402 -1.825 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000627462318 373678171 /nfs/dbraw/zinc/67/81/71/373678171.db2.gz QEAFRJSJBVKIBG-GFCCVEGCSA-N 2 2 316.402 -1.825 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000627462773 373678184 /nfs/dbraw/zinc/67/81/84/373678184.db2.gz CIXJSNQBSHHBLR-UHFFFAOYSA-N 2 2 316.402 -1.871 20 0 DAADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473158 373681638 /nfs/dbraw/zinc/68/16/38/373681638.db2.gz IFTLOPUHJAARRB-OLZOCXBDSA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473158 373681646 /nfs/dbraw/zinc/68/16/46/373681646.db2.gz IFTLOPUHJAARRB-OLZOCXBDSA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473157 373682144 /nfs/dbraw/zinc/68/21/44/373682144.db2.gz IFTLOPUHJAARRB-CHWSQXEVSA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473157 373682148 /nfs/dbraw/zinc/68/21/48/373682148.db2.gz IFTLOPUHJAARRB-CHWSQXEVSA-N 2 2 312.414 -1.110 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627487343 373686742 /nfs/dbraw/zinc/68/67/42/373686742.db2.gz AFQUBDFJARTUCP-UHFFFAOYSA-N 2 2 316.402 -1.741 20 0 DAADLP CNC(=O)NC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631874153 373697582 /nfs/dbraw/zinc/69/75/82/373697582.db2.gz YETXLUBVZJKDFT-LBPRGKRZSA-N 2 2 313.402 -1.562 20 0 DAADLP CNC(=O)NC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631874153 373697590 /nfs/dbraw/zinc/69/75/90/373697590.db2.gz YETXLUBVZJKDFT-LBPRGKRZSA-N 2 2 313.402 -1.562 20 0 DAADLP CCOCC[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631919582 373700576 /nfs/dbraw/zinc/70/05/76/373700576.db2.gz WGPAFFXKMRHGHP-ZDUSSCGKSA-N 2 2 321.443 -1.041 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631950601 373703246 /nfs/dbraw/zinc/70/32/46/373703246.db2.gz LXYFQYTUHINZBK-CYBMUJFWSA-N 3 2 322.475 -1.222 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631950601 373703252 /nfs/dbraw/zinc/70/32/52/373703252.db2.gz LXYFQYTUHINZBK-CYBMUJFWSA-N 3 2 322.475 -1.222 20 0 DAADLP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632135946 373706895 /nfs/dbraw/zinc/70/68/95/373706895.db2.gz HTIRRLNYACKLOU-RYUDHWBXSA-N 2 2 309.432 -1.451 20 0 DAADLP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632135946 373706905 /nfs/dbraw/zinc/70/69/05/373706905.db2.gz HTIRRLNYACKLOU-RYUDHWBXSA-N 2 2 309.432 -1.451 20 0 DAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538542 373721294 /nfs/dbraw/zinc/72/12/94/373721294.db2.gz PADPJIQBCMLYMD-XQQFMLRXSA-N 2 2 319.427 -1.602 20 0 DAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538542 373721306 /nfs/dbraw/zinc/72/13/06/373721306.db2.gz PADPJIQBCMLYMD-XQQFMLRXSA-N 2 2 319.427 -1.602 20 0 DAADLP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538542 373721320 /nfs/dbraw/zinc/72/13/20/373721320.db2.gz PADPJIQBCMLYMD-XQQFMLRXSA-N 2 2 319.427 -1.602 20 0 DAADLP C[NH+]1CCO[C@H](CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538542 373721329 /nfs/dbraw/zinc/72/13/29/373721329.db2.gz PADPJIQBCMLYMD-XQQFMLRXSA-N 2 2 319.427 -1.602 20 0 DAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000633118016 373731053 /nfs/dbraw/zinc/73/10/53/373731053.db2.gz HJDUMMYPNLGPJY-UPJWGTAASA-N 2 2 310.398 -1.132 20 0 DAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444169762 545781670 /nfs/dbraw/zinc/78/16/70/545781670.db2.gz SCWMVRUKZKGHTJ-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000459803479 545785675 /nfs/dbraw/zinc/78/56/75/545785675.db2.gz BXCPVEDHXWKXPY-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423388532 269711022 /nfs/dbraw/zinc/71/10/22/269711022.db2.gz UCIPVAVIRKXEQH-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000127592696 269721163 /nfs/dbraw/zinc/72/11/63/269721163.db2.gz QFJFSRUWQDLLTK-STQMWFEESA-N 2 2 310.398 -1.355 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192640242 781977976 /nfs/dbraw/zinc/97/79/76/781977976.db2.gz UYHVENXAVUHYCP-VXGBXAGGSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192640242 781977980 /nfs/dbraw/zinc/97/79/80/781977980.db2.gz UYHVENXAVUHYCP-VXGBXAGGSA-N 2 2 312.370 -1.488 20 0 DAADLP CC1(OCC(=O)NCC(=O)NCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000649307770 545800246 /nfs/dbraw/zinc/80/02/46/545800246.db2.gz INZREYPBXBQUED-UHFFFAOYSA-N 2 2 314.386 -2.071 20 0 DAADLP C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000120666463 132149575 /nfs/dbraw/zinc/14/95/75/132149575.db2.gz NEQHOQVCFACGDR-CYBMUJFWSA-N 2 2 312.414 -1.155 20 0 DAADLP C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000121609778 132157067 /nfs/dbraw/zinc/15/70/67/132157067.db2.gz VTHIFTMGFDQOBI-CYBMUJFWSA-N 2 2 312.414 -1.107 20 0 DAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627386515 545829841 /nfs/dbraw/zinc/82/98/41/545829841.db2.gz QCQDPGZYNCYLMC-NEPJUHHUSA-N 2 2 314.386 -2.072 20 0 DAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627386515 545829845 /nfs/dbraw/zinc/82/98/45/545829845.db2.gz QCQDPGZYNCYLMC-NEPJUHHUSA-N 2 2 314.386 -2.072 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662921606 545840881 /nfs/dbraw/zinc/84/08/81/545840881.db2.gz MAUXCZCFRZXUQM-UHFFFAOYSA-N 2 2 300.403 -1.027 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653105972 409328594 /nfs/dbraw/zinc/32/85/94/409328594.db2.gz OHQLJQCOEYKHNH-CYBMUJFWSA-N 2 2 313.446 -1.066 20 0 DAADLP [NH3+]C1(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000662737114 409328254 /nfs/dbraw/zinc/32/82/54/409328254.db2.gz MXHOTJIPPAQIEJ-GFCCVEGCSA-N 2 2 310.398 -1.083 20 0 DAADLP C[NH+]1CCN(C(=O)CC(O)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000408052495 409362189 /nfs/dbraw/zinc/36/21/89/409362189.db2.gz VGIVUWGSWUWIPF-UHFFFAOYSA-N 2 2 312.414 -1.325 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000408088562 409366650 /nfs/dbraw/zinc/36/66/50/409366650.db2.gz KADQKLQDFXHFMY-LLVKDONJSA-N 2 2 304.416 -1.487 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000408088562 409366654 /nfs/dbraw/zinc/36/66/54/409366654.db2.gz KADQKLQDFXHFMY-LLVKDONJSA-N 2 2 304.416 -1.487 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408100108 409369681 /nfs/dbraw/zinc/36/96/81/409369681.db2.gz SSGGLVXBNKAMKL-NSHDSACASA-N 2 2 314.386 -1.271 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443492 409382694 /nfs/dbraw/zinc/38/26/94/409382694.db2.gz QEOYDNKMYZUKCN-VXGBXAGGSA-N 2 2 323.397 -1.225 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443492 409382701 /nfs/dbraw/zinc/38/27/01/409382701.db2.gz QEOYDNKMYZUKCN-VXGBXAGGSA-N 2 2 323.397 -1.225 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443491 409382825 /nfs/dbraw/zinc/38/28/25/409382825.db2.gz QEOYDNKMYZUKCN-RYUDHWBXSA-N 2 2 323.397 -1.225 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531443491 409382832 /nfs/dbraw/zinc/38/28/32/409382832.db2.gz QEOYDNKMYZUKCN-RYUDHWBXSA-N 2 2 323.397 -1.225 20 0 DAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636746314 409385892 /nfs/dbraw/zinc/38/58/92/409385892.db2.gz GPNRJIZTIWPAGC-KGLIPLIRSA-N 2 2 313.446 -1.012 20 0 DAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636746314 409385896 /nfs/dbraw/zinc/38/58/96/409385896.db2.gz GPNRJIZTIWPAGC-KGLIPLIRSA-N 2 2 313.446 -1.012 20 0 DAADLP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000644885465 409388925 /nfs/dbraw/zinc/38/89/25/409388925.db2.gz OBOGXEYWXHWHOU-UONOGXRCSA-N 2 2 312.414 -1.814 20 0 DAADLP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000644885465 409388928 /nfs/dbraw/zinc/38/89/28/409388928.db2.gz OBOGXEYWXHWHOU-UONOGXRCSA-N 2 2 312.414 -1.814 20 0 DAADLP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)C(N)=O ZINC000338303408 409390621 /nfs/dbraw/zinc/39/06/21/409390621.db2.gz GLOXEKYQPUFRLK-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)C(N)=O ZINC000338303408 409390623 /nfs/dbraw/zinc/39/06/23/409390623.db2.gz GLOXEKYQPUFRLK-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647829752 409397510 /nfs/dbraw/zinc/39/75/10/409397510.db2.gz UTJMSTUHNMMWLT-DTWKUNHWSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647829752 409397516 /nfs/dbraw/zinc/39/75/16/409397516.db2.gz UTJMSTUHNMMWLT-DTWKUNHWSA-N 2 2 309.370 -1.482 20 0 DAADLP COC(=O)[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000411901294 409397973 /nfs/dbraw/zinc/39/79/73/409397973.db2.gz GFPYNYSRQCOPBV-ZDUSSCGKSA-N 2 2 312.414 -1.203 20 0 DAADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410503956 409338301 /nfs/dbraw/zinc/33/83/01/409338301.db2.gz QBVHIGHGBMEGOH-UHFFFAOYSA-N 2 2 300.403 -1.203 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(NC[C@H](C)C[NH+](C)C)n1 ZINC000488980873 409338395 /nfs/dbraw/zinc/33/83/95/409338395.db2.gz LXLRCCJWPLIELB-NSHDSACASA-N 2 2 311.434 -1.029 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000488980873 409338414 /nfs/dbraw/zinc/33/84/14/409338414.db2.gz LXLRCCJWPLIELB-NSHDSACASA-N 2 2 311.434 -1.029 20 0 DAADLP CC(C)Nc1nc(NC[C@H](C)C[NH+](C)C)nc(NCCO)[nH+]1 ZINC000488980873 409338419 /nfs/dbraw/zinc/33/84/19/409338419.db2.gz LXLRCCJWPLIELB-NSHDSACASA-N 2 2 311.434 -1.029 20 0 DAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650865816 409346271 /nfs/dbraw/zinc/34/62/71/409346271.db2.gz RMWOODAYZIRMAW-GXTWGEPZSA-N 2 2 311.430 -1.307 20 0 DAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650865816 409346277 /nfs/dbraw/zinc/34/62/77/409346277.db2.gz RMWOODAYZIRMAW-GXTWGEPZSA-N 2 2 311.430 -1.307 20 0 DAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650865816 409346279 /nfs/dbraw/zinc/34/62/79/409346279.db2.gz RMWOODAYZIRMAW-GXTWGEPZSA-N 2 2 311.430 -1.307 20 0 DAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650865816 409346283 /nfs/dbraw/zinc/34/62/83/409346283.db2.gz RMWOODAYZIRMAW-GXTWGEPZSA-N 2 2 311.430 -1.307 20 0 DAADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C[NH+]1CCOCC1 ZINC000638091185 409404652 /nfs/dbraw/zinc/40/46/52/409404652.db2.gz REIPVCFBTVNBPM-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1=O ZINC000638125648 409405091 /nfs/dbraw/zinc/40/50/91/409405091.db2.gz FXTMNHGTQSIPCP-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH2+]CC1=O ZINC000638131500 409407934 /nfs/dbraw/zinc/40/79/34/409407934.db2.gz FHEXELQARIYUFI-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP COCCCS(=O)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000647990927 409427170 /nfs/dbraw/zinc/42/71/70/409427170.db2.gz VQBXCNITABAUIY-UHFFFAOYSA-N 2 2 309.432 -1.054 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332635020 409460805 /nfs/dbraw/zinc/46/08/05/409460805.db2.gz FHECMUDHQVZMJX-KBPBESRZSA-N 2 2 324.425 -1.155 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000346154614 409439493 /nfs/dbraw/zinc/43/94/93/409439493.db2.gz REBXSPHEIHOMRH-KBPBESRZSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000346154614 409439498 /nfs/dbraw/zinc/43/94/98/409439498.db2.gz REBXSPHEIHOMRH-KBPBESRZSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000347663813 409444637 /nfs/dbraw/zinc/44/46/37/409444637.db2.gz NGSVOZYBGBLFEP-KBPBESRZSA-N 2 2 315.414 -1.236 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000347663815 409445514 /nfs/dbraw/zinc/44/55/14/409445514.db2.gz NGSVOZYBGBLFEP-UONOGXRCSA-N 2 2 315.414 -1.236 20 0 DAADLP C[C@@H](O)C[N@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000351924704 409461588 /nfs/dbraw/zinc/46/15/88/409461588.db2.gz HSDBXCWCCFBVAI-CYBMUJFWSA-N 2 2 317.430 -1.112 20 0 DAADLP C[C@@H](O)C[N@@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000351924704 409461593 /nfs/dbraw/zinc/46/15/93/409461593.db2.gz HSDBXCWCCFBVAI-CYBMUJFWSA-N 2 2 317.430 -1.112 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332667266 409462773 /nfs/dbraw/zinc/46/27/73/409462773.db2.gz YNDGXKLKBHFCFJ-UONOGXRCSA-N 2 2 324.425 -1.182 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332667266 409462775 /nfs/dbraw/zinc/46/27/75/409462775.db2.gz YNDGXKLKBHFCFJ-UONOGXRCSA-N 2 2 324.425 -1.182 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332674533 409463138 /nfs/dbraw/zinc/46/31/38/409463138.db2.gz RCWAHIIEEIUTJE-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H](C[NH3+])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000353430108 409474109 /nfs/dbraw/zinc/47/41/09/409474109.db2.gz RACMMAJFEQBRGQ-NSHDSACASA-N 2 2 319.369 -1.014 20 0 DAADLP Cn1cnn(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1=O ZINC000352450989 409468874 /nfs/dbraw/zinc/46/88/74/409468874.db2.gz QBNVFCSHNRPZPK-UHFFFAOYSA-N 2 2 310.402 -1.276 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000355598226 409482898 /nfs/dbraw/zinc/48/28/98/409482898.db2.gz PSMUGAZGIMTJAE-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000355598226 409482899 /nfs/dbraw/zinc/48/28/99/409482899.db2.gz PSMUGAZGIMTJAE-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000429675368 409566124 /nfs/dbraw/zinc/56/61/24/409566124.db2.gz GFZLTOAPYPRFOV-UHFFFAOYSA-N 2 2 319.431 -2.028 20 0 DAADLP CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000430698237 409567558 /nfs/dbraw/zinc/56/75/58/409567558.db2.gz YRYZNVVAJJMUBK-AAEUAGOBSA-N 2 2 300.403 -1.076 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000371220766 409512379 /nfs/dbraw/zinc/51/23/79/409512379.db2.gz SKZDXTWNAOLCLD-PWSUYJOCSA-N 2 2 323.397 -1.131 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000371220766 409512380 /nfs/dbraw/zinc/51/23/80/409512380.db2.gz SKZDXTWNAOLCLD-PWSUYJOCSA-N 2 2 323.397 -1.131 20 0 DAADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372357023 409515330 /nfs/dbraw/zinc/51/53/30/409515330.db2.gz NSZVJYONNJWQRN-ZIAGYGMSSA-N 2 2 312.414 -1.814 20 0 DAADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000373216269 409515373 /nfs/dbraw/zinc/51/53/73/409515373.db2.gz MUXLIAJYVASTRE-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000373216269 409515377 /nfs/dbraw/zinc/51/53/77/409515377.db2.gz MUXLIAJYVASTRE-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP NS(=O)(=O)CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000170917362 409524766 /nfs/dbraw/zinc/52/47/66/409524766.db2.gz OWCDNWCCWJDPGQ-UHFFFAOYSA-N 2 2 318.443 -1.095 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535442 409532532 /nfs/dbraw/zinc/53/25/32/409532532.db2.gz RNLMNJLBLXIGFB-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535442 409532540 /nfs/dbraw/zinc/53/25/40/409532540.db2.gz RNLMNJLBLXIGFB-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535442 409532542 /nfs/dbraw/zinc/53/25/42/409532542.db2.gz RNLMNJLBLXIGFB-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535442 409532550 /nfs/dbraw/zinc/53/25/50/409532550.db2.gz RNLMNJLBLXIGFB-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420152307 409536903 /nfs/dbraw/zinc/53/69/03/409536903.db2.gz ONNAYJLMRJUQDI-UHFFFAOYSA-N 2 2 308.329 -1.513 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423039681 409546898 /nfs/dbraw/zinc/54/68/98/409546898.db2.gz QXVMOHUJPUCBPK-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000423055246 409547135 /nfs/dbraw/zinc/54/71/35/409547135.db2.gz CZBURJHNWGITDX-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423388534 409547903 /nfs/dbraw/zinc/54/79/03/409547903.db2.gz UCIPVAVIRKXEQH-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423484747 409548220 /nfs/dbraw/zinc/54/82/20/409548220.db2.gz AELHJWNIUBPWBI-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CCOC(=O)COCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000517019987 409630282 /nfs/dbraw/zinc/63/02/82/409630282.db2.gz JSSCNVXSPFVEAB-NSHDSACASA-N 2 2 302.375 -1.150 20 0 DAADLP CCOC(=O)COCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000517019987 409630290 /nfs/dbraw/zinc/63/02/90/409630290.db2.gz JSSCNVXSPFVEAB-NSHDSACASA-N 2 2 302.375 -1.150 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000521620678 409633674 /nfs/dbraw/zinc/63/36/74/409633674.db2.gz PYEIMHZELFCEJC-QWRGUYRKSA-N 2 2 315.370 -1.027 20 0 DAADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000430940979 409571002 /nfs/dbraw/zinc/57/10/02/409571002.db2.gz SRGRATGHAAAKEL-GFCCVEGCSA-N 2 2 320.459 -1.075 20 0 DAADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000430940979 409571007 /nfs/dbraw/zinc/57/10/07/409571007.db2.gz SRGRATGHAAAKEL-GFCCVEGCSA-N 2 2 320.459 -1.075 20 0 DAADLP Cn1cc(N2CC[C@H]([N@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)cn1 ZINC000430630141 409571167 /nfs/dbraw/zinc/57/11/67/409571167.db2.gz XPHLSXUZIPTYFU-ZDUSSCGKSA-N 2 2 320.397 -1.111 20 0 DAADLP Cn1cc(N2CC[C@H]([N@@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)cn1 ZINC000430630141 409571170 /nfs/dbraw/zinc/57/11/70/409571170.db2.gz XPHLSXUZIPTYFU-ZDUSSCGKSA-N 2 2 320.397 -1.111 20 0 DAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000659722498 409695087 /nfs/dbraw/zinc/69/50/87/409695087.db2.gz GQTRUYAPOPVZEN-LBPRGKRZSA-N 2 2 310.398 -1.083 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000659749286 409697670 /nfs/dbraw/zinc/69/76/70/409697670.db2.gz GGVWOCLPXWNEES-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659746035 409698425 /nfs/dbraw/zinc/69/84/25/409698425.db2.gz YIGOZMZXYIJUQA-UHFFFAOYSA-N 2 2 310.398 -1.355 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774321 782012747 /nfs/dbraw/zinc/01/27/47/782012747.db2.gz MEFFGVVFHPYGCI-GRYCIOLGSA-N 2 2 312.414 -1.104 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662709850 409712684 /nfs/dbraw/zinc/71/26/84/409712684.db2.gz SYWCPHACLWLMFU-ZDUSSCGKSA-N 2 2 310.398 -1.212 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774321 782012757 /nfs/dbraw/zinc/01/27/57/782012757.db2.gz MEFFGVVFHPYGCI-GRYCIOLGSA-N 2 2 312.414 -1.104 20 0 DAADLP C[N@@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@H](C[NH3+])C1 ZINC000662430465 409708548 /nfs/dbraw/zinc/70/85/48/409708548.db2.gz XYUNQCXDJIXDLK-GFCCVEGCSA-N 2 2 323.401 -1.330 20 0 DAADLP C[N@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@H](C[NH3+])C1 ZINC000662430465 409708556 /nfs/dbraw/zinc/70/85/56/409708556.db2.gz XYUNQCXDJIXDLK-GFCCVEGCSA-N 2 2 323.401 -1.330 20 0 DAADLP O=C(NC1CC1)C(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251806 409709437 /nfs/dbraw/zinc/70/94/37/409709437.db2.gz HNBUSZRJKFTBIN-ZDUSSCGKSA-N 2 2 322.409 -1.070 20 0 DAADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288467 409709725 /nfs/dbraw/zinc/70/97/25/409709725.db2.gz HZQRSKBVVOQGOM-NWDGAFQWSA-N 2 2 309.432 -1.728 20 0 DAADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288467 409709731 /nfs/dbraw/zinc/70/97/31/409709731.db2.gz HZQRSKBVVOQGOM-NWDGAFQWSA-N 2 2 309.432 -1.728 20 0 DAADLP NC(=O)NC(=O)CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530223796 409648375 /nfs/dbraw/zinc/64/83/75/409648375.db2.gz RAQYCSSDABOKIO-UHFFFAOYSA-N 2 2 312.374 -1.786 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529374294 409649367 /nfs/dbraw/zinc/64/93/67/409649367.db2.gz JPPWNNFSQPIZHO-NSHDSACASA-N 2 2 313.402 -1.434 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649279442 409655165 /nfs/dbraw/zinc/65/51/65/409655165.db2.gz PVCCXKGKEDBSHV-ZDUSSCGKSA-N 2 2 310.398 -1.259 20 0 DAADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658099903 409681352 /nfs/dbraw/zinc/68/13/52/409681352.db2.gz GOPHGYHMQMRVKM-UHFFFAOYSA-N 2 2 314.430 -1.079 20 0 DAADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658099903 409681357 /nfs/dbraw/zinc/68/13/57/409681357.db2.gz GOPHGYHMQMRVKM-UHFFFAOYSA-N 2 2 314.430 -1.079 20 0 DAADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659696103 409690193 /nfs/dbraw/zinc/69/01/93/409690193.db2.gz IIVWLNADNWTFEM-KKOKHZNYSA-N 2 2 316.377 -1.281 20 0 DAADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659696103 409690197 /nfs/dbraw/zinc/69/01/97/409690197.db2.gz IIVWLNADNWTFEM-KKOKHZNYSA-N 2 2 316.377 -1.281 20 0 DAADLP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662955082 409721637 /nfs/dbraw/zinc/72/16/37/409721637.db2.gz OHDNXIZWEQDMOP-ZDUSSCGKSA-N 2 2 310.398 -1.259 20 0 DAADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662965243 409721674 /nfs/dbraw/zinc/72/16/74/409721674.db2.gz IQICHVCJWFFVNF-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662953546 409722037 /nfs/dbraw/zinc/72/20/37/409722037.db2.gz KDTHCVVGFPTYRQ-OLZOCXBDSA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000662955967 409722134 /nfs/dbraw/zinc/72/21/34/409722134.db2.gz LFQZNKZILRKWLX-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 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323.463 -1.282 20 0 DAADLP CCOC(=O)Cn1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000594526560 409780066 /nfs/dbraw/zinc/78/00/66/409780066.db2.gz BMPSGKKLMCZLJT-LLVKDONJSA-N 2 2 324.385 -0.447 20 0 DAADLP CCOC(=O)Cn1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000594526560 409780073 /nfs/dbraw/zinc/78/00/73/409780073.db2.gz BMPSGKKLMCZLJT-LLVKDONJSA-N 2 2 324.385 -0.447 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656615 409713122 /nfs/dbraw/zinc/71/31/22/409713122.db2.gz QIKOJMQFUPNDSX-CHWSQXEVSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(C[N@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1)N1CCCC1 ZINC000662672445 409715911 /nfs/dbraw/zinc/71/59/11/409715911.db2.gz AWQMLLCUEDQYCO-UHFFFAOYSA-N 2 2 310.398 -1.523 20 0 DAADLP O=C(C[N@@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1)N1CCCC1 ZINC000662672445 409715920 /nfs/dbraw/zinc/71/59/20/409715920.db2.gz AWQMLLCUEDQYCO-UHFFFAOYSA-N 2 2 310.398 -1.523 20 0 DAADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662753451 409719821 /nfs/dbraw/zinc/71/98/21/409719821.db2.gz ZELJSCQZFPGTCX-LBPRGKRZSA-N 2 2 310.398 -1.524 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O)C1CCC1 ZINC001193791604 782016363 /nfs/dbraw/zinc/01/63/63/782016363.db2.gz MNIGYLMUHBDGJE-ZIAGYGMSSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O)C1CCC1 ZINC001193791604 782016370 /nfs/dbraw/zinc/01/63/70/782016370.db2.gz MNIGYLMUHBDGJE-ZIAGYGMSSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)C1CCC1 ZINC001193791604 782016378 /nfs/dbraw/zinc/01/63/78/782016378.db2.gz MNIGYLMUHBDGJE-ZIAGYGMSSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)C1CCC1 ZINC001193791604 782016384 /nfs/dbraw/zinc/01/63/84/782016384.db2.gz MNIGYLMUHBDGJE-ZIAGYGMSSA-N 2 2 324.425 -1.136 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001193829105 782019273 /nfs/dbraw/zinc/01/92/73/782019273.db2.gz WHJNCDNHDJKAFO-HZSPNIEDSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001193829105 782019283 /nfs/dbraw/zinc/01/92/83/782019283.db2.gz WHJNCDNHDJKAFO-HZSPNIEDSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC001193829105 782019268 /nfs/dbraw/zinc/01/92/68/782019268.db2.gz WHJNCDNHDJKAFO-HZSPNIEDSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001193829105 782019290 /nfs/dbraw/zinc/01/92/90/782019290.db2.gz WHJNCDNHDJKAFO-HZSPNIEDSA-N 2 2 324.425 -1.137 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821034 782019816 /nfs/dbraw/zinc/01/98/16/782019816.db2.gz BRLFPWPBZBIBEN-HZSPNIEDSA-N 2 2 324.425 -1.089 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821034 782019822 /nfs/dbraw/zinc/01/98/22/782019822.db2.gz BRLFPWPBZBIBEN-HZSPNIEDSA-N 2 2 324.425 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CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001194086092 782026225 /nfs/dbraw/zinc/02/62/25/782026225.db2.gz PAJKWGCWGXCVDN-IJLUTSLNSA-N 2 2 300.403 -1.424 20 0 DAADLP CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000179111839 262486047 /nfs/dbraw/zinc/48/60/47/262486047.db2.gz GYDMVYINVSOQSQ-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000346834662 263225366 /nfs/dbraw/zinc/22/53/66/263225366.db2.gz SRXVIEJWVHMDIN-MXWKQRLJSA-N 2 2 312.370 -1.750 20 0 DAADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCOCC1 ZINC000362827740 263226159 /nfs/dbraw/zinc/22/61/59/263226159.db2.gz UZQYZDJTHYDCRW-CYBMUJFWSA-N 2 2 310.398 -1.259 20 0 DAADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCOCC1 ZINC000362827740 263226161 /nfs/dbraw/zinc/22/61/61/263226161.db2.gz UZQYZDJTHYDCRW-CYBMUJFWSA-N 2 2 310.398 -1.259 20 0 DAADLP C[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000237750451 263227606 /nfs/dbraw/zinc/22/76/06/263227606.db2.gz VCSRHVDDLNYESH-HNNXBMFYSA-N 2 2 312.414 -1.059 20 0 DAADLP Cn1c2ncn(CC[N@H+](CC[NH3+])CCO)c2c(=O)n(C)c1=O ZINC000342407252 263231898 /nfs/dbraw/zinc/23/18/98/263231898.db2.gz BOERYQDCYWRZQZ-UHFFFAOYSA-N 2 2 310.358 -2.313 20 0 DAADLP Cn1c2ncn(CC[N@@H+](CC[NH3+])CCO)c2c(=O)n(C)c1=O ZINC000342407252 263231899 /nfs/dbraw/zinc/23/18/99/263231899.db2.gz BOERYQDCYWRZQZ-UHFFFAOYSA-N 2 2 310.358 -2.313 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419882491 263236501 /nfs/dbraw/zinc/23/65/01/263236501.db2.gz XVKLNDXUMDQYLX-TXEJJXNPSA-N 2 2 300.403 -1.110 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419882491 263236503 /nfs/dbraw/zinc/23/65/03/263236503.db2.gz XVKLNDXUMDQYLX-TXEJJXNPSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000347174783 263239046 /nfs/dbraw/zinc/23/90/46/263239046.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 2 2 301.435 -1.154 20 0 DAADLP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000347174783 263239048 /nfs/dbraw/zinc/23/90/48/263239048.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 2 2 301.435 -1.154 20 0 DAADLP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000347174783 263239050 /nfs/dbraw/zinc/23/90/50/263239050.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 2 2 301.435 -1.154 20 0 DAADLP CC[NH+](CCO)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000347174783 263239053 /nfs/dbraw/zinc/23/90/53/263239053.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 2 2 301.435 -1.154 20 0 DAADLP CN(CCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)S(C)(=O)=O ZINC000359269949 263239984 /nfs/dbraw/zinc/23/99/84/263239984.db2.gz DRNPRJGQBQICFW-TXEJJXNPSA-N 2 2 318.443 -1.465 20 0 DAADLP CN(CCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)S(C)(=O)=O ZINC000359269949 263239986 /nfs/dbraw/zinc/23/99/86/263239986.db2.gz DRNPRJGQBQICFW-TXEJJXNPSA-N 2 2 318.443 -1.465 20 0 DAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000361452137 263241075 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CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000263259696 263244677 /nfs/dbraw/zinc/24/46/77/263244677.db2.gz SCWZNOPKSSWMPB-AAEUAGOBSA-N 2 2 300.403 -1.077 20 0 DAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000423607979 263245255 /nfs/dbraw/zinc/24/52/55/263245255.db2.gz NBZDOZNPBOMQKJ-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000357305368 263249257 /nfs/dbraw/zinc/24/92/57/263249257.db2.gz KETGTSFSZJSRJR-GFCCVEGCSA-N 2 2 318.443 -1.239 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000357305368 263249260 /nfs/dbraw/zinc/24/92/60/263249260.db2.gz KETGTSFSZJSRJR-GFCCVEGCSA-N 2 2 318.443 -1.239 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000330175722 263250408 /nfs/dbraw/zinc/25/04/08/263250408.db2.gz JJBTVONQNVYOID-CYBMUJFWSA-N 2 2 308.386 -1.247 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000330175722 263250409 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ZINC000371220758 263281781 /nfs/dbraw/zinc/28/17/81/263281781.db2.gz SKZDXTWNAOLCLD-JQWIXIFHSA-N 2 2 323.397 -1.131 20 0 DAADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CC1 ZINC000362828039 263282328 /nfs/dbraw/zinc/28/23/28/263282328.db2.gz VLPYCVBTRNWUQR-GFCCVEGCSA-N 2 2 323.397 -1.129 20 0 DAADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CC1 ZINC000362828039 263282330 /nfs/dbraw/zinc/28/23/30/263282330.db2.gz VLPYCVBTRNWUQR-GFCCVEGCSA-N 2 2 323.397 -1.129 20 0 DAADLP CC(=O)NC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429673944 263286115 /nfs/dbraw/zinc/28/61/15/263286115.db2.gz BQCFAGWLNRCUPJ-CQSZACIVSA-N 2 2 312.414 -1.013 20 0 DAADLP CC(=O)NC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429673944 263286116 /nfs/dbraw/zinc/28/61/16/263286116.db2.gz BQCFAGWLNRCUPJ-CQSZACIVSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000423328820 263286129 /nfs/dbraw/zinc/28/61/29/263286129.db2.gz 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ZINC000330448303 263292216 /nfs/dbraw/zinc/29/22/16/263292216.db2.gz WGQBATHWYCTIKN-AWEZNQCLSA-N 2 2 314.430 -1.615 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431016438 263297986 /nfs/dbraw/zinc/29/79/86/263297986.db2.gz JUHIENRNWBGRCV-CYBMUJFWSA-N 2 2 310.398 -1.401 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000420020874 263298273 /nfs/dbraw/zinc/29/82/73/263298273.db2.gz GLMMLUBTSFKJGW-QWRGUYRKSA-N 2 2 314.386 -1.454 20 0 DAADLP CCC[NH2+]CCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000419912622 263298771 /nfs/dbraw/zinc/29/87/71/263298771.db2.gz XGEXJVAFQSHSNB-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H](C)[N@H+]1CCO ZINC000332338333 263299298 /nfs/dbraw/zinc/29/92/98/263299298.db2.gz PEHNJSRWJXEPLH-BETUJISGSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H](C)[N@@H+]1CCO ZINC000332338333 263299300 /nfs/dbraw/zinc/29/93/00/263299300.db2.gz PEHNJSRWJXEPLH-BETUJISGSA-N 2 2 312.414 -1.278 20 0 DAADLP O=C(CC[C@H]1CC[NH2+]C1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000261664785 263302387 /nfs/dbraw/zinc/30/23/87/263302387.db2.gz AFOUUXXDFPJIOB-ZDUSSCGKSA-N 2 2 312.414 -1.059 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420159317 263305411 /nfs/dbraw/zinc/30/54/11/263305411.db2.gz ZFOSYMRWLQNKFT-JTQLQIEISA-N 2 2 322.356 -1.124 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423626199 263308039 /nfs/dbraw/zinc/30/80/39/263308039.db2.gz FLLUAEZRLUTNGY-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237433939 263313149 /nfs/dbraw/zinc/31/31/49/263313149.db2.gz JIIRODUDKBBRBG-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP CNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000443447274 263314059 /nfs/dbraw/zinc/31/40/59/263314059.db2.gz RBOWIWCQWQEEKS-GHMZBOCLSA-N 3 2 310.450 -1.097 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423033035 263314535 /nfs/dbraw/zinc/31/45/35/263314535.db2.gz GDQZMFVTQHFXOU-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262200557 263318666 /nfs/dbraw/zinc/31/86/66/263318666.db2.gz ICRJAFRDAGFWHK-DYEKYZERSA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423681652 263324972 /nfs/dbraw/zinc/32/49/72/263324972.db2.gz OGSVCRSJCMNQMF-XQQFMLRXSA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000237486725 263325049 /nfs/dbraw/zinc/32/50/49/263325049.db2.gz VCSRHVDDLNYESH-OAHLLOKOSA-N 2 2 312.414 -1.059 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149468 782056069 /nfs/dbraw/zinc/05/60/69/782056069.db2.gz OMHYBZISRRILGA-JHJVBQTASA-N 2 2 312.370 -1.558 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149468 782056078 /nfs/dbraw/zinc/05/60/78/782056078.db2.gz OMHYBZISRRILGA-JHJVBQTASA-N 2 2 312.370 -1.558 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001195277909 782061854 /nfs/dbraw/zinc/06/18/54/782061854.db2.gz LOUREXUBPIMHJN-UMSGYPCISA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001195277909 782061862 /nfs/dbraw/zinc/06/18/62/782061862.db2.gz LOUREXUBPIMHJN-UMSGYPCISA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001195277909 782061872 /nfs/dbraw/zinc/06/18/72/782061872.db2.gz LOUREXUBPIMHJN-UMSGYPCISA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001195277909 782061881 /nfs/dbraw/zinc/06/18/81/782061881.db2.gz LOUREXUBPIMHJN-UMSGYPCISA-N 2 2 301.387 -1.751 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001195404257 782065574 /nfs/dbraw/zinc/06/55/74/782065574.db2.gz OTVBBFCXMBNTKI-AWEZNQCLSA-N 2 2 315.414 -1.140 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001195404257 782065585 /nfs/dbraw/zinc/06/55/85/782065585.db2.gz OTVBBFCXMBNTKI-AWEZNQCLSA-N 2 2 315.414 -1.140 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCOCCO)CC2)C1 ZINC001195404257 782065596 /nfs/dbraw/zinc/06/55/96/782065596.db2.gz OTVBBFCXMBNTKI-AWEZNQCLSA-N 2 2 315.414 -1.140 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)C1 ZINC001195404257 782065605 /nfs/dbraw/zinc/06/56/05/782065605.db2.gz OTVBBFCXMBNTKI-AWEZNQCLSA-N 2 2 315.414 -1.140 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404780 782066145 /nfs/dbraw/zinc/06/61/45/782066145.db2.gz SERHLWZCASQZTP-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404780 782066159 /nfs/dbraw/zinc/06/61/59/782066159.db2.gz SERHLWZCASQZTP-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001195404780 782066171 /nfs/dbraw/zinc/06/61/71/782066171.db2.gz SERHLWZCASQZTP-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404780 782066183 /nfs/dbraw/zinc/06/61/83/782066183.db2.gz SERHLWZCASQZTP-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCOCCO)CC2)C1 ZINC001195404258 782067574 /nfs/dbraw/zinc/06/75/74/782067574.db2.gz OTVBBFCXMBNTKI-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)C1 ZINC001195404258 782067583 /nfs/dbraw/zinc/06/75/83/782067583.db2.gz OTVBBFCXMBNTKI-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001195404258 782067548 /nfs/dbraw/zinc/06/75/48/782067548.db2.gz OTVBBFCXMBNTKI-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCOCCO)CC2)C1 ZINC001195404258 782067561 /nfs/dbraw/zinc/06/75/61/782067561.db2.gz OTVBBFCXMBNTKI-CQSZACIVSA-N 2 2 315.414 -1.140 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677819 782075705 /nfs/dbraw/zinc/07/57/05/782075705.db2.gz UUXCTICCTRFSPK-IJLUTSLNSA-N 2 2 312.414 -1.376 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001195660886 782075131 /nfs/dbraw/zinc/07/51/31/782075131.db2.gz AZCPQFOGRVSDPT-FRRDWIJNSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001195660886 782075137 /nfs/dbraw/zinc/07/51/37/782075137.db2.gz AZCPQFOGRVSDPT-FRRDWIJNSA-N 2 2 324.425 -1.232 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677819 782075700 /nfs/dbraw/zinc/07/57/00/782075700.db2.gz UUXCTICCTRFSPK-IJLUTSLNSA-N 2 2 312.414 -1.376 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195708959 782077307 /nfs/dbraw/zinc/07/73/07/782077307.db2.gz UNUGPXVMWFFWKO-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195708959 782077311 /nfs/dbraw/zinc/07/73/11/782077311.db2.gz UNUGPXVMWFFWKO-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708451 782077515 /nfs/dbraw/zinc/07/75/15/782077515.db2.gz OEMJPVGWRBSBJM-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708451 782077520 /nfs/dbraw/zinc/07/75/20/782077520.db2.gz OEMJPVGWRBSBJM-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871587 782086841 /nfs/dbraw/zinc/08/68/41/782086841.db2.gz QIBSMMRSAWFQCL-IVZWLZJFSA-N 2 2 315.374 -2.317 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871587 782086846 /nfs/dbraw/zinc/08/68/46/782086846.db2.gz QIBSMMRSAWFQCL-IVZWLZJFSA-N 2 2 315.374 -2.317 20 0 DAADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000569364698 332058086 /nfs/dbraw/zinc/05/80/86/332058086.db2.gz RQDLACRUMRNFSP-VHSXEESVSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000569364698 332058088 /nfs/dbraw/zinc/05/80/88/332058088.db2.gz RQDLACRUMRNFSP-VHSXEESVSA-N 2 2 323.397 -1.092 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000410472879 332148094 /nfs/dbraw/zinc/14/80/94/332148094.db2.gz SLWGGQQZVMWBAC-UHFFFAOYSA-N 2 2 312.414 -1.325 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000566244301 332276321 /nfs/dbraw/zinc/27/63/21/332276321.db2.gz IZQAVLQEXLLUIG-BBBLOLIVSA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000566244301 332276323 /nfs/dbraw/zinc/27/63/23/332276323.db2.gz IZQAVLQEXLLUIG-BBBLOLIVSA-N 2 2 323.397 -1.094 20 0 DAADLP C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](C[NH3+])C1 ZINC000563882735 335114151 /nfs/dbraw/zinc/11/41/51/335114151.db2.gz HRHQNBSGMXHKNT-NSHDSACASA-N 2 2 304.354 -1.403 20 0 DAADLP C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](C[NH3+])C1 ZINC000563882735 335114152 /nfs/dbraw/zinc/11/41/52/335114152.db2.gz HRHQNBSGMXHKNT-NSHDSACASA-N 2 2 304.354 -1.403 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531204205 333330869 /nfs/dbraw/zinc/33/08/69/333330869.db2.gz FYNNCLDMIXAJDH-WDEREUQCSA-N 2 2 309.370 -1.615 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C1=O ZINC000531204205 333330871 /nfs/dbraw/zinc/33/08/71/333330871.db2.gz FYNNCLDMIXAJDH-WDEREUQCSA-N 2 2 309.370 -1.615 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443489 333353764 /nfs/dbraw/zinc/35/37/64/333353764.db2.gz QEOYDNKMYZUKCN-NEPJUHHUSA-N 2 2 323.397 -1.225 20 0 DAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531443489 333353765 /nfs/dbraw/zinc/35/37/65/333353765.db2.gz QEOYDNKMYZUKCN-NEPJUHHUSA-N 2 2 323.397 -1.225 20 0 DAADLP COC(=O)CCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000563153297 333398185 /nfs/dbraw/zinc/39/81/85/333398185.db2.gz KCDMYUPKUWWWKH-UHFFFAOYSA-N 2 2 300.359 -1.971 20 0 DAADLP COC(=O)CCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000563153297 333398187 /nfs/dbraw/zinc/39/81/87/333398187.db2.gz KCDMYUPKUWWWKH-UHFFFAOYSA-N 2 2 300.359 -1.971 20 0 DAADLP Cn1[nH]c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1=O ZINC000563153305 333398241 /nfs/dbraw/zinc/39/82/41/333398241.db2.gz PGDRBUWEQFJZMO-LLVKDONJSA-N 2 2 308.386 -1.248 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000535024302 334356644 /nfs/dbraw/zinc/35/66/44/334356644.db2.gz AYOCITQCIHVGBG-NWDGAFQWSA-N 2 2 308.382 -1.018 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1=O ZINC000535024302 334356645 /nfs/dbraw/zinc/35/66/45/334356645.db2.gz AYOCITQCIHVGBG-NWDGAFQWSA-N 2 2 308.382 -1.018 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000535024305 334356657 /nfs/dbraw/zinc/35/66/57/334356657.db2.gz AYOCITQCIHVGBG-VXGBXAGGSA-N 2 2 308.382 -1.018 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)C1=O ZINC000535024305 334356658 /nfs/dbraw/zinc/35/66/58/334356658.db2.gz AYOCITQCIHVGBG-VXGBXAGGSA-N 2 2 308.382 -1.018 20 0 DAADLP CC1CC[NH+](C[C@@H](O)CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000582179201 335733407 /nfs/dbraw/zinc/73/34/07/335733407.db2.gz PLWBYOVWNWRPHH-ZDUSSCGKSA-N 2 2 312.414 -1.373 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207585 782096757 /nfs/dbraw/zinc/09/67/57/782096757.db2.gz RBXPGOKFOQRFLU-QJPTWQEYSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207585 782096768 /nfs/dbraw/zinc/09/67/68/782096768.db2.gz RBXPGOKFOQRFLU-QJPTWQEYSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196207585 782096780 /nfs/dbraw/zinc/09/67/80/782096780.db2.gz RBXPGOKFOQRFLU-QJPTWQEYSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196207585 782096784 /nfs/dbraw/zinc/09/67/84/782096784.db2.gz RBXPGOKFOQRFLU-QJPTWQEYSA-N 2 2 314.430 -1.001 20 0 DAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000582497944 337101994 /nfs/dbraw/zinc/10/19/94/337101994.db2.gz AULXLRCJNRRRLA-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583312459 337313929 /nfs/dbraw/zinc/31/39/29/337313929.db2.gz GLOQMAHYRXIRKJ-NSHDSACASA-N 2 2 306.370 -1.297 20 0 DAADLP CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583312458 337314039 /nfs/dbraw/zinc/31/40/39/337314039.db2.gz GLOQMAHYRXIRKJ-LLVKDONJSA-N 2 2 306.370 -1.297 20 0 DAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477563 337347837 /nfs/dbraw/zinc/34/78/37/337347837.db2.gz LOUQLXDQASFURU-RYUDHWBXSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477563 337347838 /nfs/dbraw/zinc/34/78/38/337347838.db2.gz LOUQLXDQASFURU-RYUDHWBXSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477563 337347839 /nfs/dbraw/zinc/34/78/39/337347839.db2.gz LOUQLXDQASFURU-RYUDHWBXSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477563 337347840 /nfs/dbraw/zinc/34/78/40/337347840.db2.gz LOUQLXDQASFURU-RYUDHWBXSA-N 2 2 308.448 -1.196 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419848433 337492763 /nfs/dbraw/zinc/49/27/63/337492763.db2.gz USWWEECEIHSPLE-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1CC[NH2+]CC1=O ZINC000564935928 341513511 /nfs/dbraw/zinc/51/35/11/341513511.db2.gz HPYXXXYVNJUIJT-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP [NH3+]CC(F)(F)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000566862590 341570157 /nfs/dbraw/zinc/57/01/57/341570157.db2.gz NLINWRDJEJXMGZ-UHFFFAOYSA-N 2 2 308.329 -1.465 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954029 782118119 /nfs/dbraw/zinc/11/81/19/782118119.db2.gz NVIRLZCNDHNBIV-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954029 782118124 /nfs/dbraw/zinc/11/81/24/782118124.db2.gz NVIRLZCNDHNBIV-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197045027 782121647 /nfs/dbraw/zinc/12/16/47/782121647.db2.gz ZSKHWNFJMMLEFT-UHFFFAOYSA-N 2 2 313.402 -1.072 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197045027 782121651 /nfs/dbraw/zinc/12/16/51/782121651.db2.gz ZSKHWNFJMMLEFT-UHFFFAOYSA-N 2 2 313.402 -1.072 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197050137 782122367 /nfs/dbraw/zinc/12/23/67/782122367.db2.gz YCURTVKGFHMDBV-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197050137 782122361 /nfs/dbraw/zinc/12/23/61/782122361.db2.gz YCURTVKGFHMDBV-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197057712 782122695 /nfs/dbraw/zinc/12/26/95/782122695.db2.gz HJBRPZYYRXMCIJ-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826057 782141836 /nfs/dbraw/zinc/14/18/36/782141836.db2.gz OMEUVHNLRRBEFW-GRYCIOLGSA-N 2 2 316.402 -2.010 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197776439 782141116 /nfs/dbraw/zinc/14/11/16/782141116.db2.gz WXPMHZSCKRIWDE-CHWSQXEVSA-N 2 2 312.370 -1.867 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197776439 782141122 /nfs/dbraw/zinc/14/11/22/782141122.db2.gz WXPMHZSCKRIWDE-CHWSQXEVSA-N 2 2 312.370 -1.867 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826057 782141839 /nfs/dbraw/zinc/14/18/39/782141839.db2.gz OMEUVHNLRRBEFW-GRYCIOLGSA-N 2 2 316.402 -2.010 20 0 DAADLP C[NH+](C)CCOCC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001197818291 782142990 /nfs/dbraw/zinc/14/29/90/782142990.db2.gz ZFDMHWMAQQYLND-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](C)CCOCC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001197818291 782142993 /nfs/dbraw/zinc/14/29/93/782142993.db2.gz ZFDMHWMAQQYLND-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926733 782143958 /nfs/dbraw/zinc/14/39/58/782143958.db2.gz VFHFSZUJGAZHGQ-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926733 782143964 /nfs/dbraw/zinc/14/39/64/782143964.db2.gz VFHFSZUJGAZHGQ-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197948929 782144955 /nfs/dbraw/zinc/14/49/55/782144955.db2.gz OEMICVCJOFUJEB-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197948929 782144960 /nfs/dbraw/zinc/14/49/60/782144960.db2.gz OEMICVCJOFUJEB-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001198020925 782146416 /nfs/dbraw/zinc/14/64/16/782146416.db2.gz SKVDBKRSLMZVCO-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001198020925 782146424 /nfs/dbraw/zinc/14/64/24/782146424.db2.gz SKVDBKRSLMZVCO-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001198020925 782146431 /nfs/dbraw/zinc/14/64/31/782146431.db2.gz SKVDBKRSLMZVCO-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001198020925 782146436 /nfs/dbraw/zinc/14/64/36/782146436.db2.gz SKVDBKRSLMZVCO-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001198047446 782147389 /nfs/dbraw/zinc/14/73/89/782147389.db2.gz NFJZLNYDJZPHME-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001198047446 782147395 /nfs/dbraw/zinc/14/73/95/782147395.db2.gz NFJZLNYDJZPHME-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001198047446 782147396 /nfs/dbraw/zinc/14/73/96/782147396.db2.gz NFJZLNYDJZPHME-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001198047446 782147402 /nfs/dbraw/zinc/14/74/02/782147402.db2.gz NFJZLNYDJZPHME-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098549 782149766 /nfs/dbraw/zinc/14/97/66/782149766.db2.gz ZSPDRJAOVRNZKK-LLVKDONJSA-N 2 2 311.386 -1.333 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098549 782149770 /nfs/dbraw/zinc/14/97/70/782149770.db2.gz ZSPDRJAOVRNZKK-LLVKDONJSA-N 2 2 311.386 -1.333 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098549 782149779 /nfs/dbraw/zinc/14/97/79/782149779.db2.gz ZSPDRJAOVRNZKK-LLVKDONJSA-N 2 2 311.386 -1.333 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](CC(=O)NC(N)=O)CC2)C1 ZINC001198098549 782149784 /nfs/dbraw/zinc/14/97/84/782149784.db2.gz ZSPDRJAOVRNZKK-LLVKDONJSA-N 2 2 311.386 -1.333 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198698871 782160458 /nfs/dbraw/zinc/16/04/58/782160458.db2.gz HBSLMKIKVMSAOK-YNEHKIRRSA-N 2 2 301.387 -1.892 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198698871 782160454 /nfs/dbraw/zinc/16/04/54/782160454.db2.gz HBSLMKIKVMSAOK-YNEHKIRRSA-N 2 2 301.387 -1.892 20 0 DAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198670978 782160539 /nfs/dbraw/zinc/16/05/39/782160539.db2.gz ADXKNLGONYFDCM-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198670978 782160541 /nfs/dbraw/zinc/16/05/41/782160541.db2.gz ADXKNLGONYFDCM-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000354511025 521705029 /nfs/dbraw/zinc/70/50/29/521705029.db2.gz OUWKZVXSPQFJIX-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000354511025 521705031 /nfs/dbraw/zinc/70/50/31/521705031.db2.gz OUWKZVXSPQFJIX-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CCOCC1 ZINC000338248800 522672818 /nfs/dbraw/zinc/67/28/18/522672818.db2.gz GZKUAJUZAKIYGT-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CCOCC1 ZINC000338248800 522672832 /nfs/dbraw/zinc/67/28/32/522672832.db2.gz GZKUAJUZAKIYGT-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199023451 782166965 /nfs/dbraw/zinc/16/69/65/782166965.db2.gz KICSQOBJRKITIG-HZSPNIEDSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199023451 782166956 /nfs/dbraw/zinc/16/69/56/782166956.db2.gz KICSQOBJRKITIG-HZSPNIEDSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199023452 782166986 /nfs/dbraw/zinc/16/69/86/782166986.db2.gz KICSQOBJRKITIG-MGPQQGTHSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199023452 782166994 /nfs/dbraw/zinc/16/69/94/782166994.db2.gz KICSQOBJRKITIG-MGPQQGTHSA-N 2 2 324.425 -1.088 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394460423 545644874 /nfs/dbraw/zinc/64/48/74/545644874.db2.gz QAOUENYHQKSYES-OCCSQVGLSA-N 2 2 311.430 -1.408 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000662953184 545648875 /nfs/dbraw/zinc/64/88/75/545648875.db2.gz LFQZNKZILRKWLX-OLZOCXBDSA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000343082979 545696592 /nfs/dbraw/zinc/69/65/92/545696592.db2.gz GBDLZGCAQJRZNZ-UPJWGTAASA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000343082979 545696595 /nfs/dbraw/zinc/69/65/95/545696595.db2.gz GBDLZGCAQJRZNZ-UPJWGTAASA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000343082979 545696600 /nfs/dbraw/zinc/69/66/00/545696600.db2.gz GBDLZGCAQJRZNZ-UPJWGTAASA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000343082979 545696602 /nfs/dbraw/zinc/69/66/02/545696602.db2.gz GBDLZGCAQJRZNZ-UPJWGTAASA-N 2 2 312.414 -1.171 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000351530525 545720217 /nfs/dbraw/zinc/72/02/17/545720217.db2.gz AYPLQAXNIGBDMY-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000351530526 545720939 /nfs/dbraw/zinc/72/09/39/545720939.db2.gz AYPLQAXNIGBDMY-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)C[C@H]2[NH3+])cn1 ZINC000331977359 545729169 /nfs/dbraw/zinc/72/91/69/545729169.db2.gz UDZSITOLBGZGBU-QWHCGFSZSA-N 2 2 320.397 -1.553 20 0 DAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000332087543 545730116 /nfs/dbraw/zinc/73/01/16/545730116.db2.gz ISAIWFLJTHCZFU-NSHDSACASA-N 2 2 307.354 -1.328 20 0 DAADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000332087543 545730123 /nfs/dbraw/zinc/73/01/23/545730123.db2.gz ISAIWFLJTHCZFU-NSHDSACASA-N 2 2 307.354 -1.328 20 0 DAADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cn2)CC1 ZINC000353036069 545735761 /nfs/dbraw/zinc/73/57/61/545735761.db2.gz YVIOOSQUWNGWRA-NSHDSACASA-N 2 2 306.370 -1.025 20 0 DAADLP CCN1C(=O)[C@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000362339982 545743984 /nfs/dbraw/zinc/74/39/84/545743984.db2.gz JDCDLIMMKMPFMS-GFCCVEGCSA-N 2 2 323.397 -1.271 20 0 DAADLP CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000362339982 545743985 /nfs/dbraw/zinc/74/39/85/545743985.db2.gz JDCDLIMMKMPFMS-GFCCVEGCSA-N 2 2 323.397 -1.271 20 0 DAADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CC1 ZINC000362828054 545747698 /nfs/dbraw/zinc/74/76/98/545747698.db2.gz VLPYCVBTRNWUQR-LBPRGKRZSA-N 2 2 323.397 -1.129 20 0 DAADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CC1 ZINC000362828054 545747704 /nfs/dbraw/zinc/74/77/04/545747704.db2.gz VLPYCVBTRNWUQR-LBPRGKRZSA-N 2 2 323.397 -1.129 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000659755232 545763530 /nfs/dbraw/zinc/76/35/30/545763530.db2.gz KCCZSHMCFADDKC-LBPRGKRZSA-N 2 2 322.413 -1.212 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623206 545773178 /nfs/dbraw/zinc/77/31/78/545773178.db2.gz BNAZLQKVHKNZBJ-AVGNSLFASA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459932196 545786916 /nfs/dbraw/zinc/78/69/16/545786916.db2.gz KNTIWPUHTVUVPI-CYBMUJFWSA-N 2 2 324.425 -1.182 20 0 DAADLP C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](C[NH3+])C1 ZINC000162668302 545799246 /nfs/dbraw/zinc/79/92/46/545799246.db2.gz JOWFQSYTEPHJHI-LLVKDONJSA-N 2 2 316.365 -1.107 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656287494 545817229 /nfs/dbraw/zinc/81/72/29/545817229.db2.gz XZUJCGRIIKVLHH-NWDGAFQWSA-N 2 2 307.354 -1.723 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656287494 545817235 /nfs/dbraw/zinc/81/72/35/545817235.db2.gz XZUJCGRIIKVLHH-NWDGAFQWSA-N 2 2 307.354 -1.723 20 0 DAADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000670385520 545824764 /nfs/dbraw/zinc/82/47/64/545824764.db2.gz LMPDXKZXNJIEGY-UONOGXRCSA-N 2 2 314.430 -1.568 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000671552431 545837650 /nfs/dbraw/zinc/83/76/50/545837650.db2.gz LWUQGSPOFCQEDY-AWEZNQCLSA-N 2 2 308.386 -1.511 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000671552431 545837656 /nfs/dbraw/zinc/83/76/56/545837656.db2.gz LWUQGSPOFCQEDY-AWEZNQCLSA-N 2 2 308.386 -1.511 20 0 DAADLP CN(CCC[NH3+])C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000662933312 545842121 /nfs/dbraw/zinc/84/21/21/545842121.db2.gz XINPCHJSSFCLEO-UHFFFAOYSA-N 2 2 322.413 -1.129 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662929285 545842496 /nfs/dbraw/zinc/84/24/96/545842496.db2.gz ZHRQCYVBZHRXEE-UHFFFAOYSA-N 2 2 300.403 -1.027 20 0 DAADLP C[NH+]1CCN(CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000673908559 545866729 /nfs/dbraw/zinc/86/67/29/545866729.db2.gz VLXRTVYGQPFXHK-UHFFFAOYSA-N 2 2 311.430 -1.358 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111834 782171769 /nfs/dbraw/zinc/17/17/69/782171769.db2.gz OLLIUTMIQSANNM-YNEHKIRRSA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111834 782171771 /nfs/dbraw/zinc/17/17/71/782171771.db2.gz OLLIUTMIQSANNM-YNEHKIRRSA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111834 782171776 /nfs/dbraw/zinc/17/17/76/782171776.db2.gz OLLIUTMIQSANNM-YNEHKIRRSA-N 2 2 314.430 -1.035 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111834 782171779 /nfs/dbraw/zinc/17/17/79/782171779.db2.gz OLLIUTMIQSANNM-YNEHKIRRSA-N 2 2 314.430 -1.035 20 0 DAADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NC(CO)(CO)CO)CC1 ZINC001199359640 782176415 /nfs/dbraw/zinc/17/64/15/782176415.db2.gz GJKHLLUMNGINKU-UHFFFAOYSA-N 2 2 324.381 -1.721 20 0 DAADLP C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1C[NH+](CC(N)=O)C1 ZINC000969688332 662324480 /nfs/dbraw/zinc/32/44/80/662324480.db2.gz SZSYMISGRYBISD-NSHDSACASA-N 2 2 322.413 -1.020 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)C1 ZINC000970091934 662341669 /nfs/dbraw/zinc/34/16/69/662341669.db2.gz VMIUFIUYEWDFHS-UTUOFQBUSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)C1 ZINC000970091934 662341670 /nfs/dbraw/zinc/34/16/70/662341670.db2.gz VMIUFIUYEWDFHS-UTUOFQBUSA-N 2 2 321.381 -1.408 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970103582 662342163 /nfs/dbraw/zinc/34/21/63/662342163.db2.gz PSIBKJQJLIBNDL-KOLCDFICSA-N 2 2 305.338 -1.052 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020930659 662344893 /nfs/dbraw/zinc/34/48/93/662344893.db2.gz ZLPHIADCMLBNQQ-MGCOHNPYSA-N 2 2 319.369 -1.179 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC001021051779 662349112 /nfs/dbraw/zinc/34/91/12/662349112.db2.gz OTEMCWWMNLRBES-XYPYZODXSA-N 2 2 308.386 -1.059 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001021126297 662354734 /nfs/dbraw/zinc/35/47/34/662354734.db2.gz JFPKXZPZNWDPAE-DCAQKATOSA-N 2 2 305.338 -1.075 20 0 DAADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970763641 662369705 /nfs/dbraw/zinc/36/97/05/662369705.db2.gz UBBMOKKQLVAZHD-OCCSQVGLSA-N 2 2 310.398 -1.227 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)C1 ZINC000970956082 662375707 /nfs/dbraw/zinc/37/57/07/662375707.db2.gz BYDDXPGMWYJGPK-RTXFEEFZSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)C1 ZINC000970956082 662375708 /nfs/dbraw/zinc/37/57/08/662375708.db2.gz BYDDXPGMWYJGPK-RTXFEEFZSA-N 2 2 321.381 -1.408 20 0 DAADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1)[NH+](C)C ZINC000970952605 662376216 /nfs/dbraw/zinc/37/62/16/662376216.db2.gz SMAVCLKVRXIVAO-UPJWGTAASA-N 2 2 323.397 -1.020 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001021895460 662382556 /nfs/dbraw/zinc/38/25/56/662382556.db2.gz MQKQLSQHLKMOMW-AXFHLTTASA-N 2 2 308.386 -1.061 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001021895460 662382559 /nfs/dbraw/zinc/38/25/59/662382559.db2.gz MQKQLSQHLKMOMW-AXFHLTTASA-N 2 2 308.386 -1.061 20 0 DAADLP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001021928408 662382866 /nfs/dbraw/zinc/38/28/66/662382866.db2.gz PQMDRIFSLLVZAC-LOWVWBTDSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001021928408 662382873 /nfs/dbraw/zinc/38/28/73/662382873.db2.gz PQMDRIFSLLVZAC-LOWVWBTDSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001021928113 662382928 /nfs/dbraw/zinc/38/29/28/662382928.db2.gz MQGSBZQLJQFTIU-LOWVWBTDSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001021928113 662382930 /nfs/dbraw/zinc/38/29/30/662382930.db2.gz MQGSBZQLJQFTIU-LOWVWBTDSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021927364 662383294 /nfs/dbraw/zinc/38/32/94/662383294.db2.gz DMSJLHNMPRHCOD-LOWVWBTDSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021927364 662383295 /nfs/dbraw/zinc/38/32/95/662383295.db2.gz DMSJLHNMPRHCOD-LOWVWBTDSA-N 2 2 308.386 -1.118 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022775636 662405944 /nfs/dbraw/zinc/40/59/44/662405944.db2.gz BFHUHIXICVTCDI-NGZCFLSTSA-N 2 2 305.338 -1.006 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022978319 662421034 /nfs/dbraw/zinc/42/10/34/662421034.db2.gz ZLPHIADCMLBNQQ-AOOOYVTPSA-N 2 2 319.369 -1.179 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292668 662445437 /nfs/dbraw/zinc/44/54/37/662445437.db2.gz ZOGUUKFESFMBJS-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292668 662445440 /nfs/dbraw/zinc/44/54/40/662445440.db2.gz ZOGUUKFESFMBJS-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292668 662445442 /nfs/dbraw/zinc/44/54/42/662445442.db2.gz ZOGUUKFESFMBJS-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292668 662445444 /nfs/dbraw/zinc/44/54/44/662445444.db2.gz ZOGUUKFESFMBJS-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292666 662445673 /nfs/dbraw/zinc/44/56/73/662445673.db2.gz ZOGUUKFESFMBJS-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292666 662445674 /nfs/dbraw/zinc/44/56/74/662445674.db2.gz ZOGUUKFESFMBJS-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292666 662445675 /nfs/dbraw/zinc/44/56/75/662445675.db2.gz ZOGUUKFESFMBJS-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292666 662445676 /nfs/dbraw/zinc/44/56/76/662445676.db2.gz ZOGUUKFESFMBJS-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001024413772 662473220 /nfs/dbraw/zinc/47/32/20/662473220.db2.gz SRWZUXQHPRUSTJ-JHJVBQTASA-N 2 2 323.397 -1.089 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719886 662527427 /nfs/dbraw/zinc/52/74/27/662527427.db2.gz WNSGQEIIUDMJBP-RGDJUOJXSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719886 662527431 /nfs/dbraw/zinc/52/74/31/662527431.db2.gz WNSGQEIIUDMJBP-RGDJUOJXSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719886 662527435 /nfs/dbraw/zinc/52/74/35/662527435.db2.gz WNSGQEIIUDMJBP-RGDJUOJXSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719886 662527438 /nfs/dbraw/zinc/52/74/38/662527438.db2.gz WNSGQEIIUDMJBP-RGDJUOJXSA-N 2 2 324.425 -1.160 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001025804977 662532844 /nfs/dbraw/zinc/53/28/44/662532844.db2.gz YWHDOXKBIXNLSE-CHWSQXEVSA-N 2 2 321.381 -1.264 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818336 662534294 /nfs/dbraw/zinc/53/42/94/662534294.db2.gz PCYWBCABJBMRLS-HUXGKSLCSA-N 2 2 324.425 -1.114 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818336 662534295 /nfs/dbraw/zinc/53/42/95/662534295.db2.gz PCYWBCABJBMRLS-HUXGKSLCSA-N 2 2 324.425 -1.114 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001025818336 662534297 /nfs/dbraw/zinc/53/42/97/662534297.db2.gz PCYWBCABJBMRLS-HUXGKSLCSA-N 2 2 324.425 -1.114 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001025818336 662534298 /nfs/dbraw/zinc/53/42/98/662534298.db2.gz PCYWBCABJBMRLS-HUXGKSLCSA-N 2 2 324.425 -1.114 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147798 662542889 /nfs/dbraw/zinc/54/28/89/662542889.db2.gz NMIRKYTZLWPBEJ-PDWCTOEPSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147798 662542890 /nfs/dbraw/zinc/54/28/90/662542890.db2.gz NMIRKYTZLWPBEJ-PDWCTOEPSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147798 662542891 /nfs/dbraw/zinc/54/28/91/662542891.db2.gz NMIRKYTZLWPBEJ-PDWCTOEPSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147798 662542892 /nfs/dbraw/zinc/54/28/92/662542892.db2.gz NMIRKYTZLWPBEJ-PDWCTOEPSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147799 662543184 /nfs/dbraw/zinc/54/31/84/662543184.db2.gz NMIRKYTZLWPBEJ-RGDJUOJXSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147799 662543185 /nfs/dbraw/zinc/54/31/85/662543185.db2.gz NMIRKYTZLWPBEJ-RGDJUOJXSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147799 662543187 /nfs/dbraw/zinc/54/31/87/662543187.db2.gz NMIRKYTZLWPBEJ-RGDJUOJXSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147799 662543189 /nfs/dbraw/zinc/54/31/89/662543189.db2.gz NMIRKYTZLWPBEJ-RGDJUOJXSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000979075777 662619841 /nfs/dbraw/zinc/61/98/41/662619841.db2.gz XIZPMAIHQTZYER-RVMXOQNASA-N 2 2 310.398 -1.514 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000979075777 662619843 /nfs/dbraw/zinc/61/98/43/662619843.db2.gz XIZPMAIHQTZYER-RVMXOQNASA-N 2 2 310.398 -1.514 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000979075777 662619847 /nfs/dbraw/zinc/61/98/47/662619847.db2.gz XIZPMAIHQTZYER-RVMXOQNASA-N 2 2 310.398 -1.514 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979075777 662619850 /nfs/dbraw/zinc/61/98/50/662619850.db2.gz XIZPMAIHQTZYER-RVMXOQNASA-N 2 2 310.398 -1.514 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461265 662672446 /nfs/dbraw/zinc/67/24/46/662672446.db2.gz NEPCVUJUWYEQET-QWHCGFSZSA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461265 662672448 /nfs/dbraw/zinc/67/24/48/662672448.db2.gz NEPCVUJUWYEQET-QWHCGFSZSA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461265 662672450 /nfs/dbraw/zinc/67/24/50/662672450.db2.gz NEPCVUJUWYEQET-QWHCGFSZSA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461265 662672452 /nfs/dbraw/zinc/67/24/52/662672452.db2.gz NEPCVUJUWYEQET-QWHCGFSZSA-N 2 2 312.414 -1.157 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990509693 662764108 /nfs/dbraw/zinc/76/41/08/662764108.db2.gz ZVORZXXPKLDDHK-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000990509693 662764112 /nfs/dbraw/zinc/76/41/12/662764112.db2.gz ZVORZXXPKLDDHK-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990509693 662764114 /nfs/dbraw/zinc/76/41/14/662764114.db2.gz ZVORZXXPKLDDHK-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990509693 662764117 /nfs/dbraw/zinc/76/41/17/662764117.db2.gz ZVORZXXPKLDDHK-STQMWFEESA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC000990620809 662768638 /nfs/dbraw/zinc/76/86/38/662768638.db2.gz BQVZQUVHOJQRDA-UONOGXRCSA-N 2 2 324.425 -1.016 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC000990620809 662768639 /nfs/dbraw/zinc/76/86/39/662768639.db2.gz BQVZQUVHOJQRDA-UONOGXRCSA-N 2 2 324.425 -1.016 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628953 662768777 /nfs/dbraw/zinc/76/87/77/662768777.db2.gz HLVJTUCRCRNVQT-JSGCOSHPSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628953 662768782 /nfs/dbraw/zinc/76/87/82/662768782.db2.gz HLVJTUCRCRNVQT-JSGCOSHPSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990628953 662768787 /nfs/dbraw/zinc/76/87/87/662768787.db2.gz HLVJTUCRCRNVQT-JSGCOSHPSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990628953 662768790 /nfs/dbraw/zinc/76/87/90/662768790.db2.gz HLVJTUCRCRNVQT-JSGCOSHPSA-N 2 2 324.425 -1.014 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990623125 662768911 /nfs/dbraw/zinc/76/89/11/662768911.db2.gz PIRVLULJIMNPJB-CYBMUJFWSA-N 2 2 321.381 -1.151 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990623125 662768912 /nfs/dbraw/zinc/76/89/12/662768912.db2.gz PIRVLULJIMNPJB-CYBMUJFWSA-N 2 2 321.381 -1.151 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCN1C(=O)CNC1=O ZINC001038114470 662770006 /nfs/dbraw/zinc/77/00/06/662770006.db2.gz FVFOUJUAEROVKO-NWDGAFQWSA-N 2 2 323.397 -1.177 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCN1C(=O)CNC1=O ZINC001038114470 662770009 /nfs/dbraw/zinc/77/00/09/662770009.db2.gz FVFOUJUAEROVKO-NWDGAFQWSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001038114470 662770011 /nfs/dbraw/zinc/77/00/11/662770011.db2.gz FVFOUJUAEROVKO-NWDGAFQWSA-N 2 2 323.397 -1.177 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001038114470 662770015 /nfs/dbraw/zinc/77/00/15/662770015.db2.gz FVFOUJUAEROVKO-NWDGAFQWSA-N 2 2 323.397 -1.177 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900984898 662780217 /nfs/dbraw/zinc/78/02/17/662780217.db2.gz QHDPWLMWKJVTSB-KCQAQPDRSA-N 2 2 315.414 -1.407 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900984898 662780221 /nfs/dbraw/zinc/78/02/21/662780221.db2.gz QHDPWLMWKJVTSB-KCQAQPDRSA-N 2 2 315.414 -1.407 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900984897 662780308 /nfs/dbraw/zinc/78/03/08/662780308.db2.gz QHDPWLMWKJVTSB-IPYPFGDCSA-N 2 2 315.414 -1.407 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900984897 662780310 /nfs/dbraw/zinc/78/03/10/662780310.db2.gz QHDPWLMWKJVTSB-IPYPFGDCSA-N 2 2 315.414 -1.407 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900984899 662780324 /nfs/dbraw/zinc/78/03/24/662780324.db2.gz QHDPWLMWKJVTSB-VNHYZAJKSA-N 2 2 315.414 -1.407 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900984899 662780325 /nfs/dbraw/zinc/78/03/25/662780325.db2.gz QHDPWLMWKJVTSB-VNHYZAJKSA-N 2 2 315.414 -1.407 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000905012145 662793146 /nfs/dbraw/zinc/79/31/46/662793146.db2.gz ZEWRKOJORMYBGR-WOSRLPQWSA-N 2 2 324.425 -1.149 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000905017750 662793783 /nfs/dbraw/zinc/79/37/83/662793783.db2.gz VWQNQHUZDLDQPF-XQQFMLRXSA-N 2 2 312.414 -1.016 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000905017750 662793786 /nfs/dbraw/zinc/79/37/86/662793786.db2.gz VWQNQHUZDLDQPF-XQQFMLRXSA-N 2 2 312.414 -1.016 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000905017749 662793832 /nfs/dbraw/zinc/79/38/32/662793832.db2.gz VWQNQHUZDLDQPF-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000905017749 662793834 /nfs/dbraw/zinc/79/38/34/662793834.db2.gz VWQNQHUZDLDQPF-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000905345803 662795490 /nfs/dbraw/zinc/79/54/90/662795490.db2.gz YHPOAPAGFUCKAK-LBPRGKRZSA-N 2 2 307.416 -1.384 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000910922958 663134615 /nfs/dbraw/zinc/13/46/15/663134615.db2.gz IEGTTZLLWLGNAV-KGLIPLIRSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910922958 663134618 /nfs/dbraw/zinc/13/46/18/663134618.db2.gz IEGTTZLLWLGNAV-KGLIPLIRSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035310 663135813 /nfs/dbraw/zinc/13/58/13/663135813.db2.gz SQCPAKLMXUZSTL-GFCCVEGCSA-N 3 2 323.441 -1.121 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)CC1 ZINC000911035310 663135814 /nfs/dbraw/zinc/13/58/14/663135814.db2.gz SQCPAKLMXUZSTL-GFCCVEGCSA-N 3 2 323.441 -1.121 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000911228493 663140456 /nfs/dbraw/zinc/14/04/56/663140456.db2.gz GMXAEXQUGDFNGN-NEPJUHHUSA-N 2 2 309.370 -1.165 20 0 DAADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912616180 663154305 /nfs/dbraw/zinc/15/43/05/663154305.db2.gz XVLRHIVTHIOQAV-VXGBXAGGSA-N 2 2 323.397 -1.020 20 0 DAADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912616177 663154344 /nfs/dbraw/zinc/15/43/44/663154344.db2.gz XVLRHIVTHIOQAV-NEPJUHHUSA-N 2 2 323.397 -1.020 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)CC1=O ZINC000912743757 663155107 /nfs/dbraw/zinc/15/51/07/663155107.db2.gz FEEQJPCZAZCHQU-OLZOCXBDSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1=O ZINC000912743757 663155108 /nfs/dbraw/zinc/15/51/08/663155108.db2.gz FEEQJPCZAZCHQU-OLZOCXBDSA-N 2 2 312.414 -1.469 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991746177 663192782 /nfs/dbraw/zinc/19/27/82/663192782.db2.gz FZBWGEIGRCBAEU-ZDUSSCGKSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991746177 663192786 /nfs/dbraw/zinc/19/27/86/663192786.db2.gz FZBWGEIGRCBAEU-ZDUSSCGKSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCN3CCCC3=O)C2)C1 ZINC001031594024 663301010 /nfs/dbraw/zinc/30/10/10/663301010.db2.gz RROAMMXLKHKIRY-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCN3CCCC3=O)C2)C1 ZINC001031594024 663301014 /nfs/dbraw/zinc/30/10/14/663301014.db2.gz RROAMMXLKHKIRY-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001031597245 663301983 /nfs/dbraw/zinc/30/19/83/663301983.db2.gz XRTYPIYLKVUDFV-KGLIPLIRSA-N 2 2 324.425 -1.014 20 0 DAADLP CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001031597245 663301987 /nfs/dbraw/zinc/30/19/87/663301987.db2.gz XRTYPIYLKVUDFV-KGLIPLIRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001031596973 663302247 /nfs/dbraw/zinc/30/22/47/663302247.db2.gz 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ZINC001083644973 677814936 /nfs/dbraw/zinc/81/49/36/677814936.db2.gz DVORAWQDSZBCHQ-OLZOCXBDSA-N 2 2 319.369 -1.355 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083644973 677814942 /nfs/dbraw/zinc/81/49/42/677814942.db2.gz DVORAWQDSZBCHQ-OLZOCXBDSA-N 2 2 319.369 -1.355 20 0 DAADLP C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+]1CCSCC1 ZINC000913182450 677823121 /nfs/dbraw/zinc/82/31/21/677823121.db2.gz HOXUMOAPTAAVQU-WCQYABFASA-N 2 2 303.428 -1.109 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723282 677847796 /nfs/dbraw/zinc/84/77/96/677847796.db2.gz CUQQTKUETZSMPH-HZSPNIEDSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723282 677847799 /nfs/dbraw/zinc/84/77/99/677847799.db2.gz CUQQTKUETZSMPH-HZSPNIEDSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723282 677847801 /nfs/dbraw/zinc/84/78/01/677847801.db2.gz CUQQTKUETZSMPH-HZSPNIEDSA-N 2 2 315.414 -1.097 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040799212 677851987 /nfs/dbraw/zinc/85/19/87/677851987.db2.gz XFEMDRDSIWEXLU-OAHLLOKOSA-N 2 2 323.397 -1.017 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781583 677863872 /nfs/dbraw/zinc/86/38/72/677863872.db2.gz NMGRYKYCFASFKR-MJBXVCDLSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781583 677863876 /nfs/dbraw/zinc/86/38/76/677863876.db2.gz NMGRYKYCFASFKR-MJBXVCDLSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781583 677863879 /nfs/dbraw/zinc/86/38/79/677863879.db2.gz NMGRYKYCFASFKR-MJBXVCDLSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083781583 677863881 /nfs/dbraw/zinc/86/38/81/677863881.db2.gz NMGRYKYCFASFKR-MJBXVCDLSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077675644 677872720 /nfs/dbraw/zinc/87/27/20/677872720.db2.gz UQEJBXZVAXQPLM-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077675644 677872723 /nfs/dbraw/zinc/87/27/23/677872723.db2.gz UQEJBXZVAXQPLM-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077675644 677872726 /nfs/dbraw/zinc/87/27/26/677872726.db2.gz UQEJBXZVAXQPLM-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077675644 677872729 /nfs/dbraw/zinc/87/27/29/677872729.db2.gz UQEJBXZVAXQPLM-MGPQQGTHSA-N 2 2 322.413 -1.076 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001078182179 677918734 /nfs/dbraw/zinc/91/87/34/677918734.db2.gz JHNSGTNVFXWEJI-CYZMBNFOSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001078182179 677918737 /nfs/dbraw/zinc/91/87/37/677918737.db2.gz JHNSGTNVFXWEJI-CYZMBNFOSA-N 2 2 323.397 -1.170 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2O)C1 ZINC001078206007 677920493 /nfs/dbraw/zinc/92/04/93/677920493.db2.gz LRAOLIMUHRNOGL-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@H]2O)C1 ZINC001078206007 677920497 /nfs/dbraw/zinc/92/04/97/677920497.db2.gz LRAOLIMUHRNOGL-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)C1 ZINC001078206007 677920499 /nfs/dbraw/zinc/92/04/99/677920499.db2.gz LRAOLIMUHRNOGL-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)C1 ZINC001078206007 677920503 /nfs/dbraw/zinc/92/05/03/677920503.db2.gz LRAOLIMUHRNOGL-JHJVBQTASA-N 2 2 301.387 -1.485 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081733879 678103329 /nfs/dbraw/zinc/10/33/29/678103329.db2.gz ZXVVWDTUVAEQQE-DGCLKSJQSA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001081800786 678106025 /nfs/dbraw/zinc/10/60/25/678106025.db2.gz UTDIMIZZXCNVKV-DGCLKSJQSA-N 2 2 323.397 -1.161 20 0 DAADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328530 678114505 /nfs/dbraw/zinc/11/45/05/678114505.db2.gz YTMJVOAQBWUYOD-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328530 678114506 /nfs/dbraw/zinc/11/45/06/678114506.db2.gz YTMJVOAQBWUYOD-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)O1 ZINC001083119297 678123077 /nfs/dbraw/zinc/12/30/77/678123077.db2.gz LNPYKOSINNDCDD-XJFOESAGSA-N 2 2 313.398 -1.391 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)O1 ZINC001083119297 678123078 /nfs/dbraw/zinc/12/30/78/678123078.db2.gz LNPYKOSINNDCDD-XJFOESAGSA-N 2 2 313.398 -1.391 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)O1 ZINC001083119297 678123081 /nfs/dbraw/zinc/12/30/81/678123081.db2.gz LNPYKOSINNDCDD-XJFOESAGSA-N 2 2 313.398 -1.391 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)O1 ZINC001083119297 678123084 /nfs/dbraw/zinc/12/30/84/678123084.db2.gz LNPYKOSINNDCDD-XJFOESAGSA-N 2 2 313.398 -1.391 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580735 678158897 /nfs/dbraw/zinc/15/88/97/678158897.db2.gz ISIBUORHCLPAQE-OLZOCXBDSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580735 678158900 /nfs/dbraw/zinc/15/89/00/678158900.db2.gz ISIBUORHCLPAQE-OLZOCXBDSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580735 678158901 /nfs/dbraw/zinc/15/89/01/678158901.db2.gz ISIBUORHCLPAQE-OLZOCXBDSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580735 678158903 /nfs/dbraw/zinc/15/89/03/678158903.db2.gz ISIBUORHCLPAQE-OLZOCXBDSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073447349 678171192 /nfs/dbraw/zinc/17/11/92/678171192.db2.gz OWPOYWOQKFGOTQ-LBPRGKRZSA-N 2 2 310.398 -1.273 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073447349 678171193 /nfs/dbraw/zinc/17/11/93/678171193.db2.gz OWPOYWOQKFGOTQ-LBPRGKRZSA-N 2 2 310.398 -1.273 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073447349 678171195 /nfs/dbraw/zinc/17/11/95/678171195.db2.gz OWPOYWOQKFGOTQ-LBPRGKRZSA-N 2 2 310.398 -1.273 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073447349 678171196 /nfs/dbraw/zinc/17/11/96/678171196.db2.gz OWPOYWOQKFGOTQ-LBPRGKRZSA-N 2 2 310.398 -1.273 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001073433686 678171328 /nfs/dbraw/zinc/17/13/28/678171328.db2.gz JXYYNLNDTKNCPJ-CYBMUJFWSA-N 2 2 324.425 -1.026 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001073433686 678171330 /nfs/dbraw/zinc/17/13/30/678171330.db2.gz JXYYNLNDTKNCPJ-CYBMUJFWSA-N 2 2 324.425 -1.026 20 0 DAADLP CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886548 678183245 /nfs/dbraw/zinc/18/32/45/678183245.db2.gz RCWRWYWFMULOMG-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886548 678183246 /nfs/dbraw/zinc/18/32/46/678183246.db2.gz RCWRWYWFMULOMG-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073886548 678183249 /nfs/dbraw/zinc/18/32/49/678183249.db2.gz RCWRWYWFMULOMG-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886548 678183252 /nfs/dbraw/zinc/18/32/52/678183252.db2.gz RCWRWYWFMULOMG-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001043117996 678365947 /nfs/dbraw/zinc/36/59/47/678365947.db2.gz DAXADDPEPBKFEF-LBPRGKRZSA-N 2 2 321.381 -1.476 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001043117996 678365950 /nfs/dbraw/zinc/36/59/50/678365950.db2.gz DAXADDPEPBKFEF-LBPRGKRZSA-N 2 2 321.381 -1.476 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001043118982 678366709 /nfs/dbraw/zinc/36/67/09/678366709.db2.gz QJMQGSWVNMTYIS-NSHDSACASA-N 2 2 321.381 -1.407 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001043118982 678366713 /nfs/dbraw/zinc/36/67/13/678366713.db2.gz QJMQGSWVNMTYIS-NSHDSACASA-N 2 2 321.381 -1.407 20 0 DAADLP CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1)[NH+](C)C ZINC001043677018 678388946 /nfs/dbraw/zinc/38/89/46/678388946.db2.gz DIKOCTRTHFJBAP-GFCCVEGCSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043710761 678390875 /nfs/dbraw/zinc/39/08/75/678390875.db2.gz KFIAELZEZOFIOA-UHFFFAOYSA-N 2 2 309.370 -1.476 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001044302519 678419616 /nfs/dbraw/zinc/41/96/16/678419616.db2.gz LCGFNMUQTAHGEE-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001044302519 678419619 /nfs/dbraw/zinc/41/96/19/678419619.db2.gz LCGFNMUQTAHGEE-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281540 678453691 /nfs/dbraw/zinc/45/36/91/678453691.db2.gz LOOOVLFKXBKGKZ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281540 678453694 /nfs/dbraw/zinc/45/36/94/678453694.db2.gz LOOOVLFKXBKGKZ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281542 678453860 /nfs/dbraw/zinc/45/38/60/678453860.db2.gz LPTHZQXUENPPKJ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001045282014 678453887 /nfs/dbraw/zinc/45/38/87/678453887.db2.gz SQQYOYBMLBZWKX-LLVKDONJSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001045418226 678456204 /nfs/dbraw/zinc/45/62/04/678456204.db2.gz SKNBYLMPAXRWJT-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001045714110 678470037 /nfs/dbraw/zinc/47/00/37/678470037.db2.gz YMIRKNVCHVVPFM-UHFFFAOYSA-N 2 2 309.370 -1.407 20 0 DAADLP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045720288 678470144 /nfs/dbraw/zinc/47/01/44/678470144.db2.gz QBGAWGJSYQLDFQ-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP C[C@@]1(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+](CC(N)=O)C1 ZINC001046501141 678483291 /nfs/dbraw/zinc/48/32/91/678483291.db2.gz KQTPFKRSENTZJL-FHBZKAFMSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@@]1(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+](CC(N)=O)C1 ZINC001046501141 678483293 /nfs/dbraw/zinc/48/32/93/678483293.db2.gz KQTPFKRSENTZJL-FHBZKAFMSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@@]1(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+](CC(N)=O)C1 ZINC001046501141 678483300 /nfs/dbraw/zinc/48/33/00/678483300.db2.gz KQTPFKRSENTZJL-FHBZKAFMSA-N 2 2 322.409 -1.085 20 0 DAADLP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177683 678501674 /nfs/dbraw/zinc/50/16/74/678501674.db2.gz UCSWXLQGZNREIL-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177683 678501675 /nfs/dbraw/zinc/50/16/75/678501675.db2.gz UCSWXLQGZNREIL-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047172676 678501931 /nfs/dbraw/zinc/50/19/31/678501931.db2.gz WJFBJSAGBVDYIB-GFCCVEGCSA-N 2 2 321.381 -1.264 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047172676 678501933 /nfs/dbraw/zinc/50/19/33/678501933.db2.gz WJFBJSAGBVDYIB-GFCCVEGCSA-N 2 2 321.381 -1.264 20 0 DAADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428351 678518731 /nfs/dbraw/zinc/51/87/31/678518731.db2.gz HHTJAYJNDXSHJA-ZOBORPQBSA-N 2 2 315.414 -1.145 20 0 DAADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047428351 678518738 /nfs/dbraw/zinc/51/87/38/678518738.db2.gz HHTJAYJNDXSHJA-ZOBORPQBSA-N 2 2 315.414 -1.145 20 0 DAADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047428351 678518740 /nfs/dbraw/zinc/51/87/40/678518740.db2.gz HHTJAYJNDXSHJA-ZOBORPQBSA-N 2 2 315.414 -1.145 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458622 678522376 /nfs/dbraw/zinc/52/23/76/678522376.db2.gz WYLOFDDJEHATQT-AVGNSLFASA-N 2 2 323.397 -1.041 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458622 678522380 /nfs/dbraw/zinc/52/23/80/678522380.db2.gz WYLOFDDJEHATQT-AVGNSLFASA-N 2 2 323.397 -1.041 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047499347 678525702 /nfs/dbraw/zinc/52/57/02/678525702.db2.gz HGVHVRVTMSYZML-MELADBBJSA-N 2 2 315.414 -1.409 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047499347 678525706 /nfs/dbraw/zinc/52/57/06/678525706.db2.gz HGVHVRVTMSYZML-MELADBBJSA-N 2 2 315.414 -1.409 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001047499347 678525709 /nfs/dbraw/zinc/52/57/09/678525709.db2.gz HGVHVRVTMSYZML-MELADBBJSA-N 2 2 315.414 -1.409 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047499347 678525711 /nfs/dbraw/zinc/52/57/11/678525711.db2.gz HGVHVRVTMSYZML-MELADBBJSA-N 2 2 315.414 -1.409 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595416 678534272 /nfs/dbraw/zinc/53/42/72/678534272.db2.gz CNFGAMQKWIFEOY-AVGNSLFASA-N 2 2 312.414 -1.422 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595416 678534275 /nfs/dbraw/zinc/53/42/75/678534275.db2.gz CNFGAMQKWIFEOY-AVGNSLFASA-N 2 2 312.414 -1.422 20 0 DAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047595416 678534279 /nfs/dbraw/zinc/53/42/79/678534279.db2.gz CNFGAMQKWIFEOY-AVGNSLFASA-N 2 2 312.414 -1.422 20 0 DAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047595416 678534283 /nfs/dbraw/zinc/53/42/83/678534283.db2.gz CNFGAMQKWIFEOY-AVGNSLFASA-N 2 2 312.414 -1.422 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739095 678559030 /nfs/dbraw/zinc/55/90/30/678559030.db2.gz GVPNOXYWSHDPPQ-RFQIPJPRSA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739095 678559035 /nfs/dbraw/zinc/55/90/35/678559035.db2.gz GVPNOXYWSHDPPQ-RFQIPJPRSA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739095 678559041 /nfs/dbraw/zinc/55/90/41/678559041.db2.gz GVPNOXYWSHDPPQ-RFQIPJPRSA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739095 678559044 /nfs/dbraw/zinc/55/90/44/678559044.db2.gz GVPNOXYWSHDPPQ-RFQIPJPRSA-N 2 2 324.425 -1.029 20 0 DAADLP NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCO)CC1 ZINC001052990652 678592636 /nfs/dbraw/zinc/59/26/36/678592636.db2.gz JPERWVGFZMQYAY-OKILXGFUSA-N 2 2 324.425 -1.006 20 0 DAADLP NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCO)CC1 ZINC001052990652 678592638 /nfs/dbraw/zinc/59/26/38/678592638.db2.gz JPERWVGFZMQYAY-OKILXGFUSA-N 2 2 324.425 -1.006 20 0 DAADLP NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055629602 678643515 /nfs/dbraw/zinc/64/35/15/678643515.db2.gz FINQUDACQXWGHS-UHFFFAOYSA-N 2 2 322.369 -1.935 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001057633646 678733607 /nfs/dbraw/zinc/73/36/07/678733607.db2.gz PRPWMDAUYODXNL-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001057633646 678733612 /nfs/dbraw/zinc/73/36/12/678733612.db2.gz PRPWMDAUYODXNL-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001057635669 678734383 /nfs/dbraw/zinc/73/43/83/678734383.db2.gz GTSLMKORZFCLBN-LBPRGKRZSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001057635669 678734386 /nfs/dbraw/zinc/73/43/86/678734386.db2.gz GTSLMKORZFCLBN-LBPRGKRZSA-N 2 2 323.397 -1.159 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)C1=O ZINC001051884898 678778200 /nfs/dbraw/zinc/77/82/00/678778200.db2.gz VJPLNFIRZICCKV-VXGBXAGGSA-N 2 2 321.381 -1.000 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051884655 678778258 /nfs/dbraw/zinc/77/82/58/678778258.db2.gz RTKJNJGNZNMNSH-GHMZBOCLSA-N 2 2 307.354 -1.342 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051947982 678781084 /nfs/dbraw/zinc/78/10/84/678781084.db2.gz HPEPAPABDUSVQK-NWDGAFQWSA-N 2 2 307.354 -1.411 20 0 DAADLP NC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052118176 678786870 /nfs/dbraw/zinc/78/68/70/678786870.db2.gz NIHQBAOVSBHHOF-AWEZNQCLSA-N 2 2 323.441 -1.214 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070206421 678858724 /nfs/dbraw/zinc/85/87/24/678858724.db2.gz ABVWCVFBZSAYIO-OLZOCXBDSA-N 2 2 319.369 -1.032 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070206421 678858728 /nfs/dbraw/zinc/85/87/28/678858728.db2.gz ABVWCVFBZSAYIO-OLZOCXBDSA-N 2 2 319.369 -1.032 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070311327 678864481 /nfs/dbraw/zinc/86/44/81/678864481.db2.gz XWJQMXDJLLQWOY-OLZOCXBDSA-N 2 2 319.369 -1.412 20 0 DAADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070303073 678864704 /nfs/dbraw/zinc/86/47/04/678864704.db2.gz OUNKZKVOURJENX-UTUOFQBUSA-N 2 2 319.369 -1.034 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071020486 678881675 /nfs/dbraw/zinc/88/16/75/678881675.db2.gz GIPHHYXAGWNXKR-CYBMUJFWSA-N 2 2 312.414 -1.419 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCO)CC2)C1 ZINC001071020486 678881676 /nfs/dbraw/zinc/88/16/76/678881676.db2.gz GIPHHYXAGWNXKR-CYBMUJFWSA-N 2 2 312.414 -1.419 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)C1 ZINC001071020486 678881677 /nfs/dbraw/zinc/88/16/77/678881677.db2.gz GIPHHYXAGWNXKR-CYBMUJFWSA-N 2 2 312.414 -1.419 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)C1 ZINC001071020486 678881678 /nfs/dbraw/zinc/88/16/78/678881678.db2.gz GIPHHYXAGWNXKR-CYBMUJFWSA-N 2 2 312.414 -1.419 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201943858 782225207 /nfs/dbraw/zinc/22/52/07/782225207.db2.gz BBLDADLZSFTRNL-LLVKDONJSA-N 2 2 309.370 -1.047 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201857028 782221752 /nfs/dbraw/zinc/22/17/52/782221752.db2.gz RYQSNYHXECMKSF-GFCCVEGCSA-N 2 2 309.370 -1.345 20 0 DAADLP C[C@@H]([NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1)C(N)=O ZINC001202218381 782230432 /nfs/dbraw/zinc/23/04/32/782230432.db2.gz YOAVVFKMXWSKIG-NEPJUHHUSA-N 2 2 309.370 -1.036 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001274543828 782282409 /nfs/dbraw/zinc/28/24/09/782282409.db2.gz IEQMJYPPMGPGPD-IHWYPQMZSA-N 2 2 322.369 -1.190 20 0 DAADLP O=C1CO[C@]2(CC[N@@H+](C[C@H](O)CO)C2)CN1CCn1cc[nH+]c1 ZINC001274566415 782284145 /nfs/dbraw/zinc/28/41/45/782284145.db2.gz ZKEBAYXZXKBSIC-ZFWWWQNUSA-N 2 2 324.381 -1.460 20 0 DAADLP O=C1CO[C@]2(CC[N@H+](C[C@H](O)CO)C2)CN1CCn1cc[nH+]c1 ZINC001274566415 782284152 /nfs/dbraw/zinc/28/41/52/782284152.db2.gz ZKEBAYXZXKBSIC-ZFWWWQNUSA-N 2 2 324.381 -1.460 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110980970 782339506 /nfs/dbraw/zinc/33/95/06/782339506.db2.gz CYFVLGCDNNZIBA-MXWKQRLJSA-N 2 2 311.386 -1.146 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110980970 782339513 /nfs/dbraw/zinc/33/95/13/782339513.db2.gz CYFVLGCDNNZIBA-MXWKQRLJSA-N 2 2 311.386 -1.146 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627912 782407241 /nfs/dbraw/zinc/40/72/41/782407241.db2.gz ZQFDJENZOWDECI-IHRRRGAJSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627912 782407245 /nfs/dbraw/zinc/40/72/45/782407245.db2.gz ZQFDJENZOWDECI-IHRRRGAJSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627912 782407252 /nfs/dbraw/zinc/40/72/52/782407252.db2.gz ZQFDJENZOWDECI-IHRRRGAJSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001047627912 782407255 /nfs/dbraw/zinc/40/72/55/782407255.db2.gz ZQFDJENZOWDECI-IHRRRGAJSA-N 2 2 324.425 -1.326 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626377 782407555 /nfs/dbraw/zinc/40/75/55/782407555.db2.gz BINNAVYBCKKEMW-AVGNSLFASA-N 2 2 312.414 -1.150 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626377 782407559 /nfs/dbraw/zinc/40/75/59/782407559.db2.gz BINNAVYBCKKEMW-AVGNSLFASA-N 2 2 312.414 -1.150 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630636 782408447 /nfs/dbraw/zinc/40/84/47/782408447.db2.gz WCJXJVDFVLXMTI-DRZSPHRISA-N 2 2 323.397 -1.170 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630636 782408454 /nfs/dbraw/zinc/40/84/54/782408454.db2.gz WCJXJVDFVLXMTI-DRZSPHRISA-N 2 2 323.397 -1.170 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099916175 782512729 /nfs/dbraw/zinc/51/27/29/782512729.db2.gz KBNWUZADNOOSLD-QWHCGFSZSA-N 2 2 323.397 -1.121 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099916175 782512736 /nfs/dbraw/zinc/51/27/36/782512736.db2.gz KBNWUZADNOOSLD-QWHCGFSZSA-N 2 2 323.397 -1.121 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972284 782520111 /nfs/dbraw/zinc/52/01/11/782520111.db2.gz UQDURXPCSBQYPB-NWDGAFQWSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972284 782520118 /nfs/dbraw/zinc/52/01/18/782520118.db2.gz UQDURXPCSBQYPB-NWDGAFQWSA-N 2 2 312.414 -1.374 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100083321 782547368 /nfs/dbraw/zinc/54/73/68/782547368.db2.gz QFTNYSYVGGDWJI-NWDGAFQWSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100083321 782547375 /nfs/dbraw/zinc/54/73/75/782547375.db2.gz QFTNYSYVGGDWJI-NWDGAFQWSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100083321 782547384 /nfs/dbraw/zinc/54/73/84/782547384.db2.gz QFTNYSYVGGDWJI-NWDGAFQWSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100083321 782547393 /nfs/dbraw/zinc/54/73/93/782547393.db2.gz QFTNYSYVGGDWJI-NWDGAFQWSA-N 2 2 300.403 -1.245 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100077253 782548182 /nfs/dbraw/zinc/54/81/82/782548182.db2.gz ZLWYTSHIDWYVNI-GHMZBOCLSA-N 2 2 302.375 -2.399 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100077253 782548194 /nfs/dbraw/zinc/54/81/94/782548194.db2.gz ZLWYTSHIDWYVNI-GHMZBOCLSA-N 2 2 302.375 -2.399 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109857 782555981 /nfs/dbraw/zinc/55/59/81/782555981.db2.gz LOOSEYPMXRKPDW-OLZOCXBDSA-N 2 2 312.414 -1.230 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109857 782555985 /nfs/dbraw/zinc/55/59/85/782555985.db2.gz LOOSEYPMXRKPDW-OLZOCXBDSA-N 2 2 312.414 -1.230 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125222 782556919 /nfs/dbraw/zinc/55/69/19/782556919.db2.gz UVGDYDJSAIWPCF-QWHCGFSZSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125222 782556925 /nfs/dbraw/zinc/55/69/25/782556925.db2.gz UVGDYDJSAIWPCF-QWHCGFSZSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127556 782560535 /nfs/dbraw/zinc/56/05/35/782560535.db2.gz WUWRPZWCNCKYDP-QWHCGFSZSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127556 782560540 /nfs/dbraw/zinc/56/05/40/782560540.db2.gz WUWRPZWCNCKYDP-QWHCGFSZSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706755 782581062 /nfs/dbraw/zinc/58/10/62/782581062.db2.gz WSKAGOYEOSZKNN-UHFFFAOYSA-N 2 2 308.342 -1.369 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100918263 782586365 /nfs/dbraw/zinc/58/63/65/782586365.db2.gz LZGXLQAYXBDSTF-UHFFFAOYSA-N 2 2 322.369 -1.060 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071561 782590048 /nfs/dbraw/zinc/59/00/48/782590048.db2.gz NQOQMEFCNHVFHJ-UHFFFAOYSA-N 2 2 322.369 -1.177 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980044 782637229 /nfs/dbraw/zinc/63/72/29/782637229.db2.gz JWLZKZAIZSXUNX-CIQGVGRVSA-N 2 2 310.398 -1.371 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980044 782637230 /nfs/dbraw/zinc/63/72/30/782637230.db2.gz JWLZKZAIZSXUNX-CIQGVGRVSA-N 2 2 310.398 -1.371 20 0 DAADLP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)nn1 ZINC001115126516 782643543 /nfs/dbraw/zinc/64/35/43/782643543.db2.gz OYDAUENBPZPULX-NHAGDIPZSA-N 2 2 322.413 -1.060 20 0 DAADLP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)nn1 ZINC001115126516 782643547 /nfs/dbraw/zinc/64/35/47/782643547.db2.gz OYDAUENBPZPULX-NHAGDIPZSA-N 2 2 322.413 -1.060 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115153084 782643954 /nfs/dbraw/zinc/64/39/54/782643954.db2.gz ZGRNUNXZYLSWIW-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115153084 782643959 /nfs/dbraw/zinc/64/39/59/782643959.db2.gz ZGRNUNXZYLSWIW-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115153084 782643963 /nfs/dbraw/zinc/64/39/63/782643963.db2.gz ZGRNUNXZYLSWIW-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115153084 782643966 /nfs/dbraw/zinc/64/39/66/782643966.db2.gz ZGRNUNXZYLSWIW-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001115269728 782650039 /nfs/dbraw/zinc/65/00/39/782650039.db2.gz MCWFHNVJQSAMCI-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001115269728 782650042 /nfs/dbraw/zinc/65/00/42/782650042.db2.gz MCWFHNVJQSAMCI-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001115269728 782650046 /nfs/dbraw/zinc/65/00/46/782650046.db2.gz MCWFHNVJQSAMCI-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001115269728 782650050 /nfs/dbraw/zinc/65/00/50/782650050.db2.gz MCWFHNVJQSAMCI-SFDCQRBFSA-N 2 2 324.425 -1.110 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349996 775157173 /nfs/dbraw/zinc/15/71/73/775157173.db2.gz NWKHAAWHZKIOEH-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001167350200 775157268 /nfs/dbraw/zinc/15/72/68/775157268.db2.gz QCIVIIZGEHZEGD-UHFFFAOYSA-N 2 2 322.369 -1.010 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001266785705 775178705 /nfs/dbraw/zinc/17/87/05/775178705.db2.gz VYPKAVZGWKSMEX-UHFFFAOYSA-N 2 2 324.385 -1.144 20 0 DAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370364 775208191 /nfs/dbraw/zinc/20/81/91/775208191.db2.gz GOLNKKDVADQISM-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370364 775208195 /nfs/dbraw/zinc/20/81/95/775208195.db2.gz GOLNKKDVADQISM-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1)C(N)=O ZINC001105320905 775306785 /nfs/dbraw/zinc/30/67/85/775306785.db2.gz OWNITSWILGDTPN-SNVBAGLBSA-N 2 2 323.401 -1.424 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCO1 ZINC001268019017 775316609 /nfs/dbraw/zinc/31/66/09/775316609.db2.gz OKAKANUWUORUOY-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCO1 ZINC001268019017 775316620 /nfs/dbraw/zinc/31/66/20/775316620.db2.gz OKAKANUWUORUOY-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC001268019017 775316631 /nfs/dbraw/zinc/31/66/31/775316631.db2.gz OKAKANUWUORUOY-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC001268019017 775316639 /nfs/dbraw/zinc/31/66/39/775316639.db2.gz OKAKANUWUORUOY-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001149129357 775325103 /nfs/dbraw/zinc/32/51/03/775325103.db2.gz ANOREVRQRMQIMZ-UHFFFAOYSA-N 2 2 322.369 -1.092 20 0 DAADLP O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268307678 775364503 /nfs/dbraw/zinc/36/45/03/775364503.db2.gz HQQQPFNVDBIPQV-QJPTWQEYSA-N 2 2 319.369 -1.128 20 0 DAADLP O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268307678 775364516 /nfs/dbraw/zinc/36/45/16/775364516.db2.gz HQQQPFNVDBIPQV-QJPTWQEYSA-N 2 2 319.369 -1.128 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001268326002 775371032 /nfs/dbraw/zinc/37/10/32/775371032.db2.gz VLERORJZLCOQMK-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001268711515 775418685 /nfs/dbraw/zinc/41/86/85/775418685.db2.gz JNNGDRPKSHLEIU-GXSJLCMTSA-N 2 2 307.354 -1.138 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105376632 775420557 /nfs/dbraw/zinc/42/05/57/775420557.db2.gz BAYSTUYRRXWHTJ-UHFFFAOYSA-N 2 2 323.401 -1.424 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105376632 775420561 /nfs/dbraw/zinc/42/05/61/775420561.db2.gz BAYSTUYRRXWHTJ-UHFFFAOYSA-N 2 2 323.401 -1.424 20 0 DAADLP C[N@@H+]1CCO[C@]2(CCCN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269094830 775442412 /nfs/dbraw/zinc/44/24/12/775442412.db2.gz KUSVIJRACLFIOZ-OAHLLOKOSA-N 2 2 315.414 -1.404 20 0 DAADLP C[N@H+]1CCO[C@]2(CCCN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269094830 775442414 /nfs/dbraw/zinc/44/24/14/775442414.db2.gz KUSVIJRACLFIOZ-OAHLLOKOSA-N 2 2 315.414 -1.404 20 0 DAADLP C[NH+](C)CCN1CC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)OCC1=O ZINC001269568941 775471491 /nfs/dbraw/zinc/47/14/91/775471491.db2.gz HRTPHVQLINSYLR-UHFFFAOYSA-N 2 2 321.381 -1.046 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920055 775547119 /nfs/dbraw/zinc/54/71/19/775547119.db2.gz CRDXMCNOHNGBPS-AGIUHOORSA-N 2 2 310.398 -1.417 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920055 775547125 /nfs/dbraw/zinc/54/71/25/775547125.db2.gz CRDXMCNOHNGBPS-AGIUHOORSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920055 775547133 /nfs/dbraw/zinc/54/71/33/775547133.db2.gz CRDXMCNOHNGBPS-AGIUHOORSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920055 775547141 /nfs/dbraw/zinc/54/71/41/775547141.db2.gz CRDXMCNOHNGBPS-AGIUHOORSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098721455 775581590 /nfs/dbraw/zinc/58/15/90/775581590.db2.gz HWZUGFHEIFWFHR-LBPRGKRZSA-N 2 2 323.401 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001272273625 775591277 /nfs/dbraw/zinc/59/12/77/775591277.db2.gz SYAIRCHTQVVEEZ-STQMWFEESA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001272273625 775591294 /nfs/dbraw/zinc/59/12/94/775591294.db2.gz SYAIRCHTQVVEEZ-STQMWFEESA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001272273625 775591300 /nfs/dbraw/zinc/59/13/00/775591300.db2.gz SYAIRCHTQVVEEZ-STQMWFEESA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001272273625 775591313 /nfs/dbraw/zinc/59/13/13/775591313.db2.gz SYAIRCHTQVVEEZ-STQMWFEESA-N 2 2 324.425 -1.326 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)CC[NH+]2CCOCC2)n1 ZINC001168416881 775733523 /nfs/dbraw/zinc/73/35/23/775733523.db2.gz GNSRRGXDWGPLBY-UHFFFAOYSA-N 2 2 311.390 -1.472 20 0 DAADLP Cn1nnnc1C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416987 775734151 /nfs/dbraw/zinc/73/41/51/775734151.db2.gz KUPBERZBNOPNFX-UHFFFAOYSA-N 2 2 311.390 -1.472 20 0 DAADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC001272524221 775770081 /nfs/dbraw/zinc/77/00/81/775770081.db2.gz HOMFBHSPURYRJC-LBPRGKRZSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H]1CCC(=O)N1)C2 ZINC001272524220 775770556 /nfs/dbraw/zinc/77/05/56/775770556.db2.gz HOMFBHSPURYRJC-GFCCVEGCSA-N 2 2 310.398 -1.260 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001272559012 775776462 /nfs/dbraw/zinc/77/64/62/775776462.db2.gz FDKLBCHRICMPMH-CYBMUJFWSA-N 2 2 306.370 -1.074 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001272591353 775786072 /nfs/dbraw/zinc/78/60/72/775786072.db2.gz GUNCBTKDBYXZLO-VHSXEESVSA-N 2 2 309.326 -2.245 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106799168 775798697 /nfs/dbraw/zinc/79/86/97/775798697.db2.gz CZPAUTOVYBNTCL-NXEZZACHSA-N 2 2 322.369 -1.169 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)nc1=O ZINC001127474541 775807703 /nfs/dbraw/zinc/80/77/03/775807703.db2.gz NPLSVBJBYLMMKW-LLVKDONJSA-N 2 2 308.386 -1.344 20 0 DAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001107078220 775838258 /nfs/dbraw/zinc/83/82/58/775838258.db2.gz DONOGFCAUWDMMG-GHMZBOCLSA-N 2 2 322.369 -1.238 20 0 DAADLP O=C(C[NH+]1CCCC1)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107236496 775858975 /nfs/dbraw/zinc/85/89/75/775858975.db2.gz YQODKLXFWBCUCC-UHFFFAOYSA-N 2 2 308.386 -1.161 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1=O ZINC001127780082 775863820 /nfs/dbraw/zinc/86/38/20/775863820.db2.gz VROLGGVSWSIDJB-WDEREUQCSA-N 2 2 324.385 -1.823 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)nc1=O ZINC001127780082 775863827 /nfs/dbraw/zinc/86/38/27/775863827.db2.gz VROLGGVSWSIDJB-WDEREUQCSA-N 2 2 324.385 -1.823 20 0 DAADLP C[N@@H+]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069051 775977934 /nfs/dbraw/zinc/97/79/34/775977934.db2.gz FZOBJPZSSKPBGW-BBRMVZONSA-N 2 2 324.425 -1.134 20 0 DAADLP C[N@H+]1CCN(C(=O)C[NH+]2CC[C@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069051 775977942 /nfs/dbraw/zinc/97/79/42/775977942.db2.gz FZOBJPZSSKPBGW-BBRMVZONSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069051 775977947 /nfs/dbraw/zinc/97/79/47/775977947.db2.gz FZOBJPZSSKPBGW-BBRMVZONSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069051 775977953 /nfs/dbraw/zinc/97/79/53/775977953.db2.gz FZOBJPZSSKPBGW-BBRMVZONSA-N 2 2 324.425 -1.134 20 0 DAADLP CN(CC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001128967482 776038619 /nfs/dbraw/zinc/03/86/19/776038619.db2.gz SIAHBDUFHSKITA-UHFFFAOYSA-N 2 2 317.415 -1.061 20 0 DAADLP CN(CC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)S(C)(=O)=O ZINC001128967482 776038626 /nfs/dbraw/zinc/03/86/26/776038626.db2.gz SIAHBDUFHSKITA-UHFFFAOYSA-N 2 2 317.415 -1.061 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128986174 776043790 /nfs/dbraw/zinc/04/37/90/776043790.db2.gz KAGXTSIKDZBSJR-UHFFFAOYSA-N 2 2 309.370 -1.093 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353454 776104457 /nfs/dbraw/zinc/10/44/57/776104457.db2.gz DBDKEKSHJREIKH-OLZOCXBDSA-N 2 2 324.425 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353454 776104459 /nfs/dbraw/zinc/10/44/59/776104459.db2.gz DBDKEKSHJREIKH-OLZOCXBDSA-N 2 2 324.425 -1.101 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353455 776104475 /nfs/dbraw/zinc/10/44/75/776104475.db2.gz DBDKEKSHJREIKH-QWHCGFSZSA-N 2 2 324.425 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353455 776104478 /nfs/dbraw/zinc/10/44/78/776104478.db2.gz DBDKEKSHJREIKH-QWHCGFSZSA-N 2 2 324.425 -1.101 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090394069 776135415 /nfs/dbraw/zinc/13/54/15/776135415.db2.gz SMJLWSVNDPNLKV-RYUDHWBXSA-N 2 2 310.398 -1.349 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090394069 776135419 /nfs/dbraw/zinc/13/54/19/776135419.db2.gz SMJLWSVNDPNLKV-RYUDHWBXSA-N 2 2 310.398 -1.349 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090394063 776135554 /nfs/dbraw/zinc/13/55/54/776135554.db2.gz SMJLWSVNDPNLKV-NEPJUHHUSA-N 2 2 310.398 -1.349 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090394063 776135556 /nfs/dbraw/zinc/13/55/56/776135556.db2.gz SMJLWSVNDPNLKV-NEPJUHHUSA-N 2 2 310.398 -1.349 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393883 776136322 /nfs/dbraw/zinc/13/63/22/776136322.db2.gz QHURKTSHSDZWKL-QWHCGFSZSA-N 2 2 324.425 -1.088 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393883 776136333 /nfs/dbraw/zinc/13/63/33/776136333.db2.gz QHURKTSHSDZWKL-QWHCGFSZSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958502 776143452 /nfs/dbraw/zinc/14/34/52/776143452.db2.gz JMMIQJZTHLWLED-UPJWGTAASA-N 2 2 322.409 -1.478 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958502 776143460 /nfs/dbraw/zinc/14/34/60/776143460.db2.gz JMMIQJZTHLWLED-UPJWGTAASA-N 2 2 322.409 -1.478 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959603 776145938 /nfs/dbraw/zinc/14/59/38/776145938.db2.gz ZYVJNHOGIGGYMB-WOPDTQHZSA-N 2 2 310.398 -1.493 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959603 776145940 /nfs/dbraw/zinc/14/59/40/776145940.db2.gz ZYVJNHOGIGGYMB-WOPDTQHZSA-N 2 2 310.398 -1.493 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053068 776159021 /nfs/dbraw/zinc/15/90/21/776159021.db2.gz REIMSKFMANOXKH-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053068 776159026 /nfs/dbraw/zinc/15/90/26/776159026.db2.gz REIMSKFMANOXKH-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053068 776159032 /nfs/dbraw/zinc/15/90/32/776159032.db2.gz REIMSKFMANOXKH-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053068 776159037 /nfs/dbraw/zinc/15/90/37/776159037.db2.gz REIMSKFMANOXKH-MJBXVCDLSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053067 776159210 /nfs/dbraw/zinc/15/92/10/776159210.db2.gz REIMSKFMANOXKH-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053067 776159212 /nfs/dbraw/zinc/15/92/12/776159212.db2.gz REIMSKFMANOXKH-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053067 776159216 /nfs/dbraw/zinc/15/92/16/776159216.db2.gz REIMSKFMANOXKH-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)C1 ZINC001084053067 776159219 /nfs/dbraw/zinc/15/92/19/776159219.db2.gz REIMSKFMANOXKH-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001084059495 776163704 /nfs/dbraw/zinc/16/37/04/776163704.db2.gz LHVJSGSQRYURPW-UPJWGTAASA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001084059495 776163711 /nfs/dbraw/zinc/16/37/11/776163711.db2.gz LHVJSGSQRYURPW-UPJWGTAASA-N 2 2 321.381 -1.369 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084834224 776190907 /nfs/dbraw/zinc/19/09/07/776190907.db2.gz QXJTYWKYNKFTTI-BFHYXJOUSA-N 2 2 324.425 -1.027 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084834224 776190911 /nfs/dbraw/zinc/19/09/11/776190911.db2.gz QXJTYWKYNKFTTI-BFHYXJOUSA-N 2 2 324.425 -1.027 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086331800 776256955 /nfs/dbraw/zinc/25/69/55/776256955.db2.gz HQYFWZAKRDTWPJ-SRVKXCTJSA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086331800 776256957 /nfs/dbraw/zinc/25/69/57/776256957.db2.gz HQYFWZAKRDTWPJ-SRVKXCTJSA-N 2 2 323.401 -1.475 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100080199 776260354 /nfs/dbraw/zinc/26/03/54/776260354.db2.gz FUBQBJWNMMMEAT-VXGBXAGGSA-N 2 2 300.403 -1.245 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100080199 776260359 /nfs/dbraw/zinc/26/03/59/776260359.db2.gz FUBQBJWNMMMEAT-VXGBXAGGSA-N 2 2 300.403 -1.245 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074705 776260980 /nfs/dbraw/zinc/26/09/80/776260980.db2.gz RBIZNUVOVUPZDY-QWHCGFSZSA-N 2 2 324.425 -1.230 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074705 776260987 /nfs/dbraw/zinc/26/09/87/776260987.db2.gz RBIZNUVOVUPZDY-QWHCGFSZSA-N 2 2 324.425 -1.230 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229394 776286341 /nfs/dbraw/zinc/28/63/41/776286341.db2.gz YWMIBXVJLLSUED-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CCC1 ZINC001108552535 776302332 /nfs/dbraw/zinc/30/23/32/776302332.db2.gz OHBDCOMEKIGTOV-GFCCVEGCSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108567136 776306578 /nfs/dbraw/zinc/30/65/78/776306578.db2.gz WJXTUZZHGHOKTJ-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[C@@H](C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108577178 776307762 /nfs/dbraw/zinc/30/77/62/776307762.db2.gz JLCOCPMBPKQENA-AAEUAGOBSA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108587754 776308755 /nfs/dbraw/zinc/30/87/55/776308755.db2.gz WHYZOXGKUUYFLA-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108587754 776308759 /nfs/dbraw/zinc/30/87/59/776308759.db2.gz WHYZOXGKUUYFLA-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100135879 776345704 /nfs/dbraw/zinc/34/57/04/776345704.db2.gz DFIFZSROXNYRJX-CHWSQXEVSA-N 2 2 312.370 -1.557 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100135879 776345711 /nfs/dbraw/zinc/34/57/11/776345711.db2.gz DFIFZSROXNYRJX-CHWSQXEVSA-N 2 2 312.370 -1.557 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090431786 776345824 /nfs/dbraw/zinc/34/58/24/776345824.db2.gz CUIJRIXKJXQLPS-STQMWFEESA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090431786 776345832 /nfs/dbraw/zinc/34/58/32/776345832.db2.gz CUIJRIXKJXQLPS-STQMWFEESA-N 2 2 323.397 -1.169 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100135880 776347224 /nfs/dbraw/zinc/34/72/24/776347224.db2.gz DFIFZSROXNYRJX-OLZOCXBDSA-N 2 2 312.370 -1.557 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100135880 776347232 /nfs/dbraw/zinc/34/72/32/776347232.db2.gz DFIFZSROXNYRJX-OLZOCXBDSA-N 2 2 312.370 -1.557 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114090400 776447248 /nfs/dbraw/zinc/44/72/48/776447248.db2.gz DCGBTBKXPAQXER-CZXHOFHRSA-N 2 2 310.398 -1.501 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114090400 776447249 /nfs/dbraw/zinc/44/72/49/776447249.db2.gz DCGBTBKXPAQXER-CZXHOFHRSA-N 2 2 310.398 -1.501 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114090400 776447253 /nfs/dbraw/zinc/44/72/53/776447253.db2.gz DCGBTBKXPAQXER-CZXHOFHRSA-N 2 2 310.398 -1.501 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114090400 776447256 /nfs/dbraw/zinc/44/72/56/776447256.db2.gz DCGBTBKXPAQXER-CZXHOFHRSA-N 2 2 310.398 -1.501 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114090402 776447319 /nfs/dbraw/zinc/44/73/19/776447319.db2.gz DCGBTBKXPAQXER-KZVDOYCCSA-N 2 2 310.398 -1.501 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114090402 776447322 /nfs/dbraw/zinc/44/73/22/776447322.db2.gz DCGBTBKXPAQXER-KZVDOYCCSA-N 2 2 310.398 -1.501 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114090402 776447325 /nfs/dbraw/zinc/44/73/25/776447325.db2.gz DCGBTBKXPAQXER-KZVDOYCCSA-N 2 2 310.398 -1.501 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114090402 776447330 /nfs/dbraw/zinc/44/73/30/776447330.db2.gz DCGBTBKXPAQXER-KZVDOYCCSA-N 2 2 310.398 -1.501 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001129901068 776485501 /nfs/dbraw/zinc/48/55/01/776485501.db2.gz QOSZZGWMDOPNKZ-DJLDLDEBSA-N 2 2 308.342 -1.198 20 0 DAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893195 776485808 /nfs/dbraw/zinc/48/58/08/776485808.db2.gz KLPBHOWBSIEZCT-NXEZZACHSA-N 2 2 320.353 -1.229 20 0 DAADLP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893195 776485813 /nfs/dbraw/zinc/48/58/13/776485813.db2.gz KLPBHOWBSIEZCT-NXEZZACHSA-N 2 2 320.353 -1.229 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403679 776508160 /nfs/dbraw/zinc/50/81/60/776508160.db2.gz AFGKMIMJOIXGAE-CMPLNLGQSA-N 2 2 319.365 -1.044 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)NC(N)=O ZINC001130406958 776508681 /nfs/dbraw/zinc/50/86/81/776508681.db2.gz IGTRMWDHAVKGGZ-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)NC(N)=O ZINC001130406960 776510119 /nfs/dbraw/zinc/51/01/19/776510119.db2.gz IGTRMWDHAVKGGZ-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481225 776512354 /nfs/dbraw/zinc/51/23/54/776512354.db2.gz NGXJYDOOBQJMSI-WDEREUQCSA-N 2 2 319.365 -1.044 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)NC(N)=O ZINC001130484209 776513224 /nfs/dbraw/zinc/51/32/24/776513224.db2.gz HODZUTVPRKJNMN-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488684 776514638 /nfs/dbraw/zinc/51/46/38/776514638.db2.gz UPAQIUSWUSXFLS-ZYHUDNBSSA-N 2 2 319.365 -1.044 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488682 776515194 /nfs/dbraw/zinc/51/51/94/776515194.db2.gz UPAQIUSWUSXFLS-JQWIXIFHSA-N 2 2 319.365 -1.044 20 0 DAADLP O=C([C@H]1C[NH2+]CC(F)(F)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093522 776530831 /nfs/dbraw/zinc/53/08/31/776530831.db2.gz WPDUPAWQTZOOKQ-SKDRFNHKSA-N 2 2 302.325 -1.078 20 0 DAADLP NS(=O)(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(F)c1 ZINC001158209327 776556466 /nfs/dbraw/zinc/55/64/66/776556466.db2.gz QVRJVCGHTSDQSU-SSDOTTSWSA-N 2 2 315.330 -1.084 20 0 DAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520218 776575007 /nfs/dbraw/zinc/57/50/07/776575007.db2.gz VAMZBMYRSOLFDM-CVZZAPKMSA-N 2 2 321.385 -1.721 20 0 DAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520218 776575014 /nfs/dbraw/zinc/57/50/14/776575014.db2.gz VAMZBMYRSOLFDM-CVZZAPKMSA-N 2 2 321.385 -1.721 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131641872 776579285 /nfs/dbraw/zinc/57/92/85/776579285.db2.gz UXGKYARDBQMKDY-JTQLQIEISA-N 2 2 307.354 -1.136 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(=O)NC(N)=O ZINC001131656472 776580672 /nfs/dbraw/zinc/58/06/72/776580672.db2.gz PKEYDWFMFWODSL-SECBINFHSA-N 2 2 310.358 -1.358 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(=O)NC(N)=O ZINC001131656477 776580747 /nfs/dbraw/zinc/58/07/47/776580747.db2.gz PKEYDWFMFWODSL-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP CN(CC[NH2+]CCNC(=O)CCn1cc[nH+]c1)S(C)(=O)=O ZINC001132079995 776605215 /nfs/dbraw/zinc/60/52/15/776605215.db2.gz WKUMHRQFICNBIH-UHFFFAOYSA-N 2 2 317.415 -1.130 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082003 776607295 /nfs/dbraw/zinc/60/72/95/776607295.db2.gz HZEVVBGHHOXFET-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP CC[C@@H]([NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(N)=O ZINC001133254669 776662965 /nfs/dbraw/zinc/66/29/65/776662965.db2.gz FBMHVAPNZLOCND-NEPJUHHUSA-N 2 2 324.385 -1.573 20 0 DAADLP CC[C@@H]([NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(N)=O ZINC001133254669 776662977 /nfs/dbraw/zinc/66/29/77/776662977.db2.gz FBMHVAPNZLOCND-NEPJUHHUSA-N 2 2 324.385 -1.573 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC[C@@H]1CCCO1 ZINC001134407140 776702503 /nfs/dbraw/zinc/70/25/03/776702503.db2.gz STGRKKKAEDUKPC-LBPRGKRZSA-N 2 2 309.370 -1.047 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC[C@H]1CCOC1 ZINC001134396720 776703028 /nfs/dbraw/zinc/70/30/28/776703028.db2.gz DQUNQFRDEBCCRJ-LLVKDONJSA-N 2 2 309.370 -1.189 20 0 DAADLP CN1CCN(c2cc(N[C@H]3C[NH2+]C[C@@H]3CO)nc[nH+]2)CC1=O ZINC001170781325 776730134 /nfs/dbraw/zinc/73/01/34/776730134.db2.gz WVFBFZBKCDBTCM-MNOVXSKESA-N 2 2 306.370 -1.253 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135071553 776734894 /nfs/dbraw/zinc/73/48/94/776734894.db2.gz HMJLYGSBOFIUBW-RKDXNWHRSA-N 2 2 310.358 -1.123 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135071553 776734903 /nfs/dbraw/zinc/73/49/03/776734903.db2.gz HMJLYGSBOFIUBW-RKDXNWHRSA-N 2 2 310.358 -1.123 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001135071551 776735746 /nfs/dbraw/zinc/73/57/46/776735746.db2.gz HMJLYGSBOFIUBW-DTWKUNHWSA-N 2 2 310.358 -1.123 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001135071551 776735748 /nfs/dbraw/zinc/73/57/48/776735748.db2.gz HMJLYGSBOFIUBW-DTWKUNHWSA-N 2 2 310.358 -1.123 20 0 DAADLP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001135757903 776768677 /nfs/dbraw/zinc/76/86/77/776768677.db2.gz TZWCUVMFFQUUNV-NSHDSACASA-N 2 2 309.370 -1.095 20 0 DAADLP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755913 776768754 /nfs/dbraw/zinc/76/87/54/776768754.db2.gz UDJDNMIPFVUEMX-UHFFFAOYSA-N 2 2 310.358 -1.106 20 0 DAADLP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757579 776768956 /nfs/dbraw/zinc/76/89/56/776768956.db2.gz GJXMMKUBKOCKFF-UHFFFAOYSA-N 2 2 317.415 -1.061 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC[C@@H]1CCCO1 ZINC001135754608 776769252 /nfs/dbraw/zinc/76/92/52/776769252.db2.gz DYPGKDCLCMDCLY-NSHDSACASA-N 2 2 309.370 -1.047 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540635 776789485 /nfs/dbraw/zinc/78/94/85/776789485.db2.gz QIUBBJILOWRQKX-STQMWFEESA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540635 776789491 /nfs/dbraw/zinc/78/94/91/776789491.db2.gz QIUBBJILOWRQKX-STQMWFEESA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729880 776833404 /nfs/dbraw/zinc/83/34/04/776833404.db2.gz BOEHFQZYLIIBIA-VXGBXAGGSA-N 2 2 310.398 -1.620 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729880 776833412 /nfs/dbraw/zinc/83/34/12/776833412.db2.gz BOEHFQZYLIIBIA-VXGBXAGGSA-N 2 2 310.398 -1.620 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090809581 776853075 /nfs/dbraw/zinc/85/30/75/776853075.db2.gz UPDWDMVMYBLRSW-OLZOCXBDSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090809581 776853081 /nfs/dbraw/zinc/85/30/81/776853081.db2.gz UPDWDMVMYBLRSW-OLZOCXBDSA-N 2 2 323.397 -1.169 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090811510 776853284 /nfs/dbraw/zinc/85/32/84/776853284.db2.gz CABIXPKDQMVWQY-KGLIPLIRSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090811510 776853296 /nfs/dbraw/zinc/85/32/96/776853296.db2.gz CABIXPKDQMVWQY-KGLIPLIRSA-N 2 2 324.425 -1.134 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090809588 776853893 /nfs/dbraw/zinc/85/38/93/776853893.db2.gz UPDWDMVMYBLRSW-QWHCGFSZSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090809588 776853902 /nfs/dbraw/zinc/85/39/02/776853902.db2.gz UPDWDMVMYBLRSW-QWHCGFSZSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090809594 776854496 /nfs/dbraw/zinc/85/44/96/776854496.db2.gz UPDWDMVMYBLRSW-STQMWFEESA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090809594 776854502 /nfs/dbraw/zinc/85/45/02/776854502.db2.gz UPDWDMVMYBLRSW-STQMWFEESA-N 2 2 323.397 -1.169 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001090819127 776857244 /nfs/dbraw/zinc/85/72/44/776857244.db2.gz ZLIYOUXEWUAOKC-UONOGXRCSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001090819127 776857252 /nfs/dbraw/zinc/85/72/52/776857252.db2.gz ZLIYOUXEWUAOKC-UONOGXRCSA-N 2 2 324.425 -1.088 20 0 DAADLP CC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001294658252 777986538 /nfs/dbraw/zinc/98/65/38/777986538.db2.gz CGRLQEWUYYKAQW-AWEZNQCLSA-N 2 2 312.414 -1.013 20 0 DAADLP CC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001294658252 777986540 /nfs/dbraw/zinc/98/65/40/777986540.db2.gz CGRLQEWUYYKAQW-AWEZNQCLSA-N 2 2 312.414 -1.013 20 0 DAADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)n1C ZINC001125213635 779608389 /nfs/dbraw/zinc/60/83/89/779608389.db2.gz JLLPWQPRJCUISB-LLVKDONJSA-N 2 2 310.402 -1.086 20 0 DAADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1C ZINC001125213635 779608394 /nfs/dbraw/zinc/60/83/94/779608394.db2.gz JLLPWQPRJCUISB-LLVKDONJSA-N 2 2 310.402 -1.086 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001125227026 779609827 /nfs/dbraw/zinc/60/98/27/779609827.db2.gz KSYDCVPYWUCCST-SNVBAGLBSA-N 2 2 311.342 -1.351 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001125227026 779609835 /nfs/dbraw/zinc/60/98/35/779609835.db2.gz KSYDCVPYWUCCST-SNVBAGLBSA-N 2 2 311.342 -1.351 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209651 779617217 /nfs/dbraw/zinc/61/72/17/779617217.db2.gz UAJGMZBUGKOESE-SNVBAGLBSA-N 2 2 322.369 -1.264 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001151736894 779682682 /nfs/dbraw/zinc/68/26/82/779682682.db2.gz AKIQJKVOIYWSET-QWRGUYRKSA-N 2 2 311.390 -1.302 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001151736894 779682684 /nfs/dbraw/zinc/68/26/84/779682684.db2.gz AKIQJKVOIYWSET-QWRGUYRKSA-N 2 2 311.390 -1.302 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151748548 779684028 /nfs/dbraw/zinc/68/40/28/779684028.db2.gz GWBIGWMOUDREKP-LBPRGKRZSA-N 2 2 323.401 -1.066 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151748548 779684029 /nfs/dbraw/zinc/68/40/29/779684029.db2.gz GWBIGWMOUDREKP-LBPRGKRZSA-N 2 2 323.401 -1.066 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153351650 779702636 /nfs/dbraw/zinc/70/26/36/779702636.db2.gz XKXUNDWAXZULPD-UHFFFAOYSA-N 2 2 317.415 -1.082 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001153495894 779705129 /nfs/dbraw/zinc/70/51/29/779705129.db2.gz QQUAFADGFNWILL-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CC[NH2+]CC1 ZINC001157083891 779748532 /nfs/dbraw/zinc/74/85/32/779748532.db2.gz WMVWLHKYFKRWDQ-LBPRGKRZSA-N 2 2 309.370 -1.095 20 0 DAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CC[NH2+]CC1 ZINC001157083891 779748535 /nfs/dbraw/zinc/74/85/35/779748535.db2.gz WMVWLHKYFKRWDQ-LBPRGKRZSA-N 2 2 309.370 -1.095 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001158006008 779763928 /nfs/dbraw/zinc/76/39/28/779763928.db2.gz HBHMPURSFWHRDJ-WDEREUQCSA-N 2 2 312.370 -1.782 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC001158013965 779764019 /nfs/dbraw/zinc/76/40/19/779764019.db2.gz HSEYEKLJVKWUSC-GFCCVEGCSA-N 2 2 307.354 -1.037 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001157998935 779764669 /nfs/dbraw/zinc/76/46/69/779764669.db2.gz KVDXUNLWPXVBGV-ONGXEEELSA-N 2 2 310.354 -2.172 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102584 779767038 /nfs/dbraw/zinc/76/70/38/779767038.db2.gz UJNZOZLGQRKQJI-SWLSCSKDSA-N 3 2 324.429 -2.573 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC001158101221 779767339 /nfs/dbraw/zinc/76/73/39/779767339.db2.gz HTNZYMQJZAMELV-PGUXBMHVSA-N 2 2 324.381 -1.782 20 0 DAADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC001158101220 779767544 /nfs/dbraw/zinc/76/75/44/779767544.db2.gz HTNZYMQJZAMELV-JRPNMDOOSA-N 2 2 324.381 -1.782 20 0 DAADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111603 779767951 /nfs/dbraw/zinc/76/79/51/779767951.db2.gz PBBXVABUSIIYAM-AWEZNQCLSA-N 2 2 304.354 -1.641 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)N1CCO[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]C2 ZINC001158166587 779769159 /nfs/dbraw/zinc/76/91/59/779769159.db2.gz AFUJUCYEVKODNL-NQBHXWOUSA-N 2 2 320.397 -1.068 20 0 DAADLP [NH3+]C1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]CC1 ZINC001158121032 779769839 /nfs/dbraw/zinc/76/98/39/779769839.db2.gz RFPVMZSGIGZYJY-CQSZACIVSA-N 3 2 307.398 -1.995 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120649 779769883 /nfs/dbraw/zinc/76/98/83/779769883.db2.gz PBAAAHMQHWORSQ-XPTSAGLGSA-N 2 2 310.354 -2.185 20 0 DAADLP [NH3+]C1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]CC1 ZINC001158121031 779769932 /nfs/dbraw/zinc/76/99/32/779769932.db2.gz RFPVMZSGIGZYJY-AWEZNQCLSA-N 3 2 307.398 -1.995 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001158235925 779772254 /nfs/dbraw/zinc/77/22/54/779772254.db2.gz UJNXDLHAYCKJON-CHIMOYNISA-N 2 2 308.338 -1.073 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001158235439 779773042 /nfs/dbraw/zinc/77/30/42/779773042.db2.gz KITFUOVWQPWOEX-FDRIWYBQSA-N 2 2 309.366 -1.414 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001158235440 779773115 /nfs/dbraw/zinc/77/31/15/779773115.db2.gz KITFUOVWQPWOEX-GVARAGBVSA-N 2 2 309.366 -1.414 20 0 DAADLP O=C(N1CCC2(CC1)COCC(=O)N2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158327098 779774031 /nfs/dbraw/zinc/77/40/31/779774031.db2.gz RBXJVIXVYKYXBL-ABAIWWIYSA-N 2 2 308.382 -1.555 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001158499147 779776338 /nfs/dbraw/zinc/77/63/38/779776338.db2.gz XFTPCNOSRLHYIL-SDDRHHMPSA-N 3 2 310.398 -1.181 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532643 779776360 /nfs/dbraw/zinc/77/63/60/779776360.db2.gz CZEFATZWMSMULY-ORXSELOVSA-N 2 2 307.358 -1.951 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]([NH3+])C(=O)OC ZINC001158496691 779776994 /nfs/dbraw/zinc/77/69/94/779776994.db2.gz YINRREMDOFLZMQ-XWLWVQCSSA-N 2 2 313.354 -1.371 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158487217 779777224 /nfs/dbraw/zinc/77/72/24/779777224.db2.gz WVWFGOZAYAYMCX-VXGBXAGGSA-N 2 2 323.401 -1.331 20 0 DAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158487217 779777227 /nfs/dbraw/zinc/77/72/27/779777227.db2.gz WVWFGOZAYAYMCX-VXGBXAGGSA-N 2 2 323.401 -1.331 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535622 779778113 /nfs/dbraw/zinc/77/81/13/779778113.db2.gz YDZYOXUVPQXNDI-YWPYICTPSA-N 2 2 308.382 -1.602 20 0 DAADLP [NH3+]C[C@H](O)CC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515672 779794242 /nfs/dbraw/zinc/79/42/42/779794242.db2.gz WPZOCQKTMPMXKR-LLVKDONJSA-N 2 2 319.369 -1.035 20 0 DAADLP [NH3+]C[C@@H](O)CC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515673 779794471 /nfs/dbraw/zinc/79/44/71/779794471.db2.gz WPZOCQKTMPMXKR-NSHDSACASA-N 2 2 319.369 -1.035 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159537252 779794565 /nfs/dbraw/zinc/79/45/65/779794565.db2.gz RJMYOSVJKSIYHS-UHFFFAOYSA-N 2 2 322.369 -1.010 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159537252 779794572 /nfs/dbraw/zinc/79/45/72/779794572.db2.gz RJMYOSVJKSIYHS-UHFFFAOYSA-N 2 2 322.369 -1.010 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159600597 779795327 /nfs/dbraw/zinc/79/53/27/779795327.db2.gz VFKZYIGGZMWTGC-MEBFFEOJSA-N 2 2 322.409 -1.325 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001159725385 779795414 /nfs/dbraw/zinc/79/54/14/779795414.db2.gz IBROSHYIFFINOI-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCCC2=CC[NH+](CC(N)=O)CC2)C1 ZINC001159725385 779795425 /nfs/dbraw/zinc/79/54/25/779795425.db2.gz IBROSHYIFFINOI-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001159725385 779795432 /nfs/dbraw/zinc/79/54/32/779795432.db2.gz IBROSHYIFFINOI-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001159725385 779795438 /nfs/dbraw/zinc/79/54/38/779795438.db2.gz IBROSHYIFFINOI-ZDUSSCGKSA-N 2 2 310.398 -1.059 20 0 DAADLP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001160171473 779801630 /nfs/dbraw/zinc/80/16/30/779801630.db2.gz MAAMSZSNKFEEKN-AWEZNQCLSA-N 2 2 323.397 -1.983 20 0 DAADLP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]([NH3+])C[NH2+]4)C[C@@H]3C2=O)cn1 ZINC001160216772 779803906 /nfs/dbraw/zinc/80/39/06/779803906.db2.gz HFJABHMRGPFFIJ-LFSVMHDDSA-N 2 2 318.381 -1.470 20 0 DAADLP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CCO2 ZINC001160180558 779804069 /nfs/dbraw/zinc/80/40/69/779804069.db2.gz VLKHQLMKNZGIJD-KCQAQPDRSA-N 2 2 310.398 -1.085 20 0 DAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160492027 779807600 /nfs/dbraw/zinc/80/76/00/779807600.db2.gz CPVVSOATBHOJQD-AZQAYCESSA-N 2 2 317.367 -1.708 20 0 DAADLP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160492037 779807933 /nfs/dbraw/zinc/80/79/33/779807933.db2.gz CPVVSOATBHOJQD-JIOCBJNQSA-N 2 2 317.367 -1.708 20 0 DAADLP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160494755 779809618 /nfs/dbraw/zinc/80/96/18/779809618.db2.gz VDWKPENVRLCGIH-GHCJXIJMSA-N 2 2 317.367 -1.851 20 0 DAADLP CN1CCN(C2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C2)CC1=O ZINC001160634532 779811917 /nfs/dbraw/zinc/81/19/17/779811917.db2.gz CKOHJZZVHMEFGL-GFCCVEGCSA-N 2 2 306.370 -1.736 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636232 779812999 /nfs/dbraw/zinc/81/29/99/779812999.db2.gz HXKQJKKMVUAUQI-ZDUSSCGKSA-N 2 2 324.429 -2.621 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(OCC(=O)NC3CC3)CC2)C1 ZINC001160742857 779816259 /nfs/dbraw/zinc/81/62/59/779816259.db2.gz RCDPQSMNCBQDHC-MFKMUULPSA-N 2 2 310.398 -1.038 20 0 DAADLP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160823003 779820497 /nfs/dbraw/zinc/82/04/97/779820497.db2.gz BPBDTHYKVIRYGP-JBLDHEPKSA-N 2 2 307.354 -1.055 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)O1 ZINC001160862432 779821963 /nfs/dbraw/zinc/82/19/63/779821963.db2.gz PPZKEVXDPXKCDN-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)O1 ZINC001160862432 779821971 /nfs/dbraw/zinc/82/19/71/779821971.db2.gz PPZKEVXDPXKCDN-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN(c2ncc(O)cn2)CC1 ZINC001161082189 779826574 /nfs/dbraw/zinc/82/65/74/779826574.db2.gz MOSNWDVDNSDEDN-WCFLWFBJSA-N 2 2 318.381 -1.219 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161138532 779827473 /nfs/dbraw/zinc/82/74/73/779827473.db2.gz UVBACQYDALKXQF-IAQYHMDHSA-N 3 2 310.398 -1.037 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001161138783 779827586 /nfs/dbraw/zinc/82/75/86/779827586.db2.gz ZDOWTQKAIAJZFQ-PELKAZGASA-N 2 2 301.347 -2.135 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001161138410 779827654 /nfs/dbraw/zinc/82/76/54/779827654.db2.gz UNXCHWDNWBTFBW-IINYFYTJSA-N 2 2 307.354 -1.295 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001161138198 779827977 /nfs/dbraw/zinc/82/79/77/779827977.db2.gz PEWDTGUFNVSHNV-HZMBPMFUSA-N 2 2 312.370 -1.571 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001161138412 779828077 /nfs/dbraw/zinc/82/80/77/779828077.db2.gz UNXCHWDNWBTFBW-YGRLFVJLSA-N 2 2 307.354 -1.295 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC001161138461 779828446 /nfs/dbraw/zinc/82/84/46/779828446.db2.gz ATODSQKQXLCEOF-CHIMOYNISA-N 2 2 314.386 -1.421 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001161139609 779828591 /nfs/dbraw/zinc/82/85/91/779828591.db2.gz YONZBYMVVNRLAQ-YVZVNANGSA-N 2 2 302.331 -3.087 20 0 DAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001161263752 779831972 /nfs/dbraw/zinc/83/19/72/779831972.db2.gz DCTQHBWDCOEQCV-ONGXEEELSA-N 2 2 304.416 -1.394 20 0 DAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001161263751 779832796 /nfs/dbraw/zinc/83/27/96/779832796.db2.gz DCTQHBWDCOEQCV-KOLCDFICSA-N 2 2 304.416 -1.394 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCN1C(C)=O ZINC001161295111 779833116 /nfs/dbraw/zinc/83/31/16/779833116.db2.gz GCPGMFHOTRVUPG-HUBLWGQQSA-N 2 2 324.381 -1.830 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161314796 779834446 /nfs/dbraw/zinc/83/44/46/779834446.db2.gz KDHTUQIXLTYCNY-SNVBAGLBSA-N 2 2 322.369 -1.264 20 0 DAADLP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@@H]1CCC[NH2+]C1 ZINC001161443600 779837098 /nfs/dbraw/zinc/83/70/98/779837098.db2.gz ZGMADGHVIRDJSU-MNOVXSKESA-N 3 2 310.406 -1.788 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001161477467 779838373 /nfs/dbraw/zinc/83/83/73/779838373.db2.gz IVIAIXHHUZROJP-RWEMILLDSA-N 2 2 323.357 -2.177 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001161477442 779838396 /nfs/dbraw/zinc/83/83/96/779838396.db2.gz IHSMNGPPKRVUKI-BXUZGUMPSA-N 3 2 310.398 -1.179 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161477005 779838614 /nfs/dbraw/zinc/83/86/14/779838614.db2.gz GCAOQCJPUONXGK-RBZYPMLTSA-N 2 2 313.354 -1.370 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001161479122 779838881 /nfs/dbraw/zinc/83/88/81/779838881.db2.gz OEZZSEQOHZLRTD-ABAIWWIYSA-N 2 2 324.381 -1.828 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)N1C[C@@H]([NH3+])C3(COC3)C1)C[NH2+]C2 ZINC001161499792 779840072 /nfs/dbraw/zinc/84/00/72/779840072.db2.gz IISGGADKNSDBFB-GXSJLCMTSA-N 2 2 306.370 -1.329 20 0 DAADLP COCCOC1CN(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001161572537 779843954 /nfs/dbraw/zinc/84/39/54/779843954.db2.gz RZPQYENVXKWRSV-ZDUSSCGKSA-N 2 2 300.403 -1.389 20 0 DAADLP NS(=O)(=O)c1ccc(NCC[NH+]2CCC([NH3+])CC2)nn1 ZINC001161873113 779846303 /nfs/dbraw/zinc/84/63/03/779846303.db2.gz WWHVLFUKHSUVJS-UHFFFAOYSA-N 2 2 300.388 -1.041 20 0 DAADLP C[NH+]1CCN(c2ccc(N3CC[NH2+][C@@H](C(N)=O)C3)nn2)CC1 ZINC001165073058 779881226 /nfs/dbraw/zinc/88/12/26/779881226.db2.gz UWNLEKPZMWPFSY-LLVKDONJSA-N 2 2 305.386 -1.508 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C[C@@H](C)O ZINC001165731708 779887413 /nfs/dbraw/zinc/88/74/13/779887413.db2.gz PABRFBRTAMZASI-MFKMUULPSA-N 2 2 311.386 -1.066 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C[C@@H](C)O ZINC001165731708 779887423 /nfs/dbraw/zinc/88/74/23/779887423.db2.gz PABRFBRTAMZASI-MFKMUULPSA-N 2 2 311.386 -1.066 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001165731422 779887506 /nfs/dbraw/zinc/88/75/06/779887506.db2.gz AZNUYLQTQTZLPQ-CABZTGNLSA-N 2 2 324.385 -1.573 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001165731422 779887513 /nfs/dbraw/zinc/88/75/13/779887513.db2.gz AZNUYLQTQTZLPQ-CABZTGNLSA-N 2 2 324.385 -1.573 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305679 779961536 /nfs/dbraw/zinc/96/15/36/779961536.db2.gz ZEKTYAYJAZRDEQ-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376822 779977351 /nfs/dbraw/zinc/97/73/51/779977351.db2.gz IZXTYTRNICTBEB-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376822 779977357 /nfs/dbraw/zinc/97/73/57/779977357.db2.gz IZXTYTRNICTBEB-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927372 779986441 /nfs/dbraw/zinc/98/64/41/779986441.db2.gz GDVBWMUIYAXPOB-VXGBXAGGSA-N 2 2 300.403 -1.112 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927372 779986449 /nfs/dbraw/zinc/98/64/49/779986449.db2.gz GDVBWMUIYAXPOB-VXGBXAGGSA-N 2 2 300.403 -1.112 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927372 779986454 /nfs/dbraw/zinc/98/64/54/779986454.db2.gz GDVBWMUIYAXPOB-VXGBXAGGSA-N 2 2 300.403 -1.112 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927372 779986465 /nfs/dbraw/zinc/98/64/65/779986465.db2.gz GDVBWMUIYAXPOB-VXGBXAGGSA-N 2 2 300.403 -1.112 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215681439 780009242 /nfs/dbraw/zinc/00/92/42/780009242.db2.gz ZOYMNVMWXFNVCN-MWLCHTKSSA-N 2 2 322.369 -1.156 20 0 DAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)NC(N)=O ZINC001216064822 780012774 /nfs/dbraw/zinc/01/27/74/780012774.db2.gz HBFFANKNNDLKLP-KXUCPTDWSA-N 2 2 322.369 -1.028 20 0 DAADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)NC(N)=O ZINC001217009634 780016130 /nfs/dbraw/zinc/01/61/30/780016130.db2.gz CMWBNGPWMZHYFZ-GMTAPVOTSA-N 2 2 322.369 -1.097 20 0 DAADLP COC(=O)[C@@H]1C[C@H](OCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001217822870 780026779 /nfs/dbraw/zinc/02/67/79/780026779.db2.gz YWFAZMRTGSTQCP-STQMWFEESA-N 2 2 320.386 -1.085 20 0 DAADLP COC(=O)[C@H]1[NH2+]CC[C@H]1OCCOCCOCCOCC[NH3+] ZINC001217889041 780027567 /nfs/dbraw/zinc/02/75/67/780027567.db2.gz KLPKKCLGAOMWKL-OLZOCXBDSA-N 2 2 320.386 -1.085 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532680 780032740 /nfs/dbraw/zinc/03/27/40/780032740.db2.gz IHHWUJMUIBZTEZ-WDSKDSINSA-N 2 2 308.371 -1.019 20 0 DAADLP Nc1cn(C(=O)[C@@H]2COC[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218622446 780037500 /nfs/dbraw/zinc/03/75/00/780037500.db2.gz RVMFDEOKBHTVGB-AWEZNQCLSA-N 2 2 321.381 -1.111 20 0 DAADLP N[C@@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC001218668895 780038924 /nfs/dbraw/zinc/03/89/24/780038924.db2.gz KCWOYPTWHXONIN-AWEZNQCLSA-N 2 2 308.386 -1.155 20 0 DAADLP CCN=c1ncc(N)cn1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218739536 780041672 /nfs/dbraw/zinc/04/16/72/780041672.db2.gz FAJQABJJZGYEHY-GFCCVEGCSA-N 2 2 307.402 -1.224 20 0 DAADLP CCN=c1ncc(N)cn1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218739536 780041679 /nfs/dbraw/zinc/04/16/79/780041679.db2.gz FAJQABJJZGYEHY-GFCCVEGCSA-N 2 2 307.402 -1.224 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219358022 780084283 /nfs/dbraw/zinc/08/42/83/780084283.db2.gz TYZYCLFYZJYHKJ-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219358022 780084289 /nfs/dbraw/zinc/08/42/89/780084289.db2.gz TYZYCLFYZJYHKJ-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219358022 780084294 /nfs/dbraw/zinc/08/42/94/780084294.db2.gz TYZYCLFYZJYHKJ-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219358022 780084300 /nfs/dbraw/zinc/08/43/00/780084300.db2.gz TYZYCLFYZJYHKJ-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357831 780084716 /nfs/dbraw/zinc/08/47/16/780084716.db2.gz MOEHVVNKBKQUAT-RDBSUJKOSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357831 780084726 /nfs/dbraw/zinc/08/47/26/780084726.db2.gz MOEHVVNKBKQUAT-RDBSUJKOSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357831 780084739 /nfs/dbraw/zinc/08/47/39/780084739.db2.gz MOEHVVNKBKQUAT-RDBSUJKOSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357831 780084747 /nfs/dbraw/zinc/08/47/47/780084747.db2.gz MOEHVVNKBKQUAT-RDBSUJKOSA-N 2 2 324.425 -1.232 20 0 DAADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411685 780093827 /nfs/dbraw/zinc/09/38/27/780093827.db2.gz SYOBMTSPDIVTRH-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411685 780093830 /nfs/dbraw/zinc/09/38/30/780093830.db2.gz SYOBMTSPDIVTRH-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411685 780093835 /nfs/dbraw/zinc/09/38/35/780093835.db2.gz SYOBMTSPDIVTRH-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411685 780093842 /nfs/dbraw/zinc/09/38/42/780093842.db2.gz SYOBMTSPDIVTRH-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1[NH2+]CCS1 ZINC001219676761 780132288 /nfs/dbraw/zinc/13/22/88/780132288.db2.gz WOKLIXLHRAWIIJ-SNVBAGLBSA-N 2 2 308.429 -2.000 20 0 DAADLP Nc1cc[nH+]cc1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219680335 780134647 /nfs/dbraw/zinc/13/46/47/780134647.db2.gz CTRSCICYLUQVCU-UHFFFAOYSA-N 2 2 313.383 -1.541 20 0 DAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1COCC[NH2+]1 ZINC001219678342 780134793 /nfs/dbraw/zinc/13/47/93/780134793.db2.gz LGPUZWHYGTYMGQ-JTQLQIEISA-N 2 2 306.388 -2.674 20 0 DAADLP CN(C(=O)CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001219692500 780135527 /nfs/dbraw/zinc/13/55/27/780135527.db2.gz BQYXATKHGYGHFC-ZDUSSCGKSA-N 2 2 311.430 -1.136 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219695741 780136422 /nfs/dbraw/zinc/13/64/22/780136422.db2.gz XMIYEZXVERXEJC-GVXVVHGQSA-N 2 2 300.403 -1.077 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219695741 780136426 /nfs/dbraw/zinc/13/64/26/780136426.db2.gz XMIYEZXVERXEJC-GVXVVHGQSA-N 2 2 300.403 -1.077 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)NC[C@@H]1CC3(C[NH2+]C3)CO1)C[NH2+]C2 ZINC001219737434 780138744 /nfs/dbraw/zinc/13/87/44/780138744.db2.gz VYBDAZSZMATHAK-WDEREUQCSA-N 2 2 320.397 -1.021 20 0 DAADLP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219750201 780142912 /nfs/dbraw/zinc/14/29/12/780142912.db2.gz XGVRGOXWXTWTKX-IINYFYTJSA-N 3 2 305.386 -1.661 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219787699 780145891 /nfs/dbraw/zinc/14/58/91/780145891.db2.gz JKCCAZRUAFETDL-PWSUYJOCSA-N 2 2 318.385 -1.203 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CCC1 ZINC001219802217 780148373 /nfs/dbraw/zinc/14/83/73/780148373.db2.gz IOWHHWUQQPRSAA-AGIUHOORSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CCC1 ZINC001219802217 780148375 /nfs/dbraw/zinc/14/83/75/780148375.db2.gz IOWHHWUQQPRSAA-AGIUHOORSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219800723 780148451 /nfs/dbraw/zinc/14/84/51/780148451.db2.gz VHEIXZJJNMVMFZ-AGIUHOORSA-N 2 2 311.386 -2.033 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219800723 780148457 /nfs/dbraw/zinc/14/84/57/780148457.db2.gz VHEIXZJJNMVMFZ-AGIUHOORSA-N 2 2 311.386 -2.033 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219800724 780148593 /nfs/dbraw/zinc/14/85/93/780148593.db2.gz VHEIXZJJNMVMFZ-UPJWGTAASA-N 2 2 311.386 -2.033 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219800724 780148600 /nfs/dbraw/zinc/14/86/00/780148600.db2.gz VHEIXZJJNMVMFZ-UPJWGTAASA-N 2 2 311.386 -2.033 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219798728 780148803 /nfs/dbraw/zinc/14/88/03/780148803.db2.gz RJMDANQGRJWPEB-AGIUHOORSA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)C1=O ZINC001219798728 780148807 /nfs/dbraw/zinc/14/88/07/780148807.db2.gz RJMDANQGRJWPEB-AGIUHOORSA-N 2 2 324.425 -1.137 20 0 DAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+]CCO1 ZINC001219806391 780150635 /nfs/dbraw/zinc/15/06/35/780150635.db2.gz UURRZFATWBYVSU-LLVKDONJSA-N 2 2 307.354 -1.659 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816059 780152033 /nfs/dbraw/zinc/15/20/33/780152033.db2.gz WUVYOCYZMYJLOO-UPJWGTAASA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816059 780152035 /nfs/dbraw/zinc/15/20/35/780152035.db2.gz WUVYOCYZMYJLOO-UPJWGTAASA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816059 780152037 /nfs/dbraw/zinc/15/20/37/780152037.db2.gz WUVYOCYZMYJLOO-UPJWGTAASA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816059 780152041 /nfs/dbraw/zinc/15/20/41/780152041.db2.gz WUVYOCYZMYJLOO-UPJWGTAASA-N 2 2 312.414 -1.104 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831333 780153399 /nfs/dbraw/zinc/15/33/99/780153399.db2.gz GXSZPBMYLXIWRL-ZZVYKPCYSA-N 3 2 311.430 -1.770 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833348 780153835 /nfs/dbraw/zinc/15/38/35/780153835.db2.gz CCQDRARTRBEHJU-UXIGCNINSA-N 3 2 323.397 -1.209 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219879395 780158782 /nfs/dbraw/zinc/15/87/82/780158782.db2.gz JNFYYKVBEWIYOE-RDBSUJKOSA-N 2 2 315.414 -1.359 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219879395 780158785 /nfs/dbraw/zinc/15/87/85/780158785.db2.gz JNFYYKVBEWIYOE-RDBSUJKOSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219879395 780158786 /nfs/dbraw/zinc/15/87/86/780158786.db2.gz JNFYYKVBEWIYOE-RDBSUJKOSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219879395 780158788 /nfs/dbraw/zinc/15/87/88/780158788.db2.gz JNFYYKVBEWIYOE-RDBSUJKOSA-N 2 2 315.414 -1.359 20 0 DAADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867884 780159687 /nfs/dbraw/zinc/15/96/87/780159687.db2.gz UBXNZFHJDRZDRC-YIYPIFLZSA-N 2 2 315.414 -1.097 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867884 780159690 /nfs/dbraw/zinc/15/96/90/780159690.db2.gz UBXNZFHJDRZDRC-YIYPIFLZSA-N 2 2 315.414 -1.097 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867884 780159695 /nfs/dbraw/zinc/15/96/95/780159695.db2.gz UBXNZFHJDRZDRC-YIYPIFLZSA-N 2 2 315.414 -1.097 20 0 DAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867884 780159698 /nfs/dbraw/zinc/15/96/98/780159698.db2.gz UBXNZFHJDRZDRC-YIYPIFLZSA-N 2 2 315.414 -1.097 20 0 DAADLP Cc1c[nH]c(CCNC(=O)CN(CC[NH3+])S(C)(=O)=O)[nH+]1 ZINC001219951776 780166416 /nfs/dbraw/zinc/16/64/16/780166416.db2.gz ARDKIRQDHFOFDA-UHFFFAOYSA-N 2 2 303.388 -1.403 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[NH2+]1 ZINC001219968009 780167312 /nfs/dbraw/zinc/16/73/12/780167312.db2.gz RXNWCKUJDBVABH-KZVJFYERSA-N 2 2 302.331 -3.170 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCNC(C)=O)C[NH2+]1 ZINC001219967783 780167683 /nfs/dbraw/zinc/16/76/83/780167683.db2.gz JROGSVJIIRHHAK-WOPDTQHZSA-N 2 2 314.386 -1.360 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969478 780167716 /nfs/dbraw/zinc/16/77/16/780167716.db2.gz BIAZAGFQERVWSZ-JQWIXIFHSA-N 2 2 310.402 -1.635 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=O)C[NH2+]1 ZINC001219965470 780167884 /nfs/dbraw/zinc/16/78/84/780167884.db2.gz OSWGCOWUCPVSCE-VGMNWLOBSA-N 2 2 301.347 -2.218 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103914 780178146 /nfs/dbraw/zinc/17/81/46/780178146.db2.gz OMHYBZISRRILGA-UPJWGTAASA-N 2 2 312.370 -1.558 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103914 780178153 /nfs/dbraw/zinc/17/81/53/780178153.db2.gz OMHYBZISRRILGA-UPJWGTAASA-N 2 2 312.370 -1.558 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001220137909 780185167 /nfs/dbraw/zinc/18/51/67/780185167.db2.gz LOUREXUBPIMHJN-LOWDOPEQSA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001220137909 780185170 /nfs/dbraw/zinc/18/51/70/780185170.db2.gz LOUREXUBPIMHJN-LOWDOPEQSA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001220137909 780185175 /nfs/dbraw/zinc/18/51/75/780185175.db2.gz LOUREXUBPIMHJN-LOWDOPEQSA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001220137909 780185179 /nfs/dbraw/zinc/18/51/79/780185179.db2.gz LOUREXUBPIMHJN-LOWDOPEQSA-N 2 2 301.387 -1.751 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001220166443 780187688 /nfs/dbraw/zinc/18/76/88/780187688.db2.gz YFLMENUFPFCJKZ-CRWXNKLISA-N 2 2 315.414 -1.361 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001220166443 780187693 /nfs/dbraw/zinc/18/76/93/780187693.db2.gz YFLMENUFPFCJKZ-CRWXNKLISA-N 2 2 315.414 -1.361 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001220166443 780187700 /nfs/dbraw/zinc/18/77/00/780187700.db2.gz YFLMENUFPFCJKZ-CRWXNKLISA-N 2 2 315.414 -1.361 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001220166443 780187706 /nfs/dbraw/zinc/18/77/06/780187706.db2.gz YFLMENUFPFCJKZ-CRWXNKLISA-N 2 2 315.414 -1.361 20 0 DAADLP Cn1ccc(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1=O ZINC001220179773 780189293 /nfs/dbraw/zinc/18/92/93/780189293.db2.gz RNQOOSJSKLPWOP-CYBMUJFWSA-N 2 2 307.398 -1.248 20 0 DAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001220186144 780189618 /nfs/dbraw/zinc/18/96/18/780189618.db2.gz MGECPDMVDHUTIF-WCBMZHEXSA-N 2 2 302.325 -1.175 20 0 DAADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001220186142 780189842 /nfs/dbraw/zinc/18/98/42/780189842.db2.gz MGECPDMVDHUTIF-PSASIEDQSA-N 2 2 302.325 -1.175 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230842 780192493 /nfs/dbraw/zinc/19/24/93/780192493.db2.gz QSQLMGMJUJDFNX-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230842 780192498 /nfs/dbraw/zinc/19/24/98/780192498.db2.gz QSQLMGMJUJDFNX-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CN(C)S(=O)(=O)CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220268388 780197236 /nfs/dbraw/zinc/19/72/36/780197236.db2.gz GQPHWELUVXPNGG-LLVKDONJSA-N 2 2 321.447 -2.256 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220275395 780197973 /nfs/dbraw/zinc/19/79/73/780197973.db2.gz WZBZHHULRYZRNN-VWYCJHECSA-N 2 2 312.370 -2.095 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220275395 780197983 /nfs/dbraw/zinc/19/79/83/780197983.db2.gz WZBZHHULRYZRNN-VWYCJHECSA-N 2 2 312.370 -2.095 20 0 DAADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272282 780198646 /nfs/dbraw/zinc/19/86/46/780198646.db2.gz WODBZJANABXQMR-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272282 780198647 /nfs/dbraw/zinc/19/86/47/780198647.db2.gz WODBZJANABXQMR-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277113 780199027 /nfs/dbraw/zinc/19/90/27/780199027.db2.gz QYMLBTWZYSVZSX-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277113 780199030 /nfs/dbraw/zinc/19/90/30/780199030.db2.gz QYMLBTWZYSVZSX-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(N3CCOCC3)nn2)C1 ZINC001220390283 780208550 /nfs/dbraw/zinc/20/85/50/780208550.db2.gz WQYBFILQWHLWPC-PWSUYJOCSA-N 2 2 306.370 -1.381 20 0 DAADLP Cn1c(=O)cc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)[nH]c1=O ZINC001220424887 780212364 /nfs/dbraw/zinc/21/23/64/780212364.db2.gz XUQFBWPPWNIWHO-VIFPVBQESA-N 2 2 310.358 -1.825 20 0 DAADLP Cn1c(=O)cc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)[nH]c1=O ZINC001220424886 780212656 /nfs/dbraw/zinc/21/26/56/780212656.db2.gz XUQFBWPPWNIWHO-SECBINFHSA-N 2 2 310.358 -1.825 20 0 DAADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)O1 ZINC001220481755 780217683 /nfs/dbraw/zinc/21/76/83/780217683.db2.gz PYCYRQKSHRZPDU-UTUOFQBUSA-N 3 2 300.403 -1.092 20 0 DAADLP COC(=O)[C@@H]1C[C@H](C(=O)NCCOCCOCC[NH3+])CC[NH2+]1 ZINC001220519106 780221091 /nfs/dbraw/zinc/22/10/91/780221091.db2.gz BINDZWBGWOIEBA-NEPJUHHUSA-N 2 2 317.386 -1.364 20 0 DAADLP COCCOCCOCCOCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220514537 780221660 /nfs/dbraw/zinc/22/16/60/780221660.db2.gz OIVQALZVAJTHTQ-STQMWFEESA-N 2 2 319.402 -1.655 20 0 DAADLP CCOC(=O)C1=C(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[NH2+]C1 ZINC001220521973 780222560 /nfs/dbraw/zinc/22/25/60/780222560.db2.gz WAOMRGDTTIANJL-ZUZCIYMTSA-N 3 2 308.382 -1.135 20 0 DAADLP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC[NH2+]C1 ZINC001220521732 780223317 /nfs/dbraw/zinc/22/33/17/780223317.db2.gz MODWOZRRKPZPNO-QMMMGPOBSA-N 2 2 309.330 -2.004 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220578467 780230403 /nfs/dbraw/zinc/23/04/03/780230403.db2.gz DDPFQBUPSDJDEK-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220578467 780230410 /nfs/dbraw/zinc/23/04/10/780230410.db2.gz DDPFQBUPSDJDEK-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220582852 780231002 /nfs/dbraw/zinc/23/10/02/780231002.db2.gz HJBRPZYYRXMCIJ-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220582852 780231005 /nfs/dbraw/zinc/23/10/05/780231005.db2.gz HJBRPZYYRXMCIJ-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220584923 780232093 /nfs/dbraw/zinc/23/20/93/780232093.db2.gz OTSURZUPZSRHNO-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220584923 780232096 /nfs/dbraw/zinc/23/20/96/780232096.db2.gz OTSURZUPZSRHNO-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220584922 780232778 /nfs/dbraw/zinc/23/27/78/780232778.db2.gz OTSURZUPZSRHNO-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220584922 780232783 /nfs/dbraw/zinc/23/27/83/780232783.db2.gz OTSURZUPZSRHNO-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688461 780239713 /nfs/dbraw/zinc/23/97/13/780239713.db2.gz HLQRJNUCWQKTFI-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688461 780239715 /nfs/dbraw/zinc/23/97/15/780239715.db2.gz HLQRJNUCWQKTFI-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688461 780239724 /nfs/dbraw/zinc/23/97/24/780239724.db2.gz HLQRJNUCWQKTFI-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688461 780239733 /nfs/dbraw/zinc/23/97/33/780239733.db2.gz HLQRJNUCWQKTFI-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220723818 780241147 /nfs/dbraw/zinc/24/11/47/780241147.db2.gz CHHWZGHVNMAYIN-NSHDSACASA-N 2 2 322.431 -1.956 20 0 DAADLP C[C@H]1COCC[N@H+]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220723818 780241152 /nfs/dbraw/zinc/24/11/52/780241152.db2.gz CHHWZGHVNMAYIN-NSHDSACASA-N 2 2 322.431 -1.956 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220785944 780247726 /nfs/dbraw/zinc/24/77/26/780247726.db2.gz HMVZWGXDRPZRIP-GMXVVIOVSA-N 2 2 316.369 -1.069 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807551 780248721 /nfs/dbraw/zinc/24/87/21/780248721.db2.gz WXMHFZFIRHSVQK-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807551 780248723 /nfs/dbraw/zinc/24/87/23/780248723.db2.gz WXMHFZFIRHSVQK-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220831028 780250056 /nfs/dbraw/zinc/25/00/56/780250056.db2.gz NFJZLNYDJZPHME-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220831028 780250059 /nfs/dbraw/zinc/25/00/59/780250059.db2.gz NFJZLNYDJZPHME-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220831028 780250067 /nfs/dbraw/zinc/25/00/67/780250067.db2.gz NFJZLNYDJZPHME-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C[NH2+]C1 ZINC001220826021 780251026 /nfs/dbraw/zinc/25/10/26/780251026.db2.gz XXJJEXNGRKFBDS-NSHDSACASA-N 3 2 307.354 -1.174 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220829157 780251067 /nfs/dbraw/zinc/25/10/67/780251067.db2.gz LAXMLLOUIGQOKJ-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220829157 780251073 /nfs/dbraw/zinc/25/10/73/780251073.db2.gz LAXMLLOUIGQOKJ-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220829157 780251087 /nfs/dbraw/zinc/25/10/87/780251087.db2.gz LAXMLLOUIGQOKJ-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852829 780252204 /nfs/dbraw/zinc/25/22/04/780252204.db2.gz YYHSIECEFUSVIQ-RTXFEEFZSA-N 2 2 312.370 -1.571 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852829 780252211 /nfs/dbraw/zinc/25/22/11/780252211.db2.gz YYHSIECEFUSVIQ-RTXFEEFZSA-N 2 2 312.370 -1.571 20 0 DAADLP O=C(NCCN1CC[NH2+]CC1=O)c1nc2c(s1)C[NH2+]CC2 ZINC001220876445 780254848 /nfs/dbraw/zinc/25/48/48/780254848.db2.gz JZTJQGZBYINQIX-UHFFFAOYSA-N 2 2 309.395 -1.050 20 0 DAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001220926566 780258583 /nfs/dbraw/zinc/25/85/83/780258583.db2.gz RLIQUQHFIHDAPD-QWRGUYRKSA-N 2 2 304.416 -1.537 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934084 780260171 /nfs/dbraw/zinc/26/01/71/780260171.db2.gz JMIJAGCRWSCCJP-TUAOUCFPSA-N 2 2 321.381 -1.399 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979071 780264048 /nfs/dbraw/zinc/26/40/48/780264048.db2.gz DBQMGWXVHOWKCW-UPJWGTAASA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979071 780264051 /nfs/dbraw/zinc/26/40/51/780264051.db2.gz DBQMGWXVHOWKCW-UPJWGTAASA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978018 780265382 /nfs/dbraw/zinc/26/53/82/780265382.db2.gz IWFFPFHNKVYUOI-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978018 780265384 /nfs/dbraw/zinc/26/53/84/780265384.db2.gz IWFFPFHNKVYUOI-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP COc1cccc(CNC(=O)CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001221060519 780272768 /nfs/dbraw/zinc/27/27/68/780272768.db2.gz DCIJMBIGCAQLER-STQMWFEESA-N 2 2 306.366 -1.026 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221071810 780273710 /nfs/dbraw/zinc/27/37/10/780273710.db2.gz KICSQOBJRKITIG-RDBSUJKOSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221071810 780273717 /nfs/dbraw/zinc/27/37/17/780273717.db2.gz KICSQOBJRKITIG-RDBSUJKOSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221071807 780274045 /nfs/dbraw/zinc/27/40/45/780274045.db2.gz KICSQOBJRKITIG-MCIONIFRSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221071807 780274054 /nfs/dbraw/zinc/27/40/54/780274054.db2.gz KICSQOBJRKITIG-MCIONIFRSA-N 2 2 324.425 -1.088 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091334 780275837 /nfs/dbraw/zinc/27/58/37/780275837.db2.gz KOFKTVQABIVYCT-UTUOFQBUSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091334 780275842 /nfs/dbraw/zinc/27/58/42/780275842.db2.gz KOFKTVQABIVYCT-UTUOFQBUSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091334 780275847 /nfs/dbraw/zinc/27/58/47/780275847.db2.gz KOFKTVQABIVYCT-UTUOFQBUSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091334 780275853 /nfs/dbraw/zinc/27/58/53/780275853.db2.gz KOFKTVQABIVYCT-UTUOFQBUSA-N 2 2 300.403 -1.248 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091318 780276120 /nfs/dbraw/zinc/27/61/20/780276120.db2.gz KFQGBURKHYZEQA-UTUOFQBUSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091318 780276125 /nfs/dbraw/zinc/27/61/25/780276125.db2.gz KFQGBURKHYZEQA-UTUOFQBUSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091318 780276134 /nfs/dbraw/zinc/27/61/34/780276134.db2.gz KFQGBURKHYZEQA-UTUOFQBUSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091318 780276139 /nfs/dbraw/zinc/27/61/39/780276139.db2.gz KFQGBURKHYZEQA-UTUOFQBUSA-N 2 2 300.403 -1.378 20 0 DAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164376 780279169 /nfs/dbraw/zinc/27/91/69/780279169.db2.gz FWLUJTVCACKACL-OLZOCXBDSA-N 2 2 312.370 -1.293 20 0 DAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164376 780279179 /nfs/dbraw/zinc/27/91/79/780279179.db2.gz FWLUJTVCACKACL-OLZOCXBDSA-N 2 2 312.370 -1.293 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1C[NH2+]CCN1 ZINC001221256888 780285888 /nfs/dbraw/zinc/28/58/88/780285888.db2.gz QCZGTFWJDFEUDJ-NWDGAFQWSA-N 2 2 309.370 -1.428 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001221256780 780286423 /nfs/dbraw/zinc/28/64/23/780286423.db2.gz LUBFAYQPQWRKKJ-SRVKXCTJSA-N 2 2 310.354 -1.409 20 0 DAADLP O=C(NCCN1CCCS1(=O)=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221335506 780289472 /nfs/dbraw/zinc/28/94/72/780289472.db2.gz HMYPXUUUSCRZET-CMPLNLGQSA-N 2 2 302.400 -1.910 20 0 DAADLP O=C(NCCN1CCCS1(=O)=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221335510 780290402 /nfs/dbraw/zinc/29/04/02/780290402.db2.gz HMYPXUUUSCRZET-ZYHUDNBSSA-N 2 2 302.400 -1.910 20 0 DAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCOc1cc[nH+]cc1 ZINC001221393876 780292009 /nfs/dbraw/zinc/29/20/09/780292009.db2.gz PUZUOKZIXFOWMX-UHFFFAOYSA-N 2 2 316.383 -1.203 20 0 DAADLP O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221338026 780292645 /nfs/dbraw/zinc/29/26/45/780292645.db2.gz VLBZVIHJKQURFR-GARJFASQSA-N 2 2 302.400 -1.912 20 0 DAADLP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368809 780380382 /nfs/dbraw/zinc/38/03/82/780380382.db2.gz OMPUDKGSNXUSMN-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368809 780380389 /nfs/dbraw/zinc/38/03/89/780380389.db2.gz OMPUDKGSNXUSMN-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231368809 780380397 /nfs/dbraw/zinc/38/03/97/780380397.db2.gz OMPUDKGSNXUSMN-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231368809 780380404 /nfs/dbraw/zinc/38/04/04/780380404.db2.gz OMPUDKGSNXUSMN-KBPBESRZSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368817 780381685 /nfs/dbraw/zinc/38/16/85/780381685.db2.gz OMPUDKGSNXUSMN-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368817 780381687 /nfs/dbraw/zinc/38/16/87/780381687.db2.gz OMPUDKGSNXUSMN-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231368817 780381691 /nfs/dbraw/zinc/38/16/91/780381691.db2.gz OMPUDKGSNXUSMN-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231368817 780381695 /nfs/dbraw/zinc/38/16/95/780381695.db2.gz OMPUDKGSNXUSMN-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP C[NH+](C)CCN1CC[N@H+](CC(N)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001277982001 780421252 /nfs/dbraw/zinc/42/12/52/780421252.db2.gz RLILHBUXOPBWRX-OAHLLOKOSA-N 2 2 311.430 -1.310 20 0 DAADLP C[NH+](C)CCN1CC[N@@H+](CC(N)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001277982001 780421256 /nfs/dbraw/zinc/42/12/56/780421256.db2.gz RLILHBUXOPBWRX-OAHLLOKOSA-N 2 2 311.430 -1.310 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001278211322 780436468 /nfs/dbraw/zinc/43/64/68/780436468.db2.gz FRIAJZNMIOXBKT-NXEZZACHSA-N 2 2 309.326 -2.245 20 0 DAADLP COC(=O)C[C@@H]1C[NH2+]CCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC001239095252 780442340 /nfs/dbraw/zinc/44/23/40/780442340.db2.gz UCZCQSOPFQLSGW-SNVBAGLBSA-N 2 2 305.400 -1.095 20 0 DAADLP S=C(NCCC[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCN1 ZINC001239399409 780445238 /nfs/dbraw/zinc/44/52/38/780445238.db2.gz JDXMCWAKLQDBTB-GFCCVEGCSA-N 2 2 301.460 -1.266 20 0 DAADLP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246001968 780448431 /nfs/dbraw/zinc/44/84/31/780448431.db2.gz JPJCDDHPWSIBHF-UPJWGTAASA-N 3 2 315.414 -1.407 20 0 DAADLP CC(C)OC[C@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246052378 780449128 /nfs/dbraw/zinc/44/91/28/780449128.db2.gz KUJIKBBENLQFNZ-CYBMUJFWSA-N 3 2 304.435 -1.112 20 0 DAADLP CC(C)OC[C@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246052378 780449130 /nfs/dbraw/zinc/44/91/30/780449130.db2.gz KUJIKBBENLQFNZ-CYBMUJFWSA-N 3 2 304.435 -1.112 20 0 DAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c(n2)C[NH2+]CCC3)CN1 ZINC001246132493 780450694 /nfs/dbraw/zinc/45/06/94/780450694.db2.gz LSRVUMICKSEYRJ-PWSUYJOCSA-N 2 2 321.381 -1.270 20 0 DAADLP O=S(=O)(CC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2)N1CCNCC1 ZINC001246103757 780451330 /nfs/dbraw/zinc/45/13/30/780451330.db2.gz WWJAOYQWMMUCKX-FUNVUKJBSA-N 2 2 300.428 -1.130 20 0 DAADLP O=S(=O)(CC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC001246103757 780451325 /nfs/dbraw/zinc/45/13/25/780451325.db2.gz WWJAOYQWMMUCKX-FUNVUKJBSA-N 3 2 300.428 -1.130 20 0 DAADLP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)C[NH2+]1)N1CCSC1 ZINC001246240337 780453237 /nfs/dbraw/zinc/45/32/37/780453237.db2.gz VGAVWNAUVDJIBT-ZDEQEGDKSA-N 3 2 314.455 -1.190 20 0 DAADLP CCOC(=O)[C@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246420930 780454282 /nfs/dbraw/zinc/45/42/82/780454282.db2.gz ZTJUCLAIEXOOPE-MXWKQRLJSA-N 2 2 316.427 -1.270 20 0 DAADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCNC(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246635234 780455819 /nfs/dbraw/zinc/45/58/19/780455819.db2.gz JGZVFSLDIGYHOM-MNOVXSKESA-N 2 2 310.398 -1.168 20 0 DAADLP CC(=O)NCc1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750488 780456967 /nfs/dbraw/zinc/45/69/67/780456967.db2.gz VSQCLKDDBDGKQN-GFCCVEGCSA-N 2 2 319.413 -1.176 20 0 DAADLP CC(=O)NCc1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246750488 780456971 /nfs/dbraw/zinc/45/69/71/780456971.db2.gz VSQCLKDDBDGKQN-GFCCVEGCSA-N 2 2 319.413 -1.176 20 0 DAADLP COC(=O)C1C[C@@H]2CC([N@H+]3CCN[C@@H](C(N)=O)C3)C[C@H](C1)[NH2+]2 ZINC001246797206 780457039 /nfs/dbraw/zinc/45/70/39/780457039.db2.gz NAKQNSAIAUWYEU-APSDNXJZSA-N 2 2 310.398 -1.182 20 0 DAADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CN1 ZINC001246840690 780458209 /nfs/dbraw/zinc/45/82/09/780458209.db2.gz OXBXWZQQNFSZGT-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CN1 ZINC001246840690 780458214 /nfs/dbraw/zinc/45/82/14/780458214.db2.gz OXBXWZQQNFSZGT-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CN1 ZINC001246840689 780458300 /nfs/dbraw/zinc/45/83/00/780458300.db2.gz OXBXWZQQNFSZGT-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CN1 ZINC001246840689 780458302 /nfs/dbraw/zinc/45/83/02/780458302.db2.gz OXBXWZQQNFSZGT-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1C[NH2+]CC1(F)F)O3 ZINC001247007613 780458355 /nfs/dbraw/zinc/45/83/55/780458355.db2.gz CPAUTXIQIWFYGL-KATARQTJSA-N 2 2 309.338 -1.262 20 0 DAADLP Cc1nc(N2CC[NH+](CCO)CC2)cc(NC[C@H](O)CO)[nH+]1 ZINC001252054249 780469017 /nfs/dbraw/zinc/46/90/17/780469017.db2.gz RFWVZIVLROBEAS-LBPRGKRZSA-N 2 2 311.386 -1.336 20 0 DAADLP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001255954134 780504624 /nfs/dbraw/zinc/50/46/24/780504624.db2.gz AMXKNPLAAZWQJN-LLVKDONJSA-N 2 2 315.418 -1.586 20 0 DAADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001255948584 780504634 /nfs/dbraw/zinc/50/46/34/780504634.db2.gz NVQKQZYPDAXRRU-NFTYFPCCSA-N 2 2 306.403 -1.504 20 0 DAADLP NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074346 780506307 /nfs/dbraw/zinc/50/63/07/780506307.db2.gz TWMSESCKLUZNRU-UHFFFAOYSA-N 2 2 311.386 -2.080 20 0 DAADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262542291 780573847 /nfs/dbraw/zinc/57/38/47/780573847.db2.gz WMUDBHKUURZUPL-UHFFFAOYSA-N 2 2 322.413 -1.199 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001263150645 780576913 /nfs/dbraw/zinc/57/69/13/780576913.db2.gz HPGCQYKBCODYPQ-ZFWWWQNUSA-N 2 2 315.414 -1.094 20 0 DAADLP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001279745243 780625760 /nfs/dbraw/zinc/62/57/60/780625760.db2.gz BHRYOKYBFAHPJK-GFCCVEGCSA-N 2 2 323.397 -1.398 20 0 DAADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282192118 780702964 /nfs/dbraw/zinc/70/29/64/780702964.db2.gz KHQKXKYBHSDQFL-VHSXEESVSA-N 2 2 317.415 -1.016 20 0 DAADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCNS(C)(=O)=O ZINC001283693020 780769953 /nfs/dbraw/zinc/76/99/53/780769953.db2.gz VKKCBFWOPGOQTE-JTQLQIEISA-N 2 2 317.415 -1.062 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCNS(C)(=O)=O ZINC001283693021 780770190 /nfs/dbraw/zinc/77/01/90/780770190.db2.gz VKKCBFWOPGOQTE-SNVBAGLBSA-N 2 2 317.415 -1.062 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283812470 780779099 /nfs/dbraw/zinc/77/90/99/780779099.db2.gz IHWQAUOQKFYBGV-VHSXEESVSA-N 2 2 309.326 -2.176 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283812471 780779530 /nfs/dbraw/zinc/77/95/30/780779530.db2.gz IHWQAUOQKFYBGV-ZJUUUORDSA-N 2 2 309.326 -2.176 20 0 DAADLP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001284476370 780819974 /nfs/dbraw/zinc/81/99/74/780819974.db2.gz IFKYDAFGQGERIX-GFCCVEGCSA-N 2 2 324.385 -1.683 20 0 DAADLP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001284869802 780840426 /nfs/dbraw/zinc/84/04/26/780840426.db2.gz FCHNTJIHRAFSAH-LBPRGKRZSA-N 2 2 323.397 -1.005 20 0 DAADLP CS(=O)(=O)NC1CN(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001160661822 781380763 /nfs/dbraw/zinc/38/07/63/781380763.db2.gz RTBNICFTGYDPKN-NSHDSACASA-N 2 2 319.431 -2.503 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001171243512 781392813 /nfs/dbraw/zinc/39/28/13/781392813.db2.gz CHSAAHUIYJORNM-UHFFFAOYSA-N 2 2 317.415 -1.392 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171244825 781405159 /nfs/dbraw/zinc/40/51/59/781405159.db2.gz SUAYRLQWLAULMD-UHFFFAOYSA-N 2 2 322.369 -1.390 20 0 DAADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001144942985 781405832 /nfs/dbraw/zinc/40/58/32/781405832.db2.gz DKZQPCHZPUVBKK-XUXIUFHCSA-N 2 2 320.397 -1.916 20 0 DAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160774454 781406886 /nfs/dbraw/zinc/40/68/86/781406886.db2.gz UICKAGYGGIRGBD-IUCAKERBSA-N 2 2 319.383 -2.149 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565708 781414986 /nfs/dbraw/zinc/41/49/86/781414986.db2.gz VVZLBZKOMQONAK-XUJVJEKNSA-N 2 2 310.398 -1.417 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565708 781414992 /nfs/dbraw/zinc/41/49/92/781414992.db2.gz VVZLBZKOMQONAK-XUJVJEKNSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565708 781414994 /nfs/dbraw/zinc/41/49/94/781414994.db2.gz VVZLBZKOMQONAK-XUJVJEKNSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565708 781414997 /nfs/dbraw/zinc/41/49/97/781414997.db2.gz VVZLBZKOMQONAK-XUJVJEKNSA-N 2 2 310.398 -1.417 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001149122873 781415138 /nfs/dbraw/zinc/41/51/38/781415138.db2.gz CWGCSHZTXIAJGW-LBPRGKRZSA-N 2 2 323.397 -1.050 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001149123667 781435844 /nfs/dbraw/zinc/43/58/44/781435844.db2.gz NDWSQILDIRDANQ-UHFFFAOYSA-N 2 2 322.369 -2.075 20 0 DAADLP CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298868 781437016 /nfs/dbraw/zinc/43/70/16/781437016.db2.gz YBKPSPRXQDMPIU-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298868 781437021 /nfs/dbraw/zinc/43/70/21/781437021.db2.gz YBKPSPRXQDMPIU-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298868 781437027 /nfs/dbraw/zinc/43/70/27/781437027.db2.gz YBKPSPRXQDMPIU-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298868 781437028 /nfs/dbraw/zinc/43/70/28/781437028.db2.gz YBKPSPRXQDMPIU-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124498 781445277 /nfs/dbraw/zinc/44/52/77/781445277.db2.gz SIRZTEJVCVSHLT-LBPRGKRZSA-N 2 2 314.386 -1.010 20 0 DAADLP COCCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871774 781458849 /nfs/dbraw/zinc/45/88/49/781458849.db2.gz LKXNFYIROZIDPI-UHFFFAOYSA-N 2 2 311.386 -1.179 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286948 781495685 /nfs/dbraw/zinc/49/56/85/781495685.db2.gz PWFQBILCSXFFTK-WWGRRREGSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286948 781495695 /nfs/dbraw/zinc/49/56/95/781495695.db2.gz PWFQBILCSXFFTK-WWGRRREGSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286948 781495703 /nfs/dbraw/zinc/49/57/03/781495703.db2.gz PWFQBILCSXFFTK-WWGRRREGSA-N 2 2 324.425 -1.027 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286948 781495710 /nfs/dbraw/zinc/49/57/10/781495710.db2.gz PWFQBILCSXFFTK-WWGRRREGSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)C1 ZINC001094338420 781543399 /nfs/dbraw/zinc/54/33/99/781543399.db2.gz HACCXQUQNVTWND-LLVKDONJSA-N 2 2 308.386 -1.305 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)C1 ZINC001094338420 781543403 /nfs/dbraw/zinc/54/34/03/781543403.db2.gz HACCXQUQNVTWND-LLVKDONJSA-N 2 2 308.386 -1.305 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)C1 ZINC001094338422 781543927 /nfs/dbraw/zinc/54/39/27/781543927.db2.gz HACCXQUQNVTWND-NSHDSACASA-N 2 2 308.386 -1.305 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)C1 ZINC001094338422 781543932 /nfs/dbraw/zinc/54/39/32/781543932.db2.gz HACCXQUQNVTWND-NSHDSACASA-N 2 2 308.386 -1.305 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094759391 781560451 /nfs/dbraw/zinc/56/04/51/781560451.db2.gz IFLOXVYXWXOIBV-GFCCVEGCSA-N 2 2 321.381 -1.415 20 0 DAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783082 781576613 /nfs/dbraw/zinc/57/66/13/781576613.db2.gz LANDOPKNNSHIMS-STQMWFEESA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094783082 781576618 /nfs/dbraw/zinc/57/66/18/781576618.db2.gz LANDOPKNNSHIMS-STQMWFEESA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814626 781580518 /nfs/dbraw/zinc/58/05/18/781580518.db2.gz HEJJJGPFHSWYHV-NEPJUHHUSA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814626 781580522 /nfs/dbraw/zinc/58/05/22/781580522.db2.gz HEJJJGPFHSWYHV-NEPJUHHUSA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814628 781580618 /nfs/dbraw/zinc/58/06/18/781580618.db2.gz HEJJJGPFHSWYHV-RYUDHWBXSA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814628 781580626 /nfs/dbraw/zinc/58/06/26/781580626.db2.gz HEJJJGPFHSWYHV-RYUDHWBXSA-N 2 2 310.398 -1.668 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094818242 781582290 /nfs/dbraw/zinc/58/22/90/781582290.db2.gz ZSLGYNDOEPZYAM-LBPRGKRZSA-N 2 2 310.398 -1.524 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001176126138 781614174 /nfs/dbraw/zinc/61/41/74/781614174.db2.gz WXJIGHOKIRTXJN-UHFFFAOYSA-N 2 2 307.358 -1.091 20 0 DAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001176379958 781618076 /nfs/dbraw/zinc/61/80/76/781618076.db2.gz MSGGFYOEJPCYTL-LLVKDONJSA-N 3 2 309.374 -1.082 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001177411388 781634729 /nfs/dbraw/zinc/63/47/29/781634729.db2.gz PRJOEWOOKFXIIX-UHFFFAOYSA-N 2 2 322.369 -1.079 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415437 781636166 /nfs/dbraw/zinc/63/61/66/781636166.db2.gz XJEVIRUWBIMUES-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001179608329 781661945 /nfs/dbraw/zinc/66/19/45/781661945.db2.gz HOSNGKRDLSUXKY-WPRPVWTQSA-N 2 2 308.342 -1.274 20 0 DAADLP CC(C)[NH+]1CCN(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001180351896 781671191 /nfs/dbraw/zinc/67/11/91/781671191.db2.gz BYZXEHKGNHHERR-MELADBBJSA-N 2 2 311.434 -2.469 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001181822228 781694986 /nfs/dbraw/zinc/69/49/86/781694986.db2.gz PZQRQMNJHBOHMH-ZJUUUORDSA-N 2 2 313.358 -2.298 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001181822228 781694992 /nfs/dbraw/zinc/69/49/92/781694992.db2.gz PZQRQMNJHBOHMH-ZJUUUORDSA-N 2 2 313.358 -2.298 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919566 781769325 /nfs/dbraw/zinc/76/93/25/781769325.db2.gz VLDATASNGRNAGN-SNVBAGLBSA-N 2 2 322.369 -1.012 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186221953 781775362 /nfs/dbraw/zinc/77/53/62/781775362.db2.gz RUPLAIOQQSMRCW-NXEZZACHSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186221953 781775370 /nfs/dbraw/zinc/77/53/70/781775370.db2.gz RUPLAIOQQSMRCW-NXEZZACHSA-N 2 2 322.369 -1.026 20 0 DAADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001186116552 781775476 /nfs/dbraw/zinc/77/54/76/781775476.db2.gz GYTGPXZKMICPGZ-LBPRGKRZSA-N 2 2 311.382 -1.070 20 0 DAADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001186116552 781775480 /nfs/dbraw/zinc/77/54/80/781775480.db2.gz GYTGPXZKMICPGZ-LBPRGKRZSA-N 2 2 311.382 -1.070 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186583406 781780632 /nfs/dbraw/zinc/78/06/32/781780632.db2.gz GLWATWBKUHLNSD-NXEZZACHSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576761 781780770 /nfs/dbraw/zinc/78/07/70/781780770.db2.gz YSKKHETWIOEKLY-SECBINFHSA-N 2 2 308.342 -1.402 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369134 781817443 /nfs/dbraw/zinc/81/74/43/781817443.db2.gz SOJAWNNXSONDNQ-SNVBAGLBSA-N 2 2 308.342 -1.471 20 0 DAADLP Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)n1 ZINC001115119329 781849447 /nfs/dbraw/zinc/84/94/47/781849447.db2.gz VEIYYPXELOPVJV-NHAGDIPZSA-N 2 2 322.413 -1.060 20 0 DAADLP Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)n1 ZINC001115119329 781849451 /nfs/dbraw/zinc/84/94/51/781849451.db2.gz VEIYYPXELOPVJV-NHAGDIPZSA-N 2 2 322.413 -1.060 20 0 DAADLP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190890052 781885181 /nfs/dbraw/zinc/88/51/81/781885181.db2.gz NTHJLJVJLAFMSB-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190890052 781885192 /nfs/dbraw/zinc/88/51/92/781885192.db2.gz NTHJLJVJLAFMSB-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190890052 781885199 /nfs/dbraw/zinc/88/51/99/781885199.db2.gz NTHJLJVJLAFMSB-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190890052 781885206 /nfs/dbraw/zinc/88/52/06/781885206.db2.gz NTHJLJVJLAFMSB-JHJVBQTASA-N 2 2 312.414 -1.016 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001376864554 921739104 /nfs/dbraw/zinc/73/91/04/921739104.db2.gz YXLKXOREASHVQF-QMMMGPOBSA-N 2 2 310.358 -1.189 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892600 921743069 /nfs/dbraw/zinc/74/30/69/921743069.db2.gz UDXOMQPYKXMHKY-QWRGUYRKSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001376892600 921743082 /nfs/dbraw/zinc/74/30/82/921743082.db2.gz UDXOMQPYKXMHKY-QWRGUYRKSA-N 2 2 311.390 -1.475 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376937296 921750531 /nfs/dbraw/zinc/75/05/31/921750531.db2.gz HASZIAOXBJWZJH-LLVKDONJSA-N 2 2 322.369 -1.094 20 0 DAADLP CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001376996650 921754788 /nfs/dbraw/zinc/75/47/88/921754788.db2.gz OZDBGIOFVBDVEU-UHFFFAOYSA-N 2 2 310.358 -1.073 20 0 DAADLP CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001376996650 921754794 /nfs/dbraw/zinc/75/47/94/921754794.db2.gz OZDBGIOFVBDVEU-UHFFFAOYSA-N 2 2 310.358 -1.073 20 0 DAADLP COC[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001377086173 921762333 /nfs/dbraw/zinc/76/23/33/921762333.db2.gz QLDWKJWOZODESL-CHWSQXEVSA-N 2 2 315.414 -1.095 20 0 DAADLP CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377205337 921784239 /nfs/dbraw/zinc/78/42/39/921784239.db2.gz JFAOSSSGSPMWHP-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377205337 921784247 /nfs/dbraw/zinc/78/42/47/921784247.db2.gz JFAOSSSGSPMWHP-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377205337 921784256 /nfs/dbraw/zinc/78/42/56/921784256.db2.gz JFAOSSSGSPMWHP-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377205337 921784261 /nfs/dbraw/zinc/78/42/61/921784261.db2.gz JFAOSSSGSPMWHP-LLVKDONJSA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377210012 921785657 /nfs/dbraw/zinc/78/56/57/921785657.db2.gz CNTNWKYTUVPLJE-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377210012 921785666 /nfs/dbraw/zinc/78/56/66/921785666.db2.gz CNTNWKYTUVPLJE-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377210012 921785678 /nfs/dbraw/zinc/78/56/78/921785678.db2.gz CNTNWKYTUVPLJE-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001377210012 921785687 /nfs/dbraw/zinc/78/56/87/921785687.db2.gz CNTNWKYTUVPLJE-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001377265493 921795729 /nfs/dbraw/zinc/79/57/29/921795729.db2.gz JVRLFKQVTVGXGU-MNOVXSKESA-N 2 2 322.369 -1.225 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105202793 916126094 /nfs/dbraw/zinc/12/60/94/916126094.db2.gz UPFZGPIPHCVGFL-ZDUSSCGKSA-N 2 2 324.385 -1.926 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105202793 916126107 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CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001325388529 916844311 /nfs/dbraw/zinc/84/43/11/916844311.db2.gz VJFMCAKOTNTCKT-LBPRGKRZSA-N 2 2 308.386 -1.639 20 0 DAADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001326158031 916905233 /nfs/dbraw/zinc/90/52/33/916905233.db2.gz DOQUYULLSYQGMI-LLVKDONJSA-N 2 2 323.353 -1.901 20 0 DAADLP CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC001326278661 916914345 /nfs/dbraw/zinc/91/43/45/916914345.db2.gz ZPGIDKKQDHPFGH-NSHDSACASA-N 2 2 309.370 -1.614 20 0 DAADLP CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC001326278661 916914356 /nfs/dbraw/zinc/91/43/56/916914356.db2.gz ZPGIDKKQDHPFGH-NSHDSACASA-N 2 2 309.370 -1.614 20 0 DAADLP O=C1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C(=O)N1 ZINC001327014026 916979926 /nfs/dbraw/zinc/97/99/26/916979926.db2.gz WMUIXQZMSIIXIW-LBPRGKRZSA-N 2 2 311.382 -1.049 20 0 DAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331752969 917331605 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C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001334499987 917493895 /nfs/dbraw/zinc/49/38/95/917493895.db2.gz OMSTWVFOJFPTIO-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001334499987 917493909 /nfs/dbraw/zinc/49/39/09/917493909.db2.gz OMSTWVFOJFPTIO-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138235 918468128 /nfs/dbraw/zinc/46/81/28/918468128.db2.gz KDQHNSPZEZGSDY-SNVBAGLBSA-N 2 2 308.390 -1.460 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138235 918468137 /nfs/dbraw/zinc/46/81/37/918468137.db2.gz KDQHNSPZEZGSDY-SNVBAGLBSA-N 2 2 308.390 -1.460 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1=O ZINC001363199665 918719502 /nfs/dbraw/zinc/71/95/02/918719502.db2.gz XXIMPZHLWUZLHM-AAEUAGOBSA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1=O ZINC001363199665 918719514 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-1.094 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001367586946 919499400 /nfs/dbraw/zinc/49/94/00/919499400.db2.gz WHHQMMMHDATXIG-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001367586946 919499408 /nfs/dbraw/zinc/49/94/08/919499408.db2.gz WHHQMMMHDATXIG-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592582 919504834 /nfs/dbraw/zinc/50/48/34/919504834.db2.gz RNKZDLAJUXTYST-JOYOIKCWSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592582 919504849 /nfs/dbraw/zinc/50/48/49/919504849.db2.gz RNKZDLAJUXTYST-JOYOIKCWSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592581 919505428 /nfs/dbraw/zinc/50/54/28/919505428.db2.gz RNKZDLAJUXTYST-CABZTGNLSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592581 919505438 /nfs/dbraw/zinc/50/54/38/919505438.db2.gz RNKZDLAJUXTYST-CABZTGNLSA-N 2 2 324.385 -1.658 20 0 DAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001367603246 919515168 /nfs/dbraw/zinc/51/51/68/919515168.db2.gz GDWYJSIZKRSRGH-STQMWFEESA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001367603246 919515182 /nfs/dbraw/zinc/51/51/82/919515182.db2.gz GDWYJSIZKRSRGH-STQMWFEESA-N 2 2 310.402 -1.134 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001367606918 919520510 /nfs/dbraw/zinc/52/05/10/919520510.db2.gz YOJLDOOQKVLZOG-MNOVXSKESA-N 2 2 322.373 -1.457 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001367618474 919533412 /nfs/dbraw/zinc/53/34/12/919533412.db2.gz DSVIEVDDMRXLDA-LLVKDONJSA-N 2 2 311.386 -1.194 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367665555 919551482 /nfs/dbraw/zinc/55/14/82/919551482.db2.gz RIQBPQOPNVBJMO-VXGBXAGGSA-N 2 2 300.403 -1.064 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367665555 919551493 /nfs/dbraw/zinc/55/14/93/919551493.db2.gz RIQBPQOPNVBJMO-VXGBXAGGSA-N 2 2 300.403 -1.064 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367703801 919557766 /nfs/dbraw/zinc/55/77/66/919557766.db2.gz LWGYJBZBBULXHZ-RKDXNWHRSA-N 2 2 310.358 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001367910015 919584220 /nfs/dbraw/zinc/58/42/20/919584220.db2.gz HXTCBAXJYLEMBM-NSHDSACASA-N 2 2 322.369 -1.108 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001368262121 919644507 /nfs/dbraw/zinc/64/45/07/919644507.db2.gz PJAMLAWEWRMERQ-AWEZNQCLSA-N 2 2 319.369 -1.203 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368262121 919644518 /nfs/dbraw/zinc/64/45/18/919644518.db2.gz PJAMLAWEWRMERQ-AWEZNQCLSA-N 2 2 319.369 -1.203 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368274787 919654728 /nfs/dbraw/zinc/65/47/28/919654728.db2.gz UAUCADMOXBZZOT-FZMZJTMJSA-N 2 2 312.370 -1.488 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368274787 919654762 /nfs/dbraw/zinc/65/47/62/919654762.db2.gz UAUCADMOXBZZOT-FZMZJTMJSA-N 2 2 312.370 -1.488 20 0 DAADLP CN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001368276531 919658716 /nfs/dbraw/zinc/65/87/16/919658716.db2.gz OJASQMZINHJKHF-WFASDCNBSA-N 2 2 321.381 -1.333 20 0 DAADLP CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001368276531 919658721 /nfs/dbraw/zinc/65/87/21/919658721.db2.gz OJASQMZINHJKHF-WFASDCNBSA-N 2 2 321.381 -1.333 20 0 DAADLP CN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001368276528 919660855 /nfs/dbraw/zinc/66/08/55/919660855.db2.gz OJASQMZINHJKHF-SWLSCSKDSA-N 2 2 321.381 -1.333 20 0 DAADLP CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001368276528 919660862 /nfs/dbraw/zinc/66/08/62/919660862.db2.gz OJASQMZINHJKHF-SWLSCSKDSA-N 2 2 321.381 -1.333 20 0 DAADLP CC[C@H]([NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001368505558 919733106 /nfs/dbraw/zinc/73/31/06/919733106.db2.gz AXFLWZGZDVIDEX-RYUDHWBXSA-N 2 2 309.370 -1.036 20 0 DAADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001368748972 919771957 /nfs/dbraw/zinc/77/19/57/919771957.db2.gz MCQLKELANZCUNI-JTQLQIEISA-N 2 2 307.358 -1.011 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001368887626 919785963 /nfs/dbraw/zinc/78/59/63/919785963.db2.gz LTMXGEHWOVAWKK-RKDXNWHRSA-N 2 2 310.358 -1.109 20 0 DAADLP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001369160461 919822417 /nfs/dbraw/zinc/82/24/17/919822417.db2.gz PAQMEEOPZADYOF-CMPLNLGQSA-N 2 2 309.370 -1.096 20 0 DAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369325570 919860416 /nfs/dbraw/zinc/86/04/16/919860416.db2.gz PYJJMWXEVZVXSR-NWDGAFQWSA-N 2 2 323.401 -1.881 20 0 DAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369325565 919860564 /nfs/dbraw/zinc/86/05/64/919860564.db2.gz PYJJMWXEVZVXSR-NEPJUHHUSA-N 2 2 323.401 -1.881 20 0 DAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369325583 919860756 /nfs/dbraw/zinc/86/07/56/919860756.db2.gz PYJJMWXEVZVXSR-VXGBXAGGSA-N 2 2 323.401 -1.881 20 0 DAADLP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001369328700 919863904 /nfs/dbraw/zinc/86/39/04/919863904.db2.gz DXOUABSZNWOEER-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001369332549 919867533 /nfs/dbraw/zinc/86/75/33/919867533.db2.gz FWOHYIXGJZABDJ-OLZOCXBDSA-N 2 2 312.418 -1.032 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001369356857 919896506 /nfs/dbraw/zinc/89/65/06/919896506.db2.gz XKDXPMWSTHCDJO-VHSXEESVSA-N 2 2 312.374 -2.231 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001369356857 919896514 /nfs/dbraw/zinc/89/65/14/919896514.db2.gz XKDXPMWSTHCDJO-VHSXEESVSA-N 2 2 312.374 -2.231 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369357279 919896550 /nfs/dbraw/zinc/89/65/50/919896550.db2.gz AHVJCMYFFLULBX-AAEUAGOBSA-N 2 2 323.397 -1.065 20 0 DAADLP Cn1cc(CC[NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001369372145 919908323 /nfs/dbraw/zinc/90/83/23/919908323.db2.gz HYPZFIIPAFGRRL-ZDUSSCGKSA-N 2 2 306.370 -1.074 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001369382901 919917376 /nfs/dbraw/zinc/91/73/76/919917376.db2.gz PRSALXRFIRSNSP-JTQLQIEISA-N 2 2 324.385 -2.229 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369382912 919919802 /nfs/dbraw/zinc/91/98/02/919919802.db2.gz PRVSRUSCOYZEKK-NEPJUHHUSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369382912 919919823 /nfs/dbraw/zinc/91/98/23/919919823.db2.gz PRVSRUSCOYZEKK-NEPJUHHUSA-N 2 2 310.402 -1.276 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369472213 919949515 /nfs/dbraw/zinc/94/95/15/919949515.db2.gz NKGJOQNDXWCKTD-GFCCVEGCSA-N 2 2 311.386 -1.161 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001369475723 919952379 /nfs/dbraw/zinc/95/23/79/919952379.db2.gz XOYSLNULPONXBK-PWSUYJOCSA-N 2 2 311.386 -1.162 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]cn1C ZINC001369477061 919953108 /nfs/dbraw/zinc/95/31/08/919953108.db2.gz CLPCACUEFPMUCA-STQMWFEESA-N 2 2 323.397 -1.398 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369476607 919953630 /nfs/dbraw/zinc/95/36/30/919953630.db2.gz BDDZIZYSGHMYSF-PWSUYJOCSA-N 2 2 311.386 -1.494 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001369489973 919960565 /nfs/dbraw/zinc/96/05/65/919960565.db2.gz YMRYKLODOLDLHO-GHMZBOCLSA-N 2 2 323.397 -1.015 20 0 DAADLP CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001369490988 919965435 /nfs/dbraw/zinc/96/54/35/919965435.db2.gz YMGUKBWURJOLCN-GHMZBOCLSA-N 2 2 311.386 -1.067 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001370356413 920052611 /nfs/dbraw/zinc/05/26/11/920052611.db2.gz MFMQDTREYVFBDF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001370356413 920052623 /nfs/dbraw/zinc/05/26/23/920052623.db2.gz MFMQDTREYVFBDF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370673817 920103321 /nfs/dbraw/zinc/10/33/21/920103321.db2.gz WGBBVABTCXXWKH-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370673817 920103335 /nfs/dbraw/zinc/10/33/35/920103335.db2.gz WGBBVABTCXXWKH-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370673815 920103928 /nfs/dbraw/zinc/10/39/28/920103928.db2.gz WGBBVABTCXXWKH-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001370673815 920103945 /nfs/dbraw/zinc/10/39/45/920103945.db2.gz WGBBVABTCXXWKH-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001370742981 920153590 /nfs/dbraw/zinc/15/35/90/920153590.db2.gz HUOQCAUDNOOONE-WCQYABFASA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370742981 920153599 /nfs/dbraw/zinc/15/35/99/920153599.db2.gz HUOQCAUDNOOONE-WCQYABFASA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001370745650 920154619 /nfs/dbraw/zinc/15/46/19/920154619.db2.gz PKJQBIJQGYITLS-GFCCVEGCSA-N 2 2 323.397 -1.348 20 0 DAADLP CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001370812316 920186334 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JWLOANSGHFFEAC-SNVBAGLBSA-N 2 2 308.386 -1.202 20 0 DAADLP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001371462083 920261454 /nfs/dbraw/zinc/26/14/54/920261454.db2.gz ASBGVZTZXLZAMC-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001371462083 920261466 /nfs/dbraw/zinc/26/14/66/920261466.db2.gz ASBGVZTZXLZAMC-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O)[NH+](C)C ZINC001371462848 920263359 /nfs/dbraw/zinc/26/33/59/920263359.db2.gz SNKCGAKYQTVWAU-GRYCIOLGSA-N 2 2 323.397 -1.020 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001371476977 920264798 /nfs/dbraw/zinc/26/47/98/920264798.db2.gz KFFAKOSPHQAGFN-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001371476977 920264813 /nfs/dbraw/zinc/26/48/13/920264813.db2.gz KFFAKOSPHQAGFN-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001371619943 920293057 /nfs/dbraw/zinc/29/30/57/920293057.db2.gz OTJQVBKEYFPQJN-JTQLQIEISA-N 2 2 322.369 -1.106 20 0 DAADLP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)NC ZINC001372686268 920397271 /nfs/dbraw/zinc/39/72/71/920397271.db2.gz AKPPVXHGQVWPPN-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)NC ZINC001372686268 920397288 /nfs/dbraw/zinc/39/72/88/920397288.db2.gz AKPPVXHGQVWPPN-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)NC ZINC001372686268 920397304 /nfs/dbraw/zinc/39/73/04/920397304.db2.gz AKPPVXHGQVWPPN-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)NC ZINC001372686268 920397323 /nfs/dbraw/zinc/39/73/23/920397323.db2.gz AKPPVXHGQVWPPN-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C)C(=O)NC(N)=O ZINC001372956479 920441835 /nfs/dbraw/zinc/44/18/35/920441835.db2.gz ZEWJSQNHNWSSQE-JTQLQIEISA-N 2 2 324.385 -1.016 20 0 DAADLP C[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001373315563 920476283 /nfs/dbraw/zinc/47/62/83/920476283.db2.gz CZMUTXWSOAOHTJ-CYBMUJFWSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001373315563 920476291 /nfs/dbraw/zinc/47/62/91/920476291.db2.gz CZMUTXWSOAOHTJ-CYBMUJFWSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001373315563 920476295 /nfs/dbraw/zinc/47/62/95/920476295.db2.gz CZMUTXWSOAOHTJ-CYBMUJFWSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+](CC(N)=O)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001373315563 920476298 /nfs/dbraw/zinc/47/62/98/920476298.db2.gz CZMUTXWSOAOHTJ-CYBMUJFWSA-N 2 2 312.414 -1.027 20 0 DAADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001373480909 920508857 /nfs/dbraw/zinc/50/88/57/920508857.db2.gz JZUWTIMNUPRUGI-TZMCWYRMSA-N 2 2 315.414 -1.238 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995683 920573217 /nfs/dbraw/zinc/57/32/17/920573217.db2.gz FYCRPKYKYZWSKX-GHMZBOCLSA-N 2 2 311.390 -1.617 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995683 920573221 /nfs/dbraw/zinc/57/32/21/920573221.db2.gz FYCRPKYKYZWSKX-GHMZBOCLSA-N 2 2 311.390 -1.617 20 0 DAADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]CC(=O)NC(N)=O ZINC001374049124 920580196 /nfs/dbraw/zinc/58/01/96/920580196.db2.gz XIAIMFRRQOOWNP-SNVBAGLBSA-N 2 2 324.385 -1.111 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374096626 920582695 /nfs/dbraw/zinc/58/26/95/920582695.db2.gz HKAZLQQJMPRIMC-JTQLQIEISA-N 2 2 321.385 -1.074 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374096630 920582920 /nfs/dbraw/zinc/58/29/20/920582920.db2.gz HKAZLQQJMPRIMC-SNVBAGLBSA-N 2 2 321.385 -1.074 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001374139916 920589082 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DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001374677092 920687444 /nfs/dbraw/zinc/68/74/44/920687444.db2.gz JXICOUTZMGGYSS-WDEREUQCSA-N 2 2 311.386 -1.196 20 0 DAADLP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001374678516 920690038 /nfs/dbraw/zinc/69/00/38/920690038.db2.gz UXSMVUPYHJPOGM-LBPRGKRZSA-N 2 2 320.353 -1.051 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001374682471 920690995 /nfs/dbraw/zinc/69/09/95/920690995.db2.gz XGXSGSOSWURTJH-LLVKDONJSA-N 2 2 309.370 -1.394 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374684021 920691092 /nfs/dbraw/zinc/69/10/92/920691092.db2.gz KTHAXWSQGPQVCE-LBPRGKRZSA-N 2 2 307.358 -1.413 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001374781478 920709735 /nfs/dbraw/zinc/70/97/35/920709735.db2.gz LHAHCRWHRLAMJX-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001374781456 920710365 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311.386 -1.286 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001376093770 920853931 /nfs/dbraw/zinc/85/39/31/920853931.db2.gz CERJHJAGKKDDDY-ZDUSSCGKSA-N 2 2 313.446 -1.194 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376497597 920957338 /nfs/dbraw/zinc/95/73/38/920957338.db2.gz JECDMKPDHSDNJZ-SWLSCSKDSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376497597 920957350 /nfs/dbraw/zinc/95/73/50/920957350.db2.gz JECDMKPDHSDNJZ-SWLSCSKDSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376497597 920957361 /nfs/dbraw/zinc/95/73/61/920957361.db2.gz JECDMKPDHSDNJZ-SWLSCSKDSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376497597 920957375 /nfs/dbraw/zinc/95/73/75/920957375.db2.gz JECDMKPDHSDNJZ-SWLSCSKDSA-N 2 2 312.414 -1.373 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 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SQSDXBZGIHKMDJ-YPMHNXCESA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001376551908 920979956 /nfs/dbraw/zinc/97/99/56/920979956.db2.gz SQSDXBZGIHKMDJ-YPMHNXCESA-N 2 2 323.397 -1.052 20 0 DAADLP C[N@H+](CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001376642884 921001657 /nfs/dbraw/zinc/00/16/57/921001657.db2.gz PFLGKFCGLWIHCL-ZDUSSCGKSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001376642884 921001667 /nfs/dbraw/zinc/00/16/67/921001667.db2.gz PFLGKFCGLWIHCL-ZDUSSCGKSA-N 2 2 323.397 -1.039 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001376650579 921004770 /nfs/dbraw/zinc/00/47/70/921004770.db2.gz GXMFJFTZRCNRRY-CYBMUJFWSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666491 921013245 /nfs/dbraw/zinc/01/32/45/921013245.db2.gz YPTUPSDCCKAZPX-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666491 921013263 /nfs/dbraw/zinc/01/32/63/921013263.db2.gz YPTUPSDCCKAZPX-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(=O)NC(N)=O ZINC001376756937 921027844 /nfs/dbraw/zinc/02/78/44/921027844.db2.gz LAWIVDCRQPIHAX-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001376838562 921037714 /nfs/dbraw/zinc/03/77/14/921037714.db2.gz HGUJXTZRPQWPET-DGCLKSJQSA-N 2 2 321.381 -1.252 20 0 DAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001376838560 921038074 /nfs/dbraw/zinc/03/80/74/921038074.db2.gz HGUJXTZRPQWPET-AAEUAGOBSA-N 2 2 321.381 -1.252 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001376854029 921043219 /nfs/dbraw/zinc/04/32/19/921043219.db2.gz UHVSPWOCLWQVHN-GHMZBOCLSA-N 2 2 309.370 -1.096 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376854632 921044101 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C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001378180924 921926250 /nfs/dbraw/zinc/92/62/50/921926250.db2.gz FAQHBWRXZOXDSA-NXEZZACHSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001378180924 921926267 /nfs/dbraw/zinc/92/62/67/921926267.db2.gz FAQHBWRXZOXDSA-NXEZZACHSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378180929 921926942 /nfs/dbraw/zinc/92/69/42/921926942.db2.gz FAQHBWRXZOXDSA-ZJUUUORDSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378180929 921926958 /nfs/dbraw/zinc/92/69/58/921926958.db2.gz FAQHBWRXZOXDSA-ZJUUUORDSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378223082 921935302 /nfs/dbraw/zinc/93/53/02/921935302.db2.gz AEAZLXDYOZEWIH-UWVGGRQHSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378223082 921935312 /nfs/dbraw/zinc/93/53/12/921935312.db2.gz AEAZLXDYOZEWIH-UWVGGRQHSA-N 2 2 310.358 -1.097 20 0 DAADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(=O)NC ZINC001378315294 921949719 /nfs/dbraw/zinc/94/97/19/921949719.db2.gz HGZIASYZHBWQRE-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001378891070 922015178 /nfs/dbraw/zinc/01/51/78/922015178.db2.gz JFOCSEWQCGOQDU-GMTAPVOTSA-N 2 2 322.369 -1.049 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379182571 922053245 /nfs/dbraw/zinc/05/32/45/922053245.db2.gz OUSGGPDJUBONFX-DGCLKSJQSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379182571 922053260 /nfs/dbraw/zinc/05/32/60/922053260.db2.gz OUSGGPDJUBONFX-DGCLKSJQSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379184357 922056946 /nfs/dbraw/zinc/05/69/46/922056946.db2.gz RFBZIBDDDIYXQP-DGCLKSJQSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379184357 922056964 /nfs/dbraw/zinc/05/69/64/922056964.db2.gz RFBZIBDDDIYXQP-DGCLKSJQSA-N 2 2 312.370 -1.120 20 0 DAADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001379222414 922082397 /nfs/dbraw/zinc/08/23/97/922082397.db2.gz OYCDAOZSIHKIOH-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379234709 922088416 /nfs/dbraw/zinc/08/84/16/922088416.db2.gz VEUJMMSNGZTRMB-DGCLKSJQSA-N 2 2 323.397 -1.400 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379234704 922090268 /nfs/dbraw/zinc/09/02/68/922090268.db2.gz VEUJMMSNGZTRMB-AAEUAGOBSA-N 2 2 323.397 -1.400 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001379250726 922096989 /nfs/dbraw/zinc/09/69/89/922096989.db2.gz XCLXUALMBWJZMT-DGCLKSJQSA-N 2 2 323.397 -1.065 20 0 DAADLP C[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001379247096 922097212 /nfs/dbraw/zinc/09/72/12/922097212.db2.gz KQKUPLSTJNEVPU-VXGBXAGGSA-N 2 2 311.386 -1.011 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001379276144 922112151 /nfs/dbraw/zinc/11/21/51/922112151.db2.gz JGJBKIURXRWPOP-LBPRGKRZSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001379282205 922116773 /nfs/dbraw/zinc/11/67/73/922116773.db2.gz RPYDXWNFJXBIAX-GHMZBOCLSA-N 2 2 309.370 -1.442 20 0 DAADLP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001379322477 922122564 /nfs/dbraw/zinc/12/25/64/922122564.db2.gz JDZBBLZLMACGGV-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001379322463 922124523 /nfs/dbraw/zinc/12/45/23/922124523.db2.gz JDZBBLZLMACGGV-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368444 922139029 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DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001379376423 922142282 /nfs/dbraw/zinc/14/22/82/922142282.db2.gz XKDXPMWSTHCDJO-UWVGGRQHSA-N 2 2 312.374 -2.231 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001379376423 922142295 /nfs/dbraw/zinc/14/22/95/922142295.db2.gz XKDXPMWSTHCDJO-UWVGGRQHSA-N 2 2 312.374 -2.231 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379379795 922143138 /nfs/dbraw/zinc/14/31/38/922143138.db2.gz CLEQVWLYRAARAP-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379374735 922144270 /nfs/dbraw/zinc/14/42/70/922144270.db2.gz OLLQFCVAUOFEOI-WDEREUQCSA-N 2 2 302.375 -2.480 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379374735 922144277 /nfs/dbraw/zinc/14/42/77/922144277.db2.gz OLLQFCVAUOFEOI-WDEREUQCSA-N 2 2 302.375 -2.480 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379381284 922148609 /nfs/dbraw/zinc/14/86/09/922148609.db2.gz PIKBLTFETZDRBQ-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396434 922156017 /nfs/dbraw/zinc/15/60/17/922156017.db2.gz KYCNOFKZUUQTGI-JOYOIKCWSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396434 922156025 /nfs/dbraw/zinc/15/60/25/922156025.db2.gz KYCNOFKZUUQTGI-JOYOIKCWSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396431 922156224 /nfs/dbraw/zinc/15/62/24/922156224.db2.gz KYCNOFKZUUQTGI-CABZTGNLSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[nH]n1 ZINC001379396431 922156235 /nfs/dbraw/zinc/15/62/35/922156235.db2.gz KYCNOFKZUUQTGI-CABZTGNLSA-N 2 2 324.385 -1.658 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001379470004 922188819 /nfs/dbraw/zinc/18/88/19/922188819.db2.gz QUADOYYZCAFXCZ-GFCCVEGCSA-N 2 2 310.402 -1.276 20 0 DAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC2 ZINC001379482452 922195486 /nfs/dbraw/zinc/19/54/86/922195486.db2.gz VTEFPPIGHYVBQE-QWRGUYRKSA-N 2 2 309.370 -1.694 20 0 DAADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC2 ZINC001379482443 922195696 /nfs/dbraw/zinc/19/56/96/922195696.db2.gz VTEFPPIGHYVBQE-GHMZBOCLSA-N 2 2 309.370 -1.694 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379491900 922199164 /nfs/dbraw/zinc/19/91/64/922199164.db2.gz LQYDMOQABFPMBJ-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379491900 922199174 /nfs/dbraw/zinc/19/91/74/922199174.db2.gz LQYDMOQABFPMBJ-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379491896 922200212 /nfs/dbraw/zinc/20/02/12/922200212.db2.gz LQYDMOQABFPMBJ-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP 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20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379887463 922287568 /nfs/dbraw/zinc/28/75/68/922287568.db2.gz ZMXZAIYDLOEMHH-WDEREUQCSA-N 2 2 309.370 -1.442 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380012717 922320660 /nfs/dbraw/zinc/32/06/60/922320660.db2.gz DWTFXMRCBMERAD-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380012717 922320671 /nfs/dbraw/zinc/32/06/71/922320671.db2.gz DWTFXMRCBMERAD-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380377197 922357620 /nfs/dbraw/zinc/35/76/20/922357620.db2.gz NEZHFQUZBUCJHB-AWEZNQCLSA-N 2 2 322.369 -1.033 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380377197 922357648 /nfs/dbraw/zinc/35/76/48/922357648.db2.gz NEZHFQUZBUCJHB-AWEZNQCLSA-N 2 2 322.369 -1.033 20 0 DAADLP C[C@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001380417730 922359737 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ZINC001380738328 922447894 /nfs/dbraw/zinc/44/78/94/922447894.db2.gz WJCIXVMYESUASF-BBRMVZONSA-N 2 2 324.425 -1.243 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001380738328 922447899 /nfs/dbraw/zinc/44/78/99/922447899.db2.gz WJCIXVMYESUASF-BBRMVZONSA-N 2 2 324.425 -1.243 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380739885 922449429 /nfs/dbraw/zinc/44/94/29/922449429.db2.gz UNFBSWKEIXZIPO-BBRMVZONSA-N 2 2 324.425 -1.086 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380739885 922449437 /nfs/dbraw/zinc/44/94/37/922449437.db2.gz UNFBSWKEIXZIPO-BBRMVZONSA-N 2 2 324.425 -1.086 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001381247552 922514266 /nfs/dbraw/zinc/51/42/66/922514266.db2.gz UICQUZFCNSKIMX-VXGBXAGGSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001381247552 922514283 /nfs/dbraw/zinc/51/42/83/922514283.db2.gz UICQUZFCNSKIMX-VXGBXAGGSA-N 2 2 312.414 -1.103 20 0 DAADLP COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001381693060 922550610 /nfs/dbraw/zinc/55/06/10/922550610.db2.gz VZEYZXJGJQNHSR-CYBMUJFWSA-N 2 2 315.414 -1.358 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001382207411 922619432 /nfs/dbraw/zinc/61/94/32/922619432.db2.gz FLYMRSLPPNTABK-STQMWFEESA-N 2 2 312.418 -1.032 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001382218065 922624872 /nfs/dbraw/zinc/62/48/72/922624872.db2.gz XUJILXCMIHFFBU-MNOVXSKESA-N 2 2 309.370 -1.742 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001382231686 922632390 /nfs/dbraw/zinc/63/23/90/922632390.db2.gz AKEFADMQCHEPNN-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001382267983 922651998 /nfs/dbraw/zinc/65/19/98/922651998.db2.gz RGTJIKQEARMFML-LLVKDONJSA-N 2 2 307.358 -1.679 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001382274924 922658611 /nfs/dbraw/zinc/65/86/11/922658611.db2.gz QMHBNSPBOLQTLJ-GFCCVEGCSA-N 2 2 309.370 -1.463 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C ZINC001382271541 922658902 /nfs/dbraw/zinc/65/89/02/922658902.db2.gz CPFCQEWUVYAQHN-GHMZBOCLSA-N 2 2 311.386 -1.196 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001382283212 922665123 /nfs/dbraw/zinc/66/51/23/922665123.db2.gz HLGVXJVVKSJSAY-VHSXEESVSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001382399783 922722086 /nfs/dbraw/zinc/72/20/86/922722086.db2.gz IIGIUZBLDXHXHR-RYUDHWBXSA-N 2 2 323.397 -1.400 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001382399782 922723749 /nfs/dbraw/zinc/72/37/49/922723749.db2.gz IIGIUZBLDXHXHR-NWDGAFQWSA-N 2 2 323.397 -1.400 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001382416079 922734293 /nfs/dbraw/zinc/73/42/93/922734293.db2.gz XHBGEOXXXNRXRU-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP CN(C[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001382435984 922746908 /nfs/dbraw/zinc/74/69/08/922746908.db2.gz FKQMWRYAOHFKOR-SNVBAGLBSA-N 2 2 323.357 -2.086 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382443394 922756070 /nfs/dbraw/zinc/75/60/70/922756070.db2.gz ZEIMQTFIAFMABA-PWSUYJOCSA-N 2 2 311.386 -1.365 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382952788 922854304 /nfs/dbraw/zinc/85/43/04/922854304.db2.gz LMEPRPNRGJVIRU-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001382952788 922854314 /nfs/dbraw/zinc/85/43/14/922854314.db2.gz LMEPRPNRGJVIRU-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890698 922960344 /nfs/dbraw/zinc/96/03/44/922960344.db2.gz HWXXQYHFTKMFJP-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC001383890698 922960351 /nfs/dbraw/zinc/96/03/51/922960351.db2.gz HWXXQYHFTKMFJP-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383955128 922990244 /nfs/dbraw/zinc/99/02/44/922990244.db2.gz RLTXYKFWNRQHCK-GFCCVEGCSA-N 2 2 311.386 -1.183 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383955128 922990256 /nfs/dbraw/zinc/99/02/56/922990256.db2.gz RLTXYKFWNRQHCK-GFCCVEGCSA-N 2 2 311.386 -1.183 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001383951228 922990451 /nfs/dbraw/zinc/99/04/51/922990451.db2.gz INRICCYMPGZFKC-CYBMUJFWSA-N 2 2 323.397 -1.182 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001384024216 923030533 /nfs/dbraw/zinc/03/05/33/923030533.db2.gz SFNSPGAAKURVHQ-CHWSQXEVSA-N 2 2 323.397 -1.089 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001384024216 923030543 /nfs/dbraw/zinc/03/05/43/923030543.db2.gz SFNSPGAAKURVHQ-CHWSQXEVSA-N 2 2 323.397 -1.089 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001384224397 923066649 /nfs/dbraw/zinc/06/66/49/923066649.db2.gz KLWAIGFZWSKWDY-WCQYABFASA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384224397 923066668 /nfs/dbraw/zinc/06/66/68/923066668.db2.gz KLWAIGFZWSKWDY-WCQYABFASA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)C[NH+]1CCCC1 ZINC001384225473 923068136 /nfs/dbraw/zinc/06/81/36/923068136.db2.gz OIBGTPXGNTXQOR-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001384823913 923130154 /nfs/dbraw/zinc/13/01/54/923130154.db2.gz FAPBLBWUZRPUAT-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001385119429 923145275 /nfs/dbraw/zinc/14/52/75/923145275.db2.gz ZAMRIAHPALVLNX-STQMWFEESA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001385119427 923145355 /nfs/dbraw/zinc/14/53/55/923145355.db2.gz ZAMRIAHPALVLNX-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCCN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001389432833 923621737 /nfs/dbraw/zinc/62/17/37/923621737.db2.gz CYZZRAVWWCTEQN-UONOGXRCSA-N 2 2 323.441 -1.440 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCCN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001389432833 923621752 /nfs/dbraw/zinc/62/17/52/923621752.db2.gz CYZZRAVWWCTEQN-UONOGXRCSA-N 2 2 323.441 -1.440 20 0 DAADLP CC[N@H+](C)CCC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001389430868 923622814 /nfs/dbraw/zinc/62/28/14/923622814.db2.gz UCVWPOMIQOKYLV-CYBMUJFWSA-N 2 2 313.446 -1.064 20 0 DAADLP CC[N@@H+](C)CCC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001389430868 923622821 /nfs/dbraw/zinc/62/28/21/923622821.db2.gz UCVWPOMIQOKYLV-CYBMUJFWSA-N 2 2 313.446 -1.064 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514150 923638659 /nfs/dbraw/zinc/63/86/59/923638659.db2.gz SIHSMDNRUOFJLI-NEPJUHHUSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514150 923638668 /nfs/dbraw/zinc/63/86/68/923638668.db2.gz SIHSMDNRUOFJLI-NEPJUHHUSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514150 923638678 /nfs/dbraw/zinc/63/86/78/923638678.db2.gz SIHSMDNRUOFJLI-NEPJUHHUSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514150 923638689 /nfs/dbraw/zinc/63/86/89/923638689.db2.gz SIHSMDNRUOFJLI-NEPJUHHUSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514209 923638845 /nfs/dbraw/zinc/63/88/45/923638845.db2.gz SIHSMDNRUOFJLI-VXGBXAGGSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514209 923638851 /nfs/dbraw/zinc/63/88/51/923638851.db2.gz SIHSMDNRUOFJLI-VXGBXAGGSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514209 923638861 /nfs/dbraw/zinc/63/88/61/923638861.db2.gz SIHSMDNRUOFJLI-VXGBXAGGSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514209 923638870 /nfs/dbraw/zinc/63/88/70/923638870.db2.gz SIHSMDNRUOFJLI-VXGBXAGGSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001389783798 923679786 /nfs/dbraw/zinc/67/97/86/923679786.db2.gz SZXRXXMRKSLXHU-NWDGAFQWSA-N 2 2 319.427 -1.448 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001389783798 923679801 /nfs/dbraw/zinc/67/98/01/923679801.db2.gz SZXRXXMRKSLXHU-NWDGAFQWSA-N 2 2 319.427 -1.448 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001389811895 923682855 /nfs/dbraw/zinc/68/28/55/923682855.db2.gz GLWATWBKUHLNSD-ZJUUUORDSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001390460743 923744353 /nfs/dbraw/zinc/74/43/53/923744353.db2.gz RNHHNUHFMRRSDU-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001390474515 923747477 /nfs/dbraw/zinc/74/74/77/923747477.db2.gz DRFWNAQMVFGWTA-OPRDCNLKSA-N 2 2 322.369 -1.187 20 0 DAADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)NC(N)=O ZINC001390566134 923758095 /nfs/dbraw/zinc/75/80/95/923758095.db2.gz OGLUXDAPYTXIGS-BDAKNGLRSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001390584648 923762193 /nfs/dbraw/zinc/76/21/93/923762193.db2.gz GQZSKVYNKAQRCR-ZJUUUORDSA-N 2 2 322.369 -1.026 20 0 DAADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H](O)CN1CCCC1=O ZINC001390821360 923784277 /nfs/dbraw/zinc/78/42/77/923784277.db2.gz ASLGFAGHNHQOEQ-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H](O)CN1CCCC1=O ZINC001390821360 923784287 /nfs/dbraw/zinc/78/42/87/923784287.db2.gz ASLGFAGHNHQOEQ-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391588482 923859893 /nfs/dbraw/zinc/85/98/93/923859893.db2.gz QCNISRDODZCKOS-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391588482 923859903 /nfs/dbraw/zinc/85/99/03/923859903.db2.gz QCNISRDODZCKOS-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391588482 923859914 /nfs/dbraw/zinc/85/99/14/923859914.db2.gz QCNISRDODZCKOS-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391588482 923859925 /nfs/dbraw/zinc/85/99/25/923859925.db2.gz QCNISRDODZCKOS-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391595126 923863446 /nfs/dbraw/zinc/86/34/46/923863446.db2.gz FJPJIRHGGWLNDV-SNVBAGLBSA-N 2 2 308.342 -1.423 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391595126 923863460 /nfs/dbraw/zinc/86/34/60/923863460.db2.gz FJPJIRHGGWLNDV-SNVBAGLBSA-N 2 2 308.342 -1.423 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001391594909 923864065 /nfs/dbraw/zinc/86/40/65/923864065.db2.gz YMPWDKKPGBDSNP-LLVKDONJSA-N 2 2 323.397 -1.272 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001391594909 923864076 /nfs/dbraw/zinc/86/40/76/923864076.db2.gz YMPWDKKPGBDSNP-LLVKDONJSA-N 2 2 323.397 -1.272 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391988206 923899061 /nfs/dbraw/zinc/89/90/61/923899061.db2.gz POMSNACSRAJPKV-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001391988206 923899070 /nfs/dbraw/zinc/89/90/70/923899070.db2.gz POMSNACSRAJPKV-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001391988206 923899077 /nfs/dbraw/zinc/89/90/77/923899077.db2.gz POMSNACSRAJPKV-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391988206 923899086 /nfs/dbraw/zinc/89/90/86/923899086.db2.gz POMSNACSRAJPKV-MELADBBJSA-N 2 2 315.414 -1.095 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001392131712 923940430 /nfs/dbraw/zinc/94/04/30/923940430.db2.gz TVCBRRVSMDJLLL-ZDUSSCGKSA-N 2 2 323.397 -1.182 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392141797 923941196 /nfs/dbraw/zinc/94/11/96/923941196.db2.gz NQAGHCINLRKFKY-JTQLQIEISA-N 2 2 310.358 -1.225 20 0 DAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001392364495 923975841 /nfs/dbraw/zinc/97/58/41/923975841.db2.gz LJSCBMFWEGQBNU-NEPJUHHUSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001392364495 923975852 /nfs/dbraw/zinc/97/58/52/923975852.db2.gz LJSCBMFWEGQBNU-NEPJUHHUSA-N 2 2 312.374 -2.288 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392379177 923992287 /nfs/dbraw/zinc/99/22/87/923992287.db2.gz IOXKYOHVVKHFQH-NEPJUHHUSA-N 2 2 323.397 -1.352 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001392390150 924000963 /nfs/dbraw/zinc/00/09/63/924000963.db2.gz QAADIEMSJJZYRP-NSHDSACASA-N 2 2 311.386 -1.261 20 0 DAADLP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001392417263 924022224 /nfs/dbraw/zinc/02/22/24/924022224.db2.gz CKCKBNNHPFAXBQ-NXEZZACHSA-N 2 2 314.390 -1.985 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001392423178 924026138 /nfs/dbraw/zinc/02/61/38/924026138.db2.gz PRWRFJBGHFNQKY-ZDUSSCGKSA-N 2 2 321.385 -1.252 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392434204 924030854 /nfs/dbraw/zinc/03/08/54/924030854.db2.gz WKPBDIULSACTPK-VXGBXAGGSA-N 2 2 309.370 -1.429 20 0 DAADLP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001392463577 924032631 /nfs/dbraw/zinc/03/26/31/924032631.db2.gz UKVJLDJQVSBUEL-SNVBAGLBSA-N 2 2 324.385 -1.016 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001393263737 924143842 /nfs/dbraw/zinc/14/38/42/924143842.db2.gz PFGYTSMJULPUJZ-DOMZBBRYSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001393263737 924143855 /nfs/dbraw/zinc/14/38/55/924143855.db2.gz PFGYTSMJULPUJZ-DOMZBBRYSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001393263737 924143860 /nfs/dbraw/zinc/14/38/60/924143860.db2.gz PFGYTSMJULPUJZ-DOMZBBRYSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393263737 924143868 /nfs/dbraw/zinc/14/38/68/924143868.db2.gz PFGYTSMJULPUJZ-DOMZBBRYSA-N 2 2 312.414 -1.278 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001393288690 924156410 /nfs/dbraw/zinc/15/64/10/924156410.db2.gz DWENEJKLNASJQI-IUODEOHRSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393288690 924156420 /nfs/dbraw/zinc/15/64/20/924156420.db2.gz DWENEJKLNASJQI-IUODEOHRSA-N 2 2 321.381 -1.285 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289883 924158001 /nfs/dbraw/zinc/15/80/01/924158001.db2.gz KGTYQTBYTHITFT-IAQYHMDHSA-N 2 2 323.397 -1.221 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001393289883 924158012 /nfs/dbraw/zinc/15/80/12/924158012.db2.gz KGTYQTBYTHITFT-IAQYHMDHSA-N 2 2 323.397 -1.221 20 0 DAADLP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393428819 924200615 /nfs/dbraw/zinc/20/06/15/924200615.db2.gz NMUGOEDLAYMQMP-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393428819 924200629 /nfs/dbraw/zinc/20/06/29/924200629.db2.gz NMUGOEDLAYMQMP-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001393428819 924200641 /nfs/dbraw/zinc/20/06/41/924200641.db2.gz NMUGOEDLAYMQMP-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001393428819 924200651 /nfs/dbraw/zinc/20/06/51/924200651.db2.gz NMUGOEDLAYMQMP-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427022 924202450 /nfs/dbraw/zinc/20/24/50/924202450.db2.gz KGAYUIVBNLOVGW-JSGCOSHPSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427022 924202460 /nfs/dbraw/zinc/20/24/60/924202460.db2.gz KGAYUIVBNLOVGW-JSGCOSHPSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001393427022 924202472 /nfs/dbraw/zinc/20/24/72/924202472.db2.gz KGAYUIVBNLOVGW-JSGCOSHPSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427022 924202485 /nfs/dbraw/zinc/20/24/85/924202485.db2.gz KGAYUIVBNLOVGW-JSGCOSHPSA-N 2 2 301.387 -1.748 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001393457997 924209893 /nfs/dbraw/zinc/20/98/93/924209893.db2.gz FENQQSLEQLKINM-LBPRGKRZSA-N 2 2 323.397 -1.348 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001393471133 924212817 /nfs/dbraw/zinc/21/28/17/924212817.db2.gz ZDAIBYJJQSWRHN-GFCCVEGCSA-N 2 2 309.370 -1.359 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001393581403 924230127 /nfs/dbraw/zinc/23/01/27/924230127.db2.gz ARGQCEHCSMSMTM-CHWSQXEVSA-N 2 2 312.370 -1.293 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393714121 924249343 /nfs/dbraw/zinc/24/93/43/924249343.db2.gz WDVDWHJDKMSJKG-HNNXBMFYSA-N 2 2 323.397 -1.086 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047527 924275122 /nfs/dbraw/zinc/27/51/22/924275122.db2.gz OATNOQOILTZWQF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047527 924275131 /nfs/dbraw/zinc/27/51/31/924275131.db2.gz OATNOQOILTZWQF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047527 924275141 /nfs/dbraw/zinc/27/51/41/924275141.db2.gz OATNOQOILTZWQF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047527 924275151 /nfs/dbraw/zinc/27/51/51/924275151.db2.gz OATNOQOILTZWQF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139992 924283043 /nfs/dbraw/zinc/28/30/43/924283043.db2.gz JYCLAFGWNLRUOU-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139992 924283052 /nfs/dbraw/zinc/28/30/52/924283052.db2.gz JYCLAFGWNLRUOU-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)C1 ZINC001394139992 924283060 /nfs/dbraw/zinc/28/30/60/924283060.db2.gz JYCLAFGWNLRUOU-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)C1 ZINC001394139992 924283070 /nfs/dbraw/zinc/28/30/70/924283070.db2.gz JYCLAFGWNLRUOU-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001394167445 924289601 /nfs/dbraw/zinc/28/96/01/924289601.db2.gz WOVRVJIARDACJO-CHWSQXEVSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001394167445 924289605 /nfs/dbraw/zinc/28/96/05/924289605.db2.gz WOVRVJIARDACJO-CHWSQXEVSA-N 2 2 315.414 -1.502 20 0 DAADLP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001394321123 924298252 /nfs/dbraw/zinc/29/82/52/924298252.db2.gz BBJYSWIITYJWAB-WDEREUQCSA-N 2 2 309.370 -1.096 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573736 924314264 /nfs/dbraw/zinc/31/42/64/924314264.db2.gz UGYCFUWJKDOYNJ-ZIAGYGMSSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573736 924314269 /nfs/dbraw/zinc/31/42/69/924314269.db2.gz UGYCFUWJKDOYNJ-ZIAGYGMSSA-N 2 2 308.382 -1.021 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001394611164 924338605 /nfs/dbraw/zinc/33/86/05/924338605.db2.gz SMGYUIFQLCJBIC-NSHDSACASA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001394611164 924338612 /nfs/dbraw/zinc/33/86/12/924338612.db2.gz SMGYUIFQLCJBIC-NSHDSACASA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001394617129 924342511 /nfs/dbraw/zinc/34/25/11/924342511.db2.gz HAKOKPGGNWMSHH-ZDUSSCGKSA-N 2 2 310.402 -1.276 20 0 DAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C2 ZINC001394637566 924348500 /nfs/dbraw/zinc/34/85/00/924348500.db2.gz QJMVUSYQBASSFH-MNOVXSKESA-N 2 2 309.370 -1.694 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001394658661 924358853 /nfs/dbraw/zinc/35/88/53/924358853.db2.gz MFTCZHKMKKGSRK-LLVKDONJSA-N 2 2 310.358 -2.025 20 0 DAADLP C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001394667639 924359024 /nfs/dbraw/zinc/35/90/24/924359024.db2.gz HOSNGKRDLSUXKY-PSASIEDQSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001394667655 924359251 /nfs/dbraw/zinc/35/92/51/924359251.db2.gz HOSNGKRDLSUXKY-WCBMZHEXSA-N 2 2 308.342 -1.274 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001394759336 924381632 /nfs/dbraw/zinc/38/16/32/924381632.db2.gz SRODYXPJIWOJDC-RYUDHWBXSA-N 2 2 309.370 -1.740 20 0 DAADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791376 924392074 /nfs/dbraw/zinc/39/20/74/924392074.db2.gz OIZAHWQLFJHHPY-NWDGAFQWSA-N 2 2 311.386 -1.102 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394791376 924392077 /nfs/dbraw/zinc/39/20/77/924392077.db2.gz OIZAHWQLFJHHPY-NWDGAFQWSA-N 2 2 311.386 -1.102 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C ZINC001395780248 924473107 /nfs/dbraw/zinc/47/31/07/924473107.db2.gz UNOSRSYTUDYLLM-NSHDSACASA-N 2 2 311.386 -1.194 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817073 924485759 /nfs/dbraw/zinc/48/57/59/924485759.db2.gz JMKFUCWYEMTZSV-JQWIXIFHSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817073 924485765 /nfs/dbraw/zinc/48/57/65/924485765.db2.gz JMKFUCWYEMTZSV-JQWIXIFHSA-N 2 2 309.370 -1.503 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001395826456 924486141 /nfs/dbraw/zinc/48/61/41/924486141.db2.gz NNACJFSAGBVYPX-KGYLQXTDSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001395826456 924486146 /nfs/dbraw/zinc/48/61/46/924486146.db2.gz NNACJFSAGBVYPX-KGYLQXTDSA-N 2 2 323.397 -1.114 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O)[NH+](C)C ZINC001396387474 924517285 /nfs/dbraw/zinc/51/72/85/924517285.db2.gz IJDIRTMWZQDQBT-FRRDWIJNSA-N 2 2 323.397 -1.089 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC001396390779 924519182 /nfs/dbraw/zinc/51/91/82/924519182.db2.gz HVSHYSXFMPMBOC-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397677301 924595422 /nfs/dbraw/zinc/59/54/22/924595422.db2.gz PWTVCZCIXHVQAC-MGCOHNPYSA-N 2 2 322.369 -1.108 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001397756325 924598279 /nfs/dbraw/zinc/59/82/79/924598279.db2.gz STRUMNCYOXPMLE-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001397756325 924598286 /nfs/dbraw/zinc/59/82/86/924598286.db2.gz STRUMNCYOXPMLE-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001398618289 924657443 /nfs/dbraw/zinc/65/74/43/924657443.db2.gz VCDJRVBIZSNOLP-DTORHVGOSA-N 2 2 308.342 -1.355 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001399129365 924691681 /nfs/dbraw/zinc/69/16/81/924691681.db2.gz YMQWMUBAANHXOB-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001399525764 924707789 /nfs/dbraw/zinc/70/77/89/924707789.db2.gz RNAZCGDGHTYBME-UHFFFAOYSA-N 2 2 317.415 -1.211 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001399525764 924707795 /nfs/dbraw/zinc/70/77/95/924707795.db2.gz RNAZCGDGHTYBME-UHFFFAOYSA-N 2 2 317.415 -1.211 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001399641399 924712804 /nfs/dbraw/zinc/71/28/04/924712804.db2.gz BXYUVZGWRJUTIZ-RYUDHWBXSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001399641399 924712811 /nfs/dbraw/zinc/71/28/11/924712811.db2.gz BXYUVZGWRJUTIZ-RYUDHWBXSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001399817844 924738683 /nfs/dbraw/zinc/73/86/83/924738683.db2.gz BFLOKPDJGNKYEY-IJLUTSLNSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001399817844 924738696 /nfs/dbraw/zinc/73/86/96/924738696.db2.gz BFLOKPDJGNKYEY-IJLUTSLNSA-N 2 2 323.397 -1.114 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400630749 924818449 /nfs/dbraw/zinc/81/84/49/924818449.db2.gz MLLMALASMRBMQG-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400630749 924818460 /nfs/dbraw/zinc/81/84/60/924818460.db2.gz MLLMALASMRBMQG-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400742025 924828660 /nfs/dbraw/zinc/82/86/60/924828660.db2.gz RVXVLZFNJCHCOW-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400742025 924828662 /nfs/dbraw/zinc/82/86/62/924828662.db2.gz RVXVLZFNJCHCOW-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001401169126 924846607 /nfs/dbraw/zinc/84/66/07/924846607.db2.gz NHYUJIKKCAVLRS-ZDUSSCGKSA-N 2 2 301.387 -1.482 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001401169126 924846621 /nfs/dbraw/zinc/84/66/21/924846621.db2.gz NHYUJIKKCAVLRS-ZDUSSCGKSA-N 2 2 301.387 -1.482 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401257219 924854272 /nfs/dbraw/zinc/85/42/72/924854272.db2.gz QPTYBBSWHDLCRF-SECBINFHSA-N 2 2 310.358 -1.406 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401492502 924865691 /nfs/dbraw/zinc/86/56/91/924865691.db2.gz IDTRPGLZGPQXTL-RYUDHWBXSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401492502 924865698 /nfs/dbraw/zinc/86/56/98/924865698.db2.gz IDTRPGLZGPQXTL-RYUDHWBXSA-N 2 2 323.401 -1.331 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001401500510 924869478 /nfs/dbraw/zinc/86/94/78/924869478.db2.gz DIANRLLGCLFWBF-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001401500510 924869485 /nfs/dbraw/zinc/86/94/85/924869485.db2.gz DIANRLLGCLFWBF-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001401500518 924869753 /nfs/dbraw/zinc/86/97/53/924869753.db2.gz DIANRLLGCLFWBF-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001401500518 924869759 /nfs/dbraw/zinc/86/97/59/924869759.db2.gz DIANRLLGCLFWBF-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401536062 924876815 /nfs/dbraw/zinc/87/68/15/924876815.db2.gz IJNVBEORPBARNM-WDEREUQCSA-N 2 2 311.390 -1.739 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401536062 924876828 /nfs/dbraw/zinc/87/68/28/924876828.db2.gz IJNVBEORPBARNM-WDEREUQCSA-N 2 2 311.390 -1.739 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401536056 924877836 /nfs/dbraw/zinc/87/78/36/924877836.db2.gz IJNVBEORPBARNM-MNOVXSKESA-N 2 2 311.390 -1.739 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401536056 924877841 /nfs/dbraw/zinc/87/78/41/924877841.db2.gz IJNVBEORPBARNM-MNOVXSKESA-N 2 2 311.390 -1.739 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401536054 924878252 /nfs/dbraw/zinc/87/82/52/924878252.db2.gz IJNVBEORPBARNM-GHMZBOCLSA-N 2 2 311.390 -1.739 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401536054 924878258 /nfs/dbraw/zinc/87/82/58/924878258.db2.gz IJNVBEORPBARNM-GHMZBOCLSA-N 2 2 311.390 -1.739 20 0 DAADLP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)cc1=O ZINC001401564006 924892153 /nfs/dbraw/zinc/89/21/53/924892153.db2.gz DSAIHHNLONLSAQ-ZDUSSCGKSA-N 2 2 319.365 -1.082 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401566344 924895059 /nfs/dbraw/zinc/89/50/59/924895059.db2.gz GPBYHDOZGZRJHG-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001401573836 924895792 /nfs/dbraw/zinc/89/57/92/924895792.db2.gz OFWXEZPCQMVGKW-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401596309 924902811 /nfs/dbraw/zinc/90/28/11/924902811.db2.gz ISAOMBXUJKJWBL-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401596309 924902818 /nfs/dbraw/zinc/90/28/18/924902818.db2.gz ISAOMBXUJKJWBL-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C(=O)NC1CC1 ZINC001401590736 924903569 /nfs/dbraw/zinc/90/35/69/924903569.db2.gz WLIPMCLCMGJRCE-GWCFXTLKSA-N 2 2 323.397 -1.304 20 0 DAADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401596313 924904219 /nfs/dbraw/zinc/90/42/19/924904219.db2.gz ISAOMBXUJKJWBL-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401596313 924904226 /nfs/dbraw/zinc/90/42/26/924904226.db2.gz ISAOMBXUJKJWBL-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001401727743 924919218 /nfs/dbraw/zinc/91/92/18/924919218.db2.gz MICWKMGLJLONMR-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402062735 924943063 /nfs/dbraw/zinc/94/30/63/924943063.db2.gz SHPHJARISJQQLL-JTQLQIEISA-N 2 2 308.342 -1.272 20 0 DAADLP C[NH+](C)CCC(=O)NCC[NH+]1CCN(CCn2cncn2)CC1 ZINC001402122636 924947572 /nfs/dbraw/zinc/94/75/72/924947572.db2.gz SNDVYSACROMCTB-UHFFFAOYSA-N 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ZINC001403858499 925156237 /nfs/dbraw/zinc/15/62/37/925156237.db2.gz WMGVGVYZYDWQEG-WDEREUQCSA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403864040 925157098 /nfs/dbraw/zinc/15/70/98/925157098.db2.gz AVCGGIXCTABLKB-RYUDHWBXSA-N 2 2 309.370 -1.408 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403864036 925157202 /nfs/dbraw/zinc/15/72/02/925157202.db2.gz AVCGGIXCTABLKB-NWDGAFQWSA-N 2 2 309.370 -1.408 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403865031 925157301 /nfs/dbraw/zinc/15/73/01/925157301.db2.gz CHSPURUHTZQFAL-LBPRGKRZSA-N 2 2 311.386 -1.114 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001403896674 925166378 /nfs/dbraw/zinc/16/63/78/925166378.db2.gz LFQICLBBFFOCHD-QWHCGFSZSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001403896674 925166390 /nfs/dbraw/zinc/16/63/90/925166390.db2.gz LFQICLBBFFOCHD-QWHCGFSZSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403896556 925168450 /nfs/dbraw/zinc/16/84/50/925168450.db2.gz KUDPGFKYAJZPRX-VXGBXAGGSA-N 2 2 311.386 -1.184 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403896556 925168458 /nfs/dbraw/zinc/16/84/58/925168458.db2.gz KUDPGFKYAJZPRX-VXGBXAGGSA-N 2 2 311.386 -1.184 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403913011 925173396 /nfs/dbraw/zinc/17/33/96/925173396.db2.gz DIHKZJUFZQQIEO-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403913011 925173402 /nfs/dbraw/zinc/17/34/02/925173402.db2.gz DIHKZJUFZQQIEO-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403915519 925174015 /nfs/dbraw/zinc/17/40/15/925174015.db2.gz HSHRTNWLGRTTSV-CMPLNLGQSA-N 2 2 311.386 -1.162 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403915519 925174022 /nfs/dbraw/zinc/17/40/22/925174022.db2.gz HSHRTNWLGRTTSV-CMPLNLGQSA-N 2 2 311.386 -1.162 20 0 DAADLP C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404545437 925204239 /nfs/dbraw/zinc/20/42/39/925204239.db2.gz PELRSWRTMUCYED-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001404604753 925207298 /nfs/dbraw/zinc/20/72/98/925207298.db2.gz QGRYQSHOWLXERN-LLVKDONJSA-N 2 2 322.369 -1.142 20 0 DAADLP C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001404604753 925207307 /nfs/dbraw/zinc/20/73/07/925207307.db2.gz QGRYQSHOWLXERN-LLVKDONJSA-N 2 2 322.369 -1.142 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001404875976 925222708 /nfs/dbraw/zinc/22/27/08/925222708.db2.gz NPLDAFVRMJGEFN-ONGXEEELSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001404875976 925222719 /nfs/dbraw/zinc/22/27/19/925222719.db2.gz NPLDAFVRMJGEFN-ONGXEEELSA-N 2 2 311.386 -1.288 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001404910288 925225504 /nfs/dbraw/zinc/22/55/04/925225504.db2.gz LHGFCYRDMZEQMC-ZDUSSCGKSA-N 2 2 310.398 -1.355 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001404911581 925225516 /nfs/dbraw/zinc/22/55/16/925225516.db2.gz ZCCHWDMFFNSFTR-JTQLQIEISA-N 2 2 313.402 -1.170 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334827 925290170 /nfs/dbraw/zinc/29/01/70/925290170.db2.gz LRFLZORHFCWSLI-NEPJUHHUSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334827 925290179 /nfs/dbraw/zinc/29/01/79/925290179.db2.gz LRFLZORHFCWSLI-NEPJUHHUSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001405399727 925307586 /nfs/dbraw/zinc/30/75/86/925307586.db2.gz POTPHSRPBBOYGP-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001405399727 925307598 /nfs/dbraw/zinc/30/75/98/925307598.db2.gz POTPHSRPBBOYGP-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001405399734 925308738 /nfs/dbraw/zinc/30/87/38/925308738.db2.gz POTPHSRPBBOYGP-OLZOCXBDSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001405399734 925308745 /nfs/dbraw/zinc/30/87/45/925308745.db2.gz POTPHSRPBBOYGP-OLZOCXBDSA-N 2 2 323.397 -1.182 20 0 DAADLP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001405435269 925310153 /nfs/dbraw/zinc/31/01/53/925310153.db2.gz HKQJNGRMYHRDJM-SWLSCSKDSA-N 2 2 312.414 -1.063 20 0 DAADLP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001405435269 925310162 /nfs/dbraw/zinc/31/01/62/925310162.db2.gz HKQJNGRMYHRDJM-SWLSCSKDSA-N 2 2 312.414 -1.063 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001406083192 925342202 /nfs/dbraw/zinc/34/22/02/925342202.db2.gz JPBMAMGDJIHPTL-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001406083192 925342212 /nfs/dbraw/zinc/34/22/12/925342212.db2.gz JPBMAMGDJIHPTL-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406083192 925342222 /nfs/dbraw/zinc/34/22/22/925342222.db2.gz JPBMAMGDJIHPTL-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406083192 925342232 /nfs/dbraw/zinc/34/22/32/925342232.db2.gz JPBMAMGDJIHPTL-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001406083197 925343630 /nfs/dbraw/zinc/34/36/30/925343630.db2.gz JPBMAMGDJIHPTL-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001406083197 925343639 /nfs/dbraw/zinc/34/36/39/925343639.db2.gz JPBMAMGDJIHPTL-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406083197 925343647 /nfs/dbraw/zinc/34/36/47/925343647.db2.gz JPBMAMGDJIHPTL-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406083197 925343659 /nfs/dbraw/zinc/34/36/59/925343659.db2.gz JPBMAMGDJIHPTL-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406223272 925362235 /nfs/dbraw/zinc/36/22/35/925362235.db2.gz YIQXOTUACPNPCU-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406223272 925362239 /nfs/dbraw/zinc/36/22/39/925362239.db2.gz YIQXOTUACPNPCU-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001406223443 925362614 /nfs/dbraw/zinc/36/26/14/925362614.db2.gz YPSLCTVUQOBVGC-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001406223443 925362624 /nfs/dbraw/zinc/36/26/24/925362624.db2.gz YPSLCTVUQOBVGC-AAEUAGOBSA-N 2 2 312.370 -1.120 20 0 DAADLP O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)c1cccc2[nH+]ccn21 ZINC001406252514 925376251 /nfs/dbraw/zinc/37/62/51/925376251.db2.gz XYOOUPADEWRBDE-GHMZBOCLSA-N 2 2 317.349 -1.097 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001406272026 925388101 /nfs/dbraw/zinc/38/81/01/925388101.db2.gz CPDABAOJRVNSAT-VXGBXAGGSA-N 2 2 323.397 -1.052 20 0 DAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2c[nH+]cn2C)nn1 ZINC001406287860 925394226 /nfs/dbraw/zinc/39/42/26/925394226.db2.gz TYCQCFHPIYUMKP-CYBMUJFWSA-N 2 2 321.385 -1.252 20 0 DAADLP CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001406294193 925400021 /nfs/dbraw/zinc/40/00/21/925400021.db2.gz UFPIBHIBTMDDAL-MNOVXSKESA-N 2 2 309.370 -1.360 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001406375987 925406614 /nfs/dbraw/zinc/40/66/14/925406614.db2.gz HFNUPCAHPBSLOS-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406414770 925414893 /nfs/dbraw/zinc/41/48/93/925414893.db2.gz UNPYEDPFYUPHOT-SNVBAGLBSA-N 2 2 322.369 -1.995 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406692618 925428703 /nfs/dbraw/zinc/42/87/03/925428703.db2.gz CKSHURARYTUKGS-VIFPVBQESA-N 2 2 310.358 -1.177 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406692618 925428707 /nfs/dbraw/zinc/42/87/07/925428707.db2.gz CKSHURARYTUKGS-VIFPVBQESA-N 2 2 310.358 -1.177 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001407382370 925476323 /nfs/dbraw/zinc/47/63/23/925476323.db2.gz GYOUACALUSUEPP-IUODEOHRSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001407382370 925476330 /nfs/dbraw/zinc/47/63/30/925476330.db2.gz GYOUACALUSUEPP-IUODEOHRSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001407382370 925476338 /nfs/dbraw/zinc/47/63/38/925476338.db2.gz GYOUACALUSUEPP-IUODEOHRSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001407382370 925476343 /nfs/dbraw/zinc/47/63/43/925476343.db2.gz GYOUACALUSUEPP-IUODEOHRSA-N 2 2 322.413 -1.180 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001407468032 925497113 /nfs/dbraw/zinc/49/71/13/925497113.db2.gz JBRUWTBSAWFBOM-CYBMUJFWSA-N 2 2 315.414 -1.500 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001407648827 925514828 /nfs/dbraw/zinc/51/48/28/925514828.db2.gz BPDDCEJEGVSJOZ-LLVKDONJSA-N 2 2 311.386 -1.161 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001408103663 925547601 /nfs/dbraw/zinc/54/76/01/925547601.db2.gz ZOYMNVMWXFNVCN-KOLCDFICSA-N 2 2 322.369 -1.156 20 0 DAADLP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001410143472 925693991 /nfs/dbraw/zinc/69/39/91/925693991.db2.gz JOLHVZSRBKJDQX-WCQYABFASA-N 2 2 323.397 -1.086 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001410653603 925747690 /nfs/dbraw/zinc/74/76/90/925747690.db2.gz JOUHLOVPJSUTDU-KGLIPLIRSA-N 2 2 322.413 -1.276 20 0 DAADLP CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001410692485 925759158 /nfs/dbraw/zinc/75/91/58/925759158.db2.gz FBDMYVLSUOFVPD-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001410692496 925759923 /nfs/dbraw/zinc/75/99/23/925759923.db2.gz FBDMYVLSUOFVPD-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001410718101 925765979 /nfs/dbraw/zinc/76/59/79/925765979.db2.gz FBLRUROJEUNTFS-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)cc1=O ZINC001410723292 925766522 /nfs/dbraw/zinc/76/65/22/925766522.db2.gz KXGDSBXZNMLYHS-ZDUSSCGKSA-N 2 2 319.365 -1.082 20 0 DAADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)cc1=O ZINC001410723251 925768076 /nfs/dbraw/zinc/76/80/76/925768076.db2.gz KXGDSBXZNMLYHS-CYBMUJFWSA-N 2 2 319.365 -1.082 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001410748082 925771927 /nfs/dbraw/zinc/77/19/27/925771927.db2.gz FMPPPZKOCTYOAT-LBPRGKRZSA-N 2 2 323.397 -1.348 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410784465 925779718 /nfs/dbraw/zinc/77/97/18/925779718.db2.gz SBIKGECRDSIUFV-PWSUYJOCSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410784055 925780951 /nfs/dbraw/zinc/78/09/51/925780951.db2.gz SBIKGECRDSIUFV-CMPLNLGQSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001410780992 925781127 /nfs/dbraw/zinc/78/11/27/925781127.db2.gz NDYLRJJAJSSEII-LLVKDONJSA-N 2 2 321.385 -1.252 20 0 DAADLP CCn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410792168 925784821 /nfs/dbraw/zinc/78/48/21/925784821.db2.gz RJMBNCZBWWHOSK-LBPRGKRZSA-N 2 2 310.402 -1.040 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001410793985 925785122 /nfs/dbraw/zinc/78/51/22/925785122.db2.gz UXFDURQCWZDFEK-ZJUUUORDSA-N 2 2 312.374 -2.373 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793985 925785131 /nfs/dbraw/zinc/78/51/31/925785131.db2.gz UXFDURQCWZDFEK-ZJUUUORDSA-N 2 2 312.374 -2.373 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001411047481 925805565 /nfs/dbraw/zinc/80/55/65/925805565.db2.gz JGJLIUPTMAAPMA-NSHDSACASA-N 2 2 322.373 -1.676 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001411120088 925813218 /nfs/dbraw/zinc/81/32/18/925813218.db2.gz AZBQHDYSSWTULB-ZDUSSCGKSA-N 2 2 321.385 -1.071 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001411126089 925815902 /nfs/dbraw/zinc/81/59/02/925815902.db2.gz PRFZAKDNIOSGEP-GFCCVEGCSA-N 2 2 321.385 -1.002 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001411134028 925818984 /nfs/dbraw/zinc/81/89/84/925818984.db2.gz WPUUCMINNQMXLH-RYUDHWBXSA-N 2 2 311.386 -1.231 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001411180326 925830443 /nfs/dbraw/zinc/83/04/43/925830443.db2.gz AJMLULKXZLVNAK-VXGBXAGGSA-N 2 2 309.370 -1.477 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001411180326 925830449 /nfs/dbraw/zinc/83/04/49/925830449.db2.gz AJMLULKXZLVNAK-VXGBXAGGSA-N 2 2 309.370 -1.477 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC001412911132 925981647 /nfs/dbraw/zinc/98/16/47/925981647.db2.gz YUQYWPOHEJOOSK-JHJVBQTASA-N 2 2 323.397 -1.183 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC001412911132 925981654 /nfs/dbraw/zinc/98/16/54/925981654.db2.gz YUQYWPOHEJOOSK-JHJVBQTASA-N 2 2 323.397 -1.183 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914439 925983608 /nfs/dbraw/zinc/98/36/08/925983608.db2.gz GZYQKQCZSHBZBY-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914439 925983615 /nfs/dbraw/zinc/98/36/15/925983615.db2.gz GZYQKQCZSHBZBY-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001413230122 926019270 /nfs/dbraw/zinc/01/92/70/926019270.db2.gz AXNHHUSNZYENAI-STQMWFEESA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001413230122 926019276 /nfs/dbraw/zinc/01/92/76/926019276.db2.gz AXNHHUSNZYENAI-STQMWFEESA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341237 926038507 /nfs/dbraw/zinc/03/85/07/926038507.db2.gz QCNYFNWFNYFQHD-AAEUAGOBSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341237 926038516 /nfs/dbraw/zinc/03/85/16/926038516.db2.gz QCNYFNWFNYFQHD-AAEUAGOBSA-N 2 2 323.397 -1.161 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O)[NH+](C)C ZINC001413990455 926093992 /nfs/dbraw/zinc/09/39/92/926093992.db2.gz YAXIBGOJCRPVIJ-FRRDWIJNSA-N 2 2 323.397 -1.020 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740421 926258623 /nfs/dbraw/zinc/25/86/23/926258623.db2.gz KIPAWYMSXCHDNL-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740421 926258632 /nfs/dbraw/zinc/25/86/32/926258632.db2.gz KIPAWYMSXCHDNL-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001416757517 926265172 /nfs/dbraw/zinc/26/51/72/926265172.db2.gz JRFNWSNVGGBSCP-LBPRGKRZSA-N 2 2 323.397 -1.050 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416766882 926269252 /nfs/dbraw/zinc/26/92/52/926269252.db2.gz ANVSUXCYQULZNB-LBPRGKRZSA-N 2 2 320.353 -1.318 20 0 DAADLP CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001416766953 926269737 /nfs/dbraw/zinc/26/97/37/926269737.db2.gz BFQOEGLWUYIIRV-NWDGAFQWSA-N 2 2 311.386 -1.114 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001417849388 926340353 /nfs/dbraw/zinc/34/03/53/926340353.db2.gz LCDMXZRQIJYBQL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001417849388 926340363 /nfs/dbraw/zinc/34/03/63/926340363.db2.gz LCDMXZRQIJYBQL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC(N)=O ZINC001417849388 926340373 /nfs/dbraw/zinc/34/03/73/926340373.db2.gz LCDMXZRQIJYBQL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC(N)=O ZINC001417849388 926340382 /nfs/dbraw/zinc/34/03/82/926340382.db2.gz LCDMXZRQIJYBQL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP CN(C)C(=O)C[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001417923488 926348328 /nfs/dbraw/zinc/34/83/28/926348328.db2.gz QNKCSQGHSRGGAN-UHFFFAOYSA-N 2 2 313.446 -1.240 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418045594 926359433 /nfs/dbraw/zinc/35/94/33/926359433.db2.gz JVRFXAGBZVCABZ-JTQLQIEISA-N 2 2 322.369 -1.262 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)C(=O)NC(N)=O ZINC001418109486 926366275 /nfs/dbraw/zinc/36/62/75/926366275.db2.gz KSGPCEXKDSWNIW-LPEHRKFASA-N 2 2 322.369 -1.217 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH2+]CCO ZINC001418260932 926377468 /nfs/dbraw/zinc/37/74/68/926377468.db2.gz GUYNBLXJJHBXTQ-MCIONIFRSA-N 2 2 315.414 -1.047 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001418417102 926388954 /nfs/dbraw/zinc/38/89/54/926388954.db2.gz IPOWOLUVZCTBOG-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001418448383 926391040 /nfs/dbraw/zinc/39/10/40/926391040.db2.gz MXLSASUDLOPATI-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001418448383 926391049 /nfs/dbraw/zinc/39/10/49/926391049.db2.gz MXLSASUDLOPATI-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001418448383 926391060 /nfs/dbraw/zinc/39/10/60/926391060.db2.gz MXLSASUDLOPATI-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001418448383 926391064 /nfs/dbraw/zinc/39/10/64/926391064.db2.gz MXLSASUDLOPATI-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001418524644 926397953 /nfs/dbraw/zinc/39/79/53/926397953.db2.gz NEAOQKNWXUOSGB-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001418524644 926397961 /nfs/dbraw/zinc/39/79/61/926397961.db2.gz NEAOQKNWXUOSGB-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001418524644 926397968 /nfs/dbraw/zinc/39/79/68/926397968.db2.gz NEAOQKNWXUOSGB-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001418524644 926397972 /nfs/dbraw/zinc/39/79/72/926397972.db2.gz NEAOQKNWXUOSGB-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001418613033 926407990 /nfs/dbraw/zinc/40/79/90/926407990.db2.gz OXKMPVBWGLTFIZ-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001418613033 926407996 /nfs/dbraw/zinc/40/79/96/926407996.db2.gz OXKMPVBWGLTFIZ-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001418613033 926408003 /nfs/dbraw/zinc/40/80/03/926408003.db2.gz OXKMPVBWGLTFIZ-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001418613033 926408011 /nfs/dbraw/zinc/40/80/11/926408011.db2.gz OXKMPVBWGLTFIZ-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001418653644 926412690 /nfs/dbraw/zinc/41/26/90/926412690.db2.gz HGSUQILFLGIKHA-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001418653644 926412696 /nfs/dbraw/zinc/41/26/96/926412696.db2.gz HGSUQILFLGIKHA-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418653644 926412704 /nfs/dbraw/zinc/41/27/04/926412704.db2.gz HGSUQILFLGIKHA-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418653644 926412713 /nfs/dbraw/zinc/41/27/13/926412713.db2.gz HGSUQILFLGIKHA-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418702786 926415795 /nfs/dbraw/zinc/41/57/95/926415795.db2.gz JZSKZXPOALEWAO-MGCOHNPYSA-N 2 2 322.369 -1.108 20 0 DAADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001418804619 926423659 /nfs/dbraw/zinc/42/36/59/926423659.db2.gz BJAGPBKUHUVJTG-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001418804619 926423663 /nfs/dbraw/zinc/42/36/63/926423663.db2.gz BJAGPBKUHUVJTG-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419037131 926447376 /nfs/dbraw/zinc/44/73/76/926447376.db2.gz FHXVIURMGWRDIY-LLVKDONJSA-N 2 2 311.386 -1.558 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419037131 926447381 /nfs/dbraw/zinc/44/73/81/926447381.db2.gz FHXVIURMGWRDIY-LLVKDONJSA-N 2 2 311.386 -1.558 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419038425 926447917 /nfs/dbraw/zinc/44/79/17/926447917.db2.gz UIXFGRPXCIZCLA-GFCCVEGCSA-N 2 2 312.414 -1.109 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001419050541 926449581 /nfs/dbraw/zinc/44/95/81/926449581.db2.gz PTJBNBTWSCSMFT-XUXIUFHCSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001419050541 926449588 /nfs/dbraw/zinc/44/95/88/926449588.db2.gz PTJBNBTWSCSMFT-XUXIUFHCSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419050541 926449595 /nfs/dbraw/zinc/44/95/95/926449595.db2.gz PTJBNBTWSCSMFT-XUXIUFHCSA-N 2 2 313.398 -1.391 20 0 DAADLP COC[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419050541 926449600 /nfs/dbraw/zinc/44/96/00/926449600.db2.gz PTJBNBTWSCSMFT-XUXIUFHCSA-N 2 2 313.398 -1.391 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001419062954 926450981 /nfs/dbraw/zinc/45/09/81/926450981.db2.gz HCPNBVNEXQJELL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001419062954 926450985 /nfs/dbraw/zinc/45/09/85/926450985.db2.gz HCPNBVNEXQJELL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001419062954 926450990 /nfs/dbraw/zinc/45/09/90/926450990.db2.gz HCPNBVNEXQJELL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001419062954 926450994 /nfs/dbraw/zinc/45/09/94/926450994.db2.gz HCPNBVNEXQJELL-OUAUKWLOSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001419062952 926451606 /nfs/dbraw/zinc/45/16/06/926451606.db2.gz HCPNBVNEXQJELL-GARJFASQSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001419062952 926451613 /nfs/dbraw/zinc/45/16/13/926451613.db2.gz HCPNBVNEXQJELL-GARJFASQSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001419062952 926451621 /nfs/dbraw/zinc/45/16/21/926451621.db2.gz HCPNBVNEXQJELL-GARJFASQSA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001419062952 926451627 /nfs/dbraw/zinc/45/16/27/926451627.db2.gz HCPNBVNEXQJELL-GARJFASQSA-N 2 2 311.386 -1.146 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001419090142 926453722 /nfs/dbraw/zinc/45/37/22/926453722.db2.gz KLEYSHQEFBMQJZ-SNVBAGLBSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001419090142 926453725 /nfs/dbraw/zinc/45/37/25/926453725.db2.gz KLEYSHQEFBMQJZ-SNVBAGLBSA-N 2 2 311.386 -1.286 20 0 DAADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(=O)NC ZINC001419263550 926470663 /nfs/dbraw/zinc/47/06/63/926470663.db2.gz BEHRHQYBGXJTQH-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)ncn1 ZINC001420108193 926525670 /nfs/dbraw/zinc/52/56/70/926525670.db2.gz KMGSYIUNVHSOPG-ZIAGYGMSSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC001420108193 926525676 /nfs/dbraw/zinc/52/56/76/926525676.db2.gz KMGSYIUNVHSOPG-ZIAGYGMSSA-N 2 2 323.397 -1.318 20 0 DAADLP CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001420179925 926553906 /nfs/dbraw/zinc/55/39/06/926553906.db2.gz QZJHJYFSTCKSCX-LBPRGKRZSA-N 2 2 309.370 -1.360 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001420203664 926564072 /nfs/dbraw/zinc/56/40/72/926564072.db2.gz IREJHCMSTYASQS-GFCCVEGCSA-N 2 2 309.370 -1.428 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001420352666 926584527 /nfs/dbraw/zinc/58/45/27/926584527.db2.gz QHIMNOFILGETFY-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001420352666 926584537 /nfs/dbraw/zinc/58/45/37/926584537.db2.gz QHIMNOFILGETFY-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)C1 ZINC001420352666 926584549 /nfs/dbraw/zinc/58/45/49/926584549.db2.gz QHIMNOFILGETFY-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)C1 ZINC001420352666 926584555 /nfs/dbraw/zinc/58/45/55/926584555.db2.gz QHIMNOFILGETFY-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001420504542 926596993 /nfs/dbraw/zinc/59/69/93/926596993.db2.gz HSUFSJFYBAFPDS-IUCAKERBSA-N 2 2 310.358 -1.360 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001420750182 926613830 /nfs/dbraw/zinc/61/38/30/926613830.db2.gz VGSSXKAIAFYKMF-OLZOCXBDSA-N 2 2 312.414 -1.063 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001420750182 926613834 /nfs/dbraw/zinc/61/38/34/926613834.db2.gz VGSSXKAIAFYKMF-OLZOCXBDSA-N 2 2 312.414 -1.063 20 0 DAADLP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421171510 926652966 /nfs/dbraw/zinc/65/29/66/926652966.db2.gz MXSDMLNPIOCEIO-JTQLQIEISA-N 2 2 313.402 -1.040 20 0 DAADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421171510 926652969 /nfs/dbraw/zinc/65/29/69/926652969.db2.gz MXSDMLNPIOCEIO-JTQLQIEISA-N 2 2 313.402 -1.040 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001421290125 926660225 /nfs/dbraw/zinc/66/02/25/926660225.db2.gz SSJLAFFLDNHBRH-GHMZBOCLSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001421290125 926660231 /nfs/dbraw/zinc/66/02/31/926660231.db2.gz SSJLAFFLDNHBRH-GHMZBOCLSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001421290125 926660238 /nfs/dbraw/zinc/66/02/38/926660238.db2.gz SSJLAFFLDNHBRH-GHMZBOCLSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421290125 926660245 /nfs/dbraw/zinc/66/02/45/926660245.db2.gz SSJLAFFLDNHBRH-GHMZBOCLSA-N 2 2 311.386 -1.416 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](CC(N)=O)C2)CC1 ZINC001421627248 926736463 /nfs/dbraw/zinc/73/64/63/926736463.db2.gz TVXUWEYECNJMTA-OAHLLOKOSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001421627248 926736470 /nfs/dbraw/zinc/73/64/70/926736470.db2.gz TVXUWEYECNJMTA-OAHLLOKOSA-N 2 2 312.414 -1.243 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001421813279 926764517 /nfs/dbraw/zinc/76/45/17/926764517.db2.gz CJUMVXKIJKFEMU-PWSUYJOCSA-N 2 2 309.370 -1.109 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001421822680 926764611 /nfs/dbraw/zinc/76/46/11/926764611.db2.gz NCOWZLQGQMNOLZ-NWDGAFQWSA-N 2 2 312.370 -1.224 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001421824013 926764942 /nfs/dbraw/zinc/76/49/42/926764942.db2.gz OMTXWLCWNDSCBO-LBPRGKRZSA-N 2 2 309.370 -1.095 20 0 DAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001422277132 926808823 /nfs/dbraw/zinc/80/88/23/926808823.db2.gz SIVBTLKBPQQFJP-RYUDHWBXSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001422277132 926808836 /nfs/dbraw/zinc/80/88/36/926808836.db2.gz SIVBTLKBPQQFJP-RYUDHWBXSA-N 2 2 312.374 -2.288 20 0 DAADLP CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001422349553 926845927 /nfs/dbraw/zinc/84/59/27/926845927.db2.gz KXRADFHOFARNGD-QWHCGFSZSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001422349553 926845934 /nfs/dbraw/zinc/84/59/34/926845934.db2.gz KXRADFHOFARNGD-QWHCGFSZSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001422349550 926846219 /nfs/dbraw/zinc/84/62/19/926846219.db2.gz KXRADFHOFARNGD-CHWSQXEVSA-N 2 2 310.402 -1.041 20 0 DAADLP CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001422349550 926846232 /nfs/dbraw/zinc/84/62/32/926846232.db2.gz KXRADFHOFARNGD-CHWSQXEVSA-N 2 2 310.402 -1.041 20 0 DAADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001422375788 926857132 /nfs/dbraw/zinc/85/71/32/926857132.db2.gz OEMWCTOLJDTWPF-NXEZZACHSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373396 926857276 /nfs/dbraw/zinc/85/72/76/926857276.db2.gz BXSKDZMPQZKKDC-JQWIXIFHSA-N 2 2 311.386 -1.257 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373396 926857290 /nfs/dbraw/zinc/85/72/90/926857290.db2.gz BXSKDZMPQZKKDC-JQWIXIFHSA-N 2 2 311.386 -1.257 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001422384643 926859333 /nfs/dbraw/zinc/85/93/33/926859333.db2.gz BTGJRRMTAHOOMI-QWRGUYRKSA-N 2 2 319.369 -1.202 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001422396336 926861388 /nfs/dbraw/zinc/86/13/88/926861388.db2.gz WZDDVWLGHNDNBT-JQWIXIFHSA-N 2 2 323.397 -1.006 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)c1nncn1C ZINC001422397077 926862045 /nfs/dbraw/zinc/86/20/45/926862045.db2.gz KCBCXWYTKDDQQT-PWSUYJOCSA-N 2 2 321.385 -1.081 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001422396341 926863979 /nfs/dbraw/zinc/86/39/79/926863979.db2.gz WZDDVWLGHNDNBT-ZYHUDNBSSA-N 2 2 323.397 -1.006 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001422396338 926864155 /nfs/dbraw/zinc/86/41/55/926864155.db2.gz WZDDVWLGHNDNBT-PWSUYJOCSA-N 2 2 323.397 -1.006 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001422409717 926867750 /nfs/dbraw/zinc/86/77/50/926867750.db2.gz XEVNTUOOKKQKSN-RYUDHWBXSA-N 2 2 309.370 -1.382 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419881 926869077 /nfs/dbraw/zinc/86/90/77/926869077.db2.gz ZGPKHLLQKHALDR-QWHCGFSZSA-N 2 2 312.370 -1.038 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001422419881 926869087 /nfs/dbraw/zinc/86/90/87/926869087.db2.gz ZGPKHLLQKHALDR-QWHCGFSZSA-N 2 2 312.370 -1.038 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600967 926890173 /nfs/dbraw/zinc/89/01/73/926890173.db2.gz NMPSJLZBEWHWNH-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600967 926890185 /nfs/dbraw/zinc/89/01/85/926890185.db2.gz NMPSJLZBEWHWNH-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600967 926890200 /nfs/dbraw/zinc/89/02/00/926890200.db2.gz NMPSJLZBEWHWNH-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600967 926890212 /nfs/dbraw/zinc/89/02/12/926890212.db2.gz NMPSJLZBEWHWNH-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422637311 926896659 /nfs/dbraw/zinc/89/66/59/926896659.db2.gz XXEVSAVHIQCJQC-NWDGAFQWSA-N 2 2 300.403 -1.063 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422637311 926896669 /nfs/dbraw/zinc/89/66/69/926896669.db2.gz XXEVSAVHIQCJQC-NWDGAFQWSA-N 2 2 300.403 -1.063 20 0 DAADLP C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1C[NH+](CC(N)=O)C1 ZINC001422760285 926915225 /nfs/dbraw/zinc/91/52/25/926915225.db2.gz LRGRZRIQODQGTB-NWDGAFQWSA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001422936043 926931572 /nfs/dbraw/zinc/93/15/72/926931572.db2.gz NSFREQDDMIAHCR-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001422936043 926931575 /nfs/dbraw/zinc/93/15/75/926931575.db2.gz NSFREQDDMIAHCR-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](C[NH+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422936043 926931582 /nfs/dbraw/zinc/93/15/82/926931582.db2.gz NSFREQDDMIAHCR-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](C[NH+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422936043 926931585 /nfs/dbraw/zinc/93/15/85/926931585.db2.gz NSFREQDDMIAHCR-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001422955603 926932602 /nfs/dbraw/zinc/93/26/02/926932602.db2.gz UBCJHWDHIKKMQE-ZJUUUORDSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001422955603 926932610 /nfs/dbraw/zinc/93/26/10/926932610.db2.gz UBCJHWDHIKKMQE-ZJUUUORDSA-N 2 2 310.358 -1.097 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190990 926959818 /nfs/dbraw/zinc/95/98/18/926959818.db2.gz CPHGDDUWSPGQRX-MNOVXSKESA-N 2 2 323.415 -2.572 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190990 926959828 /nfs/dbraw/zinc/95/98/28/926959828.db2.gz CPHGDDUWSPGQRX-MNOVXSKESA-N 2 2 323.415 -2.572 20 0 DAADLP CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001423196182 926965054 /nfs/dbraw/zinc/96/50/54/926965054.db2.gz YQBOLGXEESRMOW-QWHCGFSZSA-N 2 2 314.430 -1.081 20 0 DAADLP CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001423196182 926965066 /nfs/dbraw/zinc/96/50/66/926965066.db2.gz YQBOLGXEESRMOW-QWHCGFSZSA-N 2 2 314.430 -1.081 20 0 DAADLP O=C(NC[C@H](CO)[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001423212324 926973092 /nfs/dbraw/zinc/97/30/92/926973092.db2.gz AXTJTPSEMSGPQB-IJLUTSLNSA-N 2 2 319.369 -1.128 20 0 DAADLP O=C(NC[C@H](CO)[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001423212324 926973104 /nfs/dbraw/zinc/97/31/04/926973104.db2.gz AXTJTPSEMSGPQB-IJLUTSLNSA-N 2 2 319.369 -1.128 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001423225754 926983569 /nfs/dbraw/zinc/98/35/69/926983569.db2.gz KFBDGDQUJMWMKD-LLVKDONJSA-N 2 2 311.386 -1.261 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)nn1 ZINC001423229459 926987944 /nfs/dbraw/zinc/98/79/44/926987944.db2.gz HJICKBDHCCDEHA-LBPRGKRZSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001423229459 926987955 /nfs/dbraw/zinc/98/79/55/926987955.db2.gz HJICKBDHCCDEHA-LBPRGKRZSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001423245001 926996435 /nfs/dbraw/zinc/99/64/35/926996435.db2.gz ZPOQXTRCSWLAIR-NSHDSACASA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423257396 927003532 /nfs/dbraw/zinc/00/35/32/927003532.db2.gz LRSHARYZZNMIRE-SNVBAGLBSA-N 2 2 311.390 -1.881 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001423292108 927017763 /nfs/dbraw/zinc/01/77/63/927017763.db2.gz GZYNQMCDIYUBNF-JQWIXIFHSA-N 2 2 309.370 -1.740 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423309030 927026494 /nfs/dbraw/zinc/02/64/94/927026494.db2.gz RRFVDWOJSVTGNH-VXGBXAGGSA-N 2 2 310.402 -1.184 20 0 DAADLP CCn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423309030 927026511 /nfs/dbraw/zinc/02/65/11/927026511.db2.gz RRFVDWOJSVTGNH-VXGBXAGGSA-N 2 2 310.402 -1.184 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001423448613 927055429 /nfs/dbraw/zinc/05/54/29/927055429.db2.gz AWCOTSWWQGMLOT-ZDUSSCGKSA-N 2 2 321.385 -1.071 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001423455342 927060284 /nfs/dbraw/zinc/06/02/84/927060284.db2.gz BILOESCILFLSLZ-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423480399 927069897 /nfs/dbraw/zinc/06/98/97/927069897.db2.gz DQEODYFNHNFTRC-WDEREUQCSA-N 2 2 311.386 -1.196 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423480397 927070079 /nfs/dbraw/zinc/07/00/79/927070079.db2.gz DQEODYFNHNFTRC-MNOVXSKESA-N 2 2 311.386 -1.196 20 0 DAADLP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423542441 927090424 /nfs/dbraw/zinc/09/04/24/927090424.db2.gz KAQRNMYAJOUUSJ-NWDGAFQWSA-N 2 2 311.386 -1.231 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423542441 927090436 /nfs/dbraw/zinc/09/04/36/927090436.db2.gz KAQRNMYAJOUUSJ-NWDGAFQWSA-N 2 2 311.386 -1.231 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423542436 927093652 /nfs/dbraw/zinc/09/36/52/927093652.db2.gz KAQRNMYAJOUUSJ-NEPJUHHUSA-N 2 2 311.386 -1.231 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423542436 927093665 /nfs/dbraw/zinc/09/36/65/927093665.db2.gz KAQRNMYAJOUUSJ-NEPJUHHUSA-N 2 2 311.386 -1.231 20 0 DAADLP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001423639430 927099968 /nfs/dbraw/zinc/09/99/68/927099968.db2.gz DEBQEDPTAZKNAU-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(N)=O ZINC001423639430 927099977 /nfs/dbraw/zinc/09/99/77/927099977.db2.gz DEBQEDPTAZKNAU-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(N)=O ZINC001423639430 927099994 /nfs/dbraw/zinc/09/99/94/927099994.db2.gz DEBQEDPTAZKNAU-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001423639430 927100023 /nfs/dbraw/zinc/10/00/23/927100023.db2.gz DEBQEDPTAZKNAU-NWDGAFQWSA-N 2 2 300.403 -1.124 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001423686714 927104818 /nfs/dbraw/zinc/10/48/18/927104818.db2.gz ZUZJLAHUDCJMQF-UHFFFAOYSA-N 2 2 322.369 -1.013 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001423871168 927161376 /nfs/dbraw/zinc/16/13/76/927161376.db2.gz OHLGSFGQOGVSSU-CHWSQXEVSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001423871168 927161385 /nfs/dbraw/zinc/16/13/85/927161385.db2.gz OHLGSFGQOGVSSU-CHWSQXEVSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001423907515 927169151 /nfs/dbraw/zinc/16/91/51/927169151.db2.gz DWOZIDROYJEBAG-VXGBXAGGSA-N 2 2 301.387 -1.892 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001423907515 927169159 /nfs/dbraw/zinc/16/91/59/927169159.db2.gz DWOZIDROYJEBAG-VXGBXAGGSA-N 2 2 301.387 -1.892 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001424806637 927259813 /nfs/dbraw/zinc/25/98/13/927259813.db2.gz BKDHTVDMXLEPLM-DTWKUNHWSA-N 2 2 310.358 -1.109 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001425494028 927379725 /nfs/dbraw/zinc/37/97/25/927379725.db2.gz MBRYFCLDXCSVFY-LLVKDONJSA-N 2 2 311.386 -1.194 20 0 DAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001425511794 927384743 /nfs/dbraw/zinc/38/47/43/927384743.db2.gz ULCHKOZZGSAVJY-LLVKDONJSA-N 2 2 322.369 -1.095 20 0 DAADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001425511809 927385137 /nfs/dbraw/zinc/38/51/37/927385137.db2.gz ULCHKOZZGSAVJY-NSHDSACASA-N 2 2 322.369 -1.095 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001425688782 927400813 /nfs/dbraw/zinc/40/08/13/927400813.db2.gz AXGUPXABERSHRN-JTQLQIEISA-N 2 2 310.358 -1.225 20 0 DAADLP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425743975 927418500 /nfs/dbraw/zinc/41/85/00/927418500.db2.gz ZSYKYPHMVOSDEI-CMPLNLGQSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425743975 927418505 /nfs/dbraw/zinc/41/85/05/927418505.db2.gz ZSYKYPHMVOSDEI-CMPLNLGQSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425779243 927442717 /nfs/dbraw/zinc/44/27/17/927442717.db2.gz CAVLRYUTSSTKCX-WDEREUQCSA-N 2 2 309.370 -1.692 20 0 DAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001425795079 927450384 /nfs/dbraw/zinc/45/03/84/927450384.db2.gz ZCMHPEMFTXNPGY-QWRGUYRKSA-N 2 2 309.370 -1.742 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001425802122 927455443 /nfs/dbraw/zinc/45/54/43/927455443.db2.gz MBTFLYWYXOEGQS-NEPJUHHUSA-N 2 2 321.443 -1.561 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001425802122 927455452 /nfs/dbraw/zinc/45/54/52/927455452.db2.gz MBTFLYWYXOEGQS-NEPJUHHUSA-N 2 2 321.443 -1.561 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001425821683 927463711 /nfs/dbraw/zinc/46/37/11/927463711.db2.gz WPPGABVPNKFNIX-GFCCVEGCSA-N 2 2 316.402 -2.136 20 0 DAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001425839604 927472005 /nfs/dbraw/zinc/47/20/05/927472005.db2.gz UPRDTTXLYXWPNC-MNOVXSKESA-N 2 2 311.390 -1.881 20 0 DAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425839604 927472013 /nfs/dbraw/zinc/47/20/13/927472013.db2.gz UPRDTTXLYXWPNC-MNOVXSKESA-N 2 2 311.390 -1.881 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)C ZINC001425841488 927473580 /nfs/dbraw/zinc/47/35/80/927473580.db2.gz PIAIYPZMDPRKFO-NSHDSACASA-N 2 2 311.386 -1.148 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001425848384 927476815 /nfs/dbraw/zinc/47/68/15/927476815.db2.gz FLPZFCVDRRBQTI-CYBMUJFWSA-N 2 2 323.397 -1.119 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001425852400 927478606 /nfs/dbraw/zinc/47/86/06/927478606.db2.gz LKOKKCMFMAAWHW-AAEUAGOBSA-N 2 2 323.397 -1.302 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425853474 927478907 /nfs/dbraw/zinc/47/89/07/927478907.db2.gz JTTSAURGZYOWPD-RYUDHWBXSA-N 2 2 309.370 -1.382 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001426041271 927514250 /nfs/dbraw/zinc/51/42/50/927514250.db2.gz GDRKRZAJLCIPIK-RYUDHWBXSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001426038787 927514620 /nfs/dbraw/zinc/51/46/20/927514620.db2.gz CSQSZNOWRVAHQK-NEPJUHHUSA-N 2 2 323.397 -1.100 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH+]cn1C ZINC001426038778 927515175 /nfs/dbraw/zinc/51/51/75/927515175.db2.gz CSGMYARRHQNAQV-QWHCGFSZSA-N 2 2 323.397 -1.350 20 0 DAADLP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001426559774 927554153 /nfs/dbraw/zinc/55/41/53/927554153.db2.gz OHNFOIUDTANGBD-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001426561900 927556391 /nfs/dbraw/zinc/55/63/91/927556391.db2.gz UBRORMULLPGKJN-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001426561900 927556398 /nfs/dbraw/zinc/55/63/98/927556398.db2.gz UBRORMULLPGKJN-CHWSQXEVSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001427122851 927597770 /nfs/dbraw/zinc/59/77/70/927597770.db2.gz QKNAMFSRXSLLCD-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427834551 927686891 /nfs/dbraw/zinc/68/68/91/927686891.db2.gz XOUGGEGNYQOPRM-VXGBXAGGSA-N 2 2 323.397 -1.492 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427834551 927686904 /nfs/dbraw/zinc/68/69/04/927686904.db2.gz XOUGGEGNYQOPRM-VXGBXAGGSA-N 2 2 323.397 -1.492 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001427933229 927714278 /nfs/dbraw/zinc/71/42/78/927714278.db2.gz FGZONWZEFFMSBK-NSHDSACASA-N 2 2 311.386 -1.114 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001427933229 927714286 /nfs/dbraw/zinc/71/42/86/927714286.db2.gz FGZONWZEFFMSBK-NSHDSACASA-N 2 2 311.386 -1.114 20 0 DAADLP C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001427941932 927715606 /nfs/dbraw/zinc/71/56/06/927715606.db2.gz VWXBDEZWQOGKJG-LBPRGKRZSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001427941931 927716351 /nfs/dbraw/zinc/71/63/51/927716351.db2.gz VWXBDEZWQOGKJG-GFCCVEGCSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968778 927722814 /nfs/dbraw/zinc/72/28/14/927722814.db2.gz FKZAQUNEUUNJPC-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001427968778 927722825 /nfs/dbraw/zinc/72/28/25/927722825.db2.gz FKZAQUNEUUNJPC-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001427974018 927724478 /nfs/dbraw/zinc/72/44/78/927724478.db2.gz OZESPXMGVZMUAG-LBPRGKRZSA-N 2 2 323.397 -1.113 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001428226601 927758293 /nfs/dbraw/zinc/75/82/93/927758293.db2.gz UMPBIBOFMBEMCD-OLZOCXBDSA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001428226601 927758304 /nfs/dbraw/zinc/75/83/04/927758304.db2.gz UMPBIBOFMBEMCD-OLZOCXBDSA-N 2 2 323.397 -1.230 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001428814583 927812238 /nfs/dbraw/zinc/81/22/38/927812238.db2.gz VXPSYEQUOITTRS-CHWSQXEVSA-N 2 2 323.397 -1.398 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001428934288 927830334 /nfs/dbraw/zinc/83/03/34/927830334.db2.gz YMICWIUOFYOSPD-OLZOCXBDSA-N 2 2 323.397 -1.100 20 0 DAADLP C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001431544038 928057346 /nfs/dbraw/zinc/05/73/46/928057346.db2.gz GLJXPPGJYNIIFU-GFCCVEGCSA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001431577930 928069553 /nfs/dbraw/zinc/06/95/53/928069553.db2.gz ZPGXWGKJXRQDBI-RYUDHWBXSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001431577930 928069566 /nfs/dbraw/zinc/06/95/66/928069566.db2.gz ZPGXWGKJXRQDBI-RYUDHWBXSA-N 2 2 323.397 -1.113 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001433317866 928217852 /nfs/dbraw/zinc/21/78/52/928217852.db2.gz FYMMOOLHFGAZLS-LLVKDONJSA-N 2 2 321.381 -1.359 20 0 DAADLP C[C@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(=O)NC(N)=O ZINC001436831506 928414915 /nfs/dbraw/zinc/41/49/15/928414915.db2.gz IVTSXJMDEJZALP-GXSJLCMTSA-N 2 2 322.369 -1.049 20 0 DAADLP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001437327895 928446768 /nfs/dbraw/zinc/44/67/68/928446768.db2.gz FCMOSNUXBHGZTI-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001437327895 928446779 /nfs/dbraw/zinc/44/67/79/928446779.db2.gz FCMOSNUXBHGZTI-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001437327895 928446787 /nfs/dbraw/zinc/44/67/87/928446787.db2.gz FCMOSNUXBHGZTI-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001437327895 928446801 /nfs/dbraw/zinc/44/68/01/928446801.db2.gz FCMOSNUXBHGZTI-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC(=O)NC ZINC001437552503 928462095 /nfs/dbraw/zinc/46/20/95/928462095.db2.gz VARREHXLUPTIJL-UHFFFAOYSA-N 2 2 301.391 -1.168 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC(=O)NC ZINC001437552503 928462100 /nfs/dbraw/zinc/46/21/00/928462100.db2.gz VARREHXLUPTIJL-UHFFFAOYSA-N 2 2 301.391 -1.168 20 0 DAADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001437552503 928462103 /nfs/dbraw/zinc/46/21/03/928462103.db2.gz VARREHXLUPTIJL-UHFFFAOYSA-N 2 2 301.391 -1.168 20 0 DAADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001437552503 928462107 /nfs/dbraw/zinc/46/21/07/928462107.db2.gz VARREHXLUPTIJL-UHFFFAOYSA-N 2 2 301.391 -1.168 20 0 DAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001437542226 928462327 /nfs/dbraw/zinc/46/23/27/928462327.db2.gz SUISOMLQHQHGJJ-UHFFFAOYSA-N 2 2 308.386 -1.248 20 0 DAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001437542226 928462328 /nfs/dbraw/zinc/46/23/28/928462328.db2.gz SUISOMLQHQHGJJ-UHFFFAOYSA-N 2 2 308.386 -1.248 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)NC(N)=O ZINC001437589922 928464095 /nfs/dbraw/zinc/46/40/95/928464095.db2.gz NSVWYLPIZBQQHG-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)NC(N)=O ZINC001437589922 928464109 /nfs/dbraw/zinc/46/41/09/928464109.db2.gz NSVWYLPIZBQQHG-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)NC(N)=O ZINC001437589922 928464121 /nfs/dbraw/zinc/46/41/21/928464121.db2.gz NSVWYLPIZBQQHG-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)NC(N)=O ZINC001437589922 928464132 /nfs/dbraw/zinc/46/41/32/928464132.db2.gz NSVWYLPIZBQQHG-SNVBAGLBSA-N 2 2 315.374 -2.050 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586857 928465061 /nfs/dbraw/zinc/46/50/61/928465061.db2.gz CDKXAHVYYVXRQS-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586857 928465065 /nfs/dbraw/zinc/46/50/65/928465065.db2.gz CDKXAHVYYVXRQS-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586857 928465068 /nfs/dbraw/zinc/46/50/68/928465068.db2.gz CDKXAHVYYVXRQS-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586857 928465073 /nfs/dbraw/zinc/46/50/73/928465073.db2.gz CDKXAHVYYVXRQS-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586858 928465841 /nfs/dbraw/zinc/46/58/41/928465841.db2.gz CDKXAHVYYVXRQS-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586858 928465850 /nfs/dbraw/zinc/46/58/50/928465850.db2.gz CDKXAHVYYVXRQS-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586858 928465860 /nfs/dbraw/zinc/46/58/60/928465860.db2.gz CDKXAHVYYVXRQS-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586858 928465871 /nfs/dbraw/zinc/46/58/71/928465871.db2.gz CDKXAHVYYVXRQS-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781095 928478706 /nfs/dbraw/zinc/47/87/06/928478706.db2.gz NEKGCNHSDQCFFK-QWHCGFSZSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781095 928478711 /nfs/dbraw/zinc/47/87/11/928478711.db2.gz NEKGCNHSDQCFFK-QWHCGFSZSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781095 928478718 /nfs/dbraw/zinc/47/87/18/928478718.db2.gz NEKGCNHSDQCFFK-QWHCGFSZSA-N 2 2 310.398 -1.214 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781095 928478728 /nfs/dbraw/zinc/47/87/28/928478728.db2.gz NEKGCNHSDQCFFK-QWHCGFSZSA-N 2 2 310.398 -1.214 20 0 DAADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC(=O)NC(N)=O ZINC001437768291 928479882 /nfs/dbraw/zinc/47/98/82/928479882.db2.gz OWVBYERKDUKCLX-UHFFFAOYSA-N 2 2 310.358 -1.094 20 0 DAADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC(=O)NC(N)=O ZINC001437768291 928479885 /nfs/dbraw/zinc/47/98/85/928479885.db2.gz OWVBYERKDUKCLX-UHFFFAOYSA-N 2 2 310.358 -1.094 20 0 DAADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001438698054 928532296 /nfs/dbraw/zinc/53/22/96/928532296.db2.gz GJFZLMYPYIFNGQ-BDAKNGLRSA-N 2 2 310.358 -1.028 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001438781200 928533743 /nfs/dbraw/zinc/53/37/43/928533743.db2.gz YCVMGOHIFRYOEI-ZJUUUORDSA-N 2 2 322.369 -1.026 20 0 DAADLP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001438869056 928536711 /nfs/dbraw/zinc/53/67/11/928536711.db2.gz VVCZQYYLAMRBQN-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001438869056 928536720 /nfs/dbraw/zinc/53/67/20/928536720.db2.gz VVCZQYYLAMRBQN-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001438869056 928536726 /nfs/dbraw/zinc/53/67/26/928536726.db2.gz VVCZQYYLAMRBQN-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001438869056 928536733 /nfs/dbraw/zinc/53/67/33/928536733.db2.gz VVCZQYYLAMRBQN-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001438869050 928537845 /nfs/dbraw/zinc/53/78/45/928537845.db2.gz VVCZQYYLAMRBQN-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001438869050 928537849 /nfs/dbraw/zinc/53/78/49/928537849.db2.gz VVCZQYYLAMRBQN-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001438869050 928537858 /nfs/dbraw/zinc/53/78/58/928537858.db2.gz VVCZQYYLAMRBQN-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001438869050 928537864 /nfs/dbraw/zinc/53/78/64/928537864.db2.gz VVCZQYYLAMRBQN-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001438945463 928539460 /nfs/dbraw/zinc/53/94/60/928539460.db2.gz ITSIAECHYYFQSM-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001438945463 928539470 /nfs/dbraw/zinc/53/94/70/928539470.db2.gz ITSIAECHYYFQSM-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001438945463 928539474 /nfs/dbraw/zinc/53/94/74/928539474.db2.gz ITSIAECHYYFQSM-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001438945463 928539485 /nfs/dbraw/zinc/53/94/85/928539485.db2.gz ITSIAECHYYFQSM-RYUDHWBXSA-N 2 2 300.403 -1.029 20 0 DAADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)co1 ZINC001438970326 928550047 /nfs/dbraw/zinc/55/00/47/928550047.db2.gz MVVUHASOHQWGRK-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)co1 ZINC001438970326 928550052 /nfs/dbraw/zinc/55/00/52/928550052.db2.gz MVVUHASOHQWGRK-OLZOCXBDSA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001438974676 928550604 /nfs/dbraw/zinc/55/06/04/928550604.db2.gz YARHOMFGOYCILD-VXGBXAGGSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001438974676 928550611 /nfs/dbraw/zinc/55/06/11/928550611.db2.gz YARHOMFGOYCILD-VXGBXAGGSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001439009631 928572058 /nfs/dbraw/zinc/57/20/58/928572058.db2.gz FBPQELPKHGVKMI-VHSXEESVSA-N 2 2 312.374 -2.231 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001439009631 928572064 /nfs/dbraw/zinc/57/20/64/928572064.db2.gz FBPQELPKHGVKMI-VHSXEESVSA-N 2 2 312.374 -2.231 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001439051960 928593207 /nfs/dbraw/zinc/59/32/07/928593207.db2.gz HBRSJRVUXWXGPH-SNVBAGLBSA-N 2 2 314.390 -1.985 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001439051960 928593216 /nfs/dbraw/zinc/59/32/16/928593216.db2.gz HBRSJRVUXWXGPH-SNVBAGLBSA-N 2 2 314.390 -1.985 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001439057219 928594798 /nfs/dbraw/zinc/59/47/98/928594798.db2.gz MRDVGNCRORAJLL-CYBMUJFWSA-N 2 2 323.397 -1.038 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001439976666 928651804 /nfs/dbraw/zinc/65/18/04/928651804.db2.gz DNTQHUDLWFSKRQ-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001439976666 928651811 /nfs/dbraw/zinc/65/18/11/928651811.db2.gz DNTQHUDLWFSKRQ-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001439976666 928651816 /nfs/dbraw/zinc/65/18/16/928651816.db2.gz DNTQHUDLWFSKRQ-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001439976666 928651821 /nfs/dbraw/zinc/65/18/21/928651821.db2.gz DNTQHUDLWFSKRQ-ZFWWWQNUSA-N 2 2 322.413 -1.038 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001439997716 928660796 /nfs/dbraw/zinc/66/07/96/928660796.db2.gz FQQYPSMVFFQFEU-HNNXBMFYSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001439997716 928660800 /nfs/dbraw/zinc/66/08/00/928660800.db2.gz FQQYPSMVFFQFEU-HNNXBMFYSA-N 2 2 323.397 -1.086 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440010281 928666486 /nfs/dbraw/zinc/66/64/86/928666486.db2.gz MDMFQYHTLCSPEO-JSGCOSHPSA-N 2 2 303.403 -1.502 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440010281 928666488 /nfs/dbraw/zinc/66/64/88/928666488.db2.gz MDMFQYHTLCSPEO-JSGCOSHPSA-N 2 2 303.403 -1.502 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440009348 928666577 /nfs/dbraw/zinc/66/65/77/928666577.db2.gz KABDQVYCCATZCG-CQSZACIVSA-N 2 2 300.403 -1.373 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440009348 928666586 /nfs/dbraw/zinc/66/65/86/928666586.db2.gz KABDQVYCCATZCG-CQSZACIVSA-N 2 2 300.403 -1.373 20 0 DAADLP CNC(=O)C[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001440160694 928699118 /nfs/dbraw/zinc/69/91/18/928699118.db2.gz WKEOVENGPDTYPA-UHFFFAOYSA-N 2 2 322.413 -1.201 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001440197537 928704202 /nfs/dbraw/zinc/70/42/02/928704202.db2.gz CIAKRUCRNOXURR-RYUDHWBXSA-N 2 2 316.402 -2.138 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001440197537 928704207 /nfs/dbraw/zinc/70/42/07/928704207.db2.gz CIAKRUCRNOXURR-RYUDHWBXSA-N 2 2 316.402 -2.138 20 0 DAADLP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001440565596 928732005 /nfs/dbraw/zinc/73/20/05/928732005.db2.gz MFLIELZHLMHQIJ-STQMWFEESA-N 2 2 315.414 -1.047 20 0 DAADLP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001440565596 928732013 /nfs/dbraw/zinc/73/20/13/928732013.db2.gz MFLIELZHLMHQIJ-STQMWFEESA-N 2 2 315.414 -1.047 20 0 DAADLP C[C@H]([NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001440641799 928738051 /nfs/dbraw/zinc/73/80/51/928738051.db2.gz VJYSAHGKNKKXNB-NSHDSACASA-N 2 2 309.370 -1.300 20 0 DAADLP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001440851187 928745600 /nfs/dbraw/zinc/74/56/00/928745600.db2.gz ZJPPZDJZWMTSPX-BDAKNGLRSA-N 2 2 310.358 -1.360 20 0 DAADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001440851191 928748316 /nfs/dbraw/zinc/74/83/16/928748316.db2.gz ZJPPZDJZWMTSPX-RKDXNWHRSA-N 2 2 310.358 -1.360 20 0 DAADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001441655453 928803418 /nfs/dbraw/zinc/80/34/18/928803418.db2.gz ZWZBGXOURPCSDG-SNVBAGLBSA-N 2 2 324.385 -1.016 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001441714020 928833698 /nfs/dbraw/zinc/83/36/98/928833698.db2.gz FSLLQNQSPHYHLW-NEPJUHHUSA-N 2 2 323.397 -1.352 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441717711 928838539 /nfs/dbraw/zinc/83/85/39/928838539.db2.gz RDHPOAQSMJTKCH-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001441717711 928838548 /nfs/dbraw/zinc/83/85/48/928838548.db2.gz RDHPOAQSMJTKCH-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001441728251 928844401 /nfs/dbraw/zinc/84/44/01/928844401.db2.gz FRIPLLZPTKGDQB-NWDGAFQWSA-N 2 2 300.403 -1.327 20 0 DAADLP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001441728251 928844409 /nfs/dbraw/zinc/84/44/09/928844409.db2.gz FRIPLLZPTKGDQB-NWDGAFQWSA-N 2 2 300.403 -1.327 20 0 DAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001441740159 928850176 /nfs/dbraw/zinc/85/01/76/928850176.db2.gz PBKHHKNXDULYTH-JSGCOSHPSA-N 2 2 315.414 -1.311 20 0 DAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001441740159 928850179 /nfs/dbraw/zinc/85/01/79/928850179.db2.gz PBKHHKNXDULYTH-JSGCOSHPSA-N 2 2 315.414 -1.311 20 0 DAADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)cc1=O ZINC001441792494 928867209 /nfs/dbraw/zinc/86/72/09/928867209.db2.gz DCFRIEJLZBZBMR-CYBMUJFWSA-N 2 2 319.365 -1.151 20 0 DAADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001441922975 928882300 /nfs/dbraw/zinc/88/23/00/928882300.db2.gz HNSJVDLXJSNMLY-NEPJUHHUSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001441922975 928882315 /nfs/dbraw/zinc/88/23/15/928882315.db2.gz HNSJVDLXJSNMLY-NEPJUHHUSA-N 2 2 312.414 -1.110 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001441983262 928897707 /nfs/dbraw/zinc/89/77/07/928897707.db2.gz JWEYJOFZPQTUIV-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001441983262 928897717 /nfs/dbraw/zinc/89/77/17/928897717.db2.gz JWEYJOFZPQTUIV-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001441986655 928899543 /nfs/dbraw/zinc/89/95/43/928899543.db2.gz BAEIXSAYLOCXFR-VIFPVBQESA-N 2 2 313.358 -1.756 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001442025051 928907835 /nfs/dbraw/zinc/90/78/35/928907835.db2.gz SKMUQWDOEZIKBA-GHMZBOCLSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001442025078 928908021 /nfs/dbraw/zinc/90/80/21/928908021.db2.gz SKMUQWDOEZIKBA-WDEREUQCSA-N 2 2 309.370 -1.360 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001442020680 928908663 /nfs/dbraw/zinc/90/86/63/928908663.db2.gz SDVDRFOGRZMEQI-NWDGAFQWSA-N 2 2 311.386 -1.011 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001442044780 928912468 /nfs/dbraw/zinc/91/24/68/928912468.db2.gz RICFVHJWCQBTGG-LBPRGKRZSA-N 2 2 311.386 -1.540 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001442064745 928919689 /nfs/dbraw/zinc/91/96/89/928919689.db2.gz VTCCLAUJFGXPKZ-VXGBXAGGSA-N 2 2 309.370 -1.477 20 0 DAADLP COCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001442183306 928934997 /nfs/dbraw/zinc/93/49/97/928934997.db2.gz GDUIJEYHYSOCAI-CYBMUJFWSA-N 2 2 312.414 -1.122 20 0 DAADLP COCC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001442183306 928935004 /nfs/dbraw/zinc/93/50/04/928935004.db2.gz GDUIJEYHYSOCAI-CYBMUJFWSA-N 2 2 312.414 -1.122 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442602343 928956671 /nfs/dbraw/zinc/95/66/71/928956671.db2.gz JDMRGSDIDDLRCF-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442602343 928956676 /nfs/dbraw/zinc/95/66/76/928956676.db2.gz JDMRGSDIDDLRCF-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442602348 928956694 /nfs/dbraw/zinc/95/66/94/928956694.db2.gz JDMRGSDIDDLRCF-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442602348 928956701 /nfs/dbraw/zinc/95/67/01/928956701.db2.gz JDMRGSDIDDLRCF-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442602346 928957348 /nfs/dbraw/zinc/95/73/48/928957348.db2.gz JDMRGSDIDDLRCF-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442602346 928957357 /nfs/dbraw/zinc/95/73/57/928957357.db2.gz JDMRGSDIDDLRCF-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001443738541 929025101 /nfs/dbraw/zinc/02/51/01/929025101.db2.gz YMPWDKKPGBDSNP-NSHDSACASA-N 2 2 323.397 -1.272 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001443738541 929025116 /nfs/dbraw/zinc/02/51/16/929025116.db2.gz YMPWDKKPGBDSNP-NSHDSACASA-N 2 2 323.397 -1.272 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744837 929025268 /nfs/dbraw/zinc/02/52/68/929025268.db2.gz VEAWNRRJMCXBRL-PWSUYJOCSA-N 2 2 313.402 -1.700 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744837 929025278 /nfs/dbraw/zinc/02/52/78/929025278.db2.gz VEAWNRRJMCXBRL-PWSUYJOCSA-N 2 2 313.402 -1.700 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001444102328 929055300 /nfs/dbraw/zinc/05/53/00/929055300.db2.gz HBFVVRWKPMSQSZ-YPMHNXCESA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444102328 929055311 /nfs/dbraw/zinc/05/53/11/929055311.db2.gz HBFVVRWKPMSQSZ-YPMHNXCESA-N 2 2 323.397 -1.052 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181798 929078750 /nfs/dbraw/zinc/07/87/50/929078750.db2.gz AELOJQZEOQCFHF-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181798 929078761 /nfs/dbraw/zinc/07/87/61/929078761.db2.gz AELOJQZEOQCFHF-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181798 929078773 /nfs/dbraw/zinc/07/87/73/929078773.db2.gz AELOJQZEOQCFHF-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181798 929078783 /nfs/dbraw/zinc/07/87/83/929078783.db2.gz AELOJQZEOQCFHF-YPMHNXCESA-N 2 2 323.397 -1.113 20 0 DAADLP CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001444222664 929087978 /nfs/dbraw/zinc/08/79/78/929087978.db2.gz QVIJMWVLLMLCDK-NWDGAFQWSA-N 2 2 311.386 -1.183 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001444463727 929126189 /nfs/dbraw/zinc/12/61/89/929126189.db2.gz FJJQIHJWZCQLIU-CQSZACIVSA-N 2 2 315.414 -1.092 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001444463727 929126195 /nfs/dbraw/zinc/12/61/95/929126195.db2.gz FJJQIHJWZCQLIU-CQSZACIVSA-N 2 2 315.414 -1.092 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001445034903 929161342 /nfs/dbraw/zinc/16/13/42/929161342.db2.gz RJGSNXBFNZKRCL-LLVKDONJSA-N 2 2 313.402 -1.074 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001445034903 929161349 /nfs/dbraw/zinc/16/13/49/929161349.db2.gz RJGSNXBFNZKRCL-LLVKDONJSA-N 2 2 313.402 -1.074 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001445034903 929161354 /nfs/dbraw/zinc/16/13/54/929161354.db2.gz RJGSNXBFNZKRCL-LLVKDONJSA-N 2 2 313.402 -1.074 20 0 DAADLP CNC(=O)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001445034903 929161355 /nfs/dbraw/zinc/16/13/55/929161355.db2.gz RJGSNXBFNZKRCL-LLVKDONJSA-N 2 2 313.402 -1.074 20 0 DAADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001445046389 929161439 /nfs/dbraw/zinc/16/14/39/929161439.db2.gz LJONRQKSVBMQTP-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001445046389 929161443 /nfs/dbraw/zinc/16/14/43/929161443.db2.gz LJONRQKSVBMQTP-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445181624 929178333 /nfs/dbraw/zinc/17/83/33/929178333.db2.gz KSSJRVCNHXGTLU-LBPRGKRZSA-N 2 2 323.397 -1.425 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445219326 929192636 /nfs/dbraw/zinc/19/26/36/929192636.db2.gz ZYCGPLXRSDWUBA-WDEREUQCSA-N 2 2 309.370 -1.742 20 0 DAADLP CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001445261761 929204941 /nfs/dbraw/zinc/20/49/41/929204941.db2.gz VTRGITZMCINFPS-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001445275120 929209949 /nfs/dbraw/zinc/20/99/49/929209949.db2.gz SJCLPOHSYMUBMQ-GHMZBOCLSA-N 2 2 311.390 -1.566 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001445282087 929211735 /nfs/dbraw/zinc/21/17/35/929211735.db2.gz XKKHVULQEYIKEY-WDEREUQCSA-N 2 2 309.370 -1.360 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001445277225 929213086 /nfs/dbraw/zinc/21/30/86/929213086.db2.gz HTYSMSIALVAXHD-VXGBXAGGSA-N 2 2 319.369 -1.271 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)nc1=O ZINC001445276946 929213563 /nfs/dbraw/zinc/21/35/63/929213563.db2.gz VTRARUZRWUNZQO-JTQLQIEISA-N 2 2 312.374 -2.229 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445372142 929218165 /nfs/dbraw/zinc/21/81/65/929218165.db2.gz JWJYRYCWLFHCHC-ZJUUUORDSA-N 2 2 315.374 -2.133 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445372142 929218174 /nfs/dbraw/zinc/21/81/74/929218174.db2.gz JWJYRYCWLFHCHC-ZJUUUORDSA-N 2 2 315.374 -2.133 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001445507964 929230980 /nfs/dbraw/zinc/23/09/80/929230980.db2.gz SFCIBRKKNYZOQE-VXGBXAGGSA-N 2 2 323.397 -1.020 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001445507964 929230989 /nfs/dbraw/zinc/23/09/89/929230989.db2.gz SFCIBRKKNYZOQE-VXGBXAGGSA-N 2 2 323.397 -1.020 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001446216942 929280903 /nfs/dbraw/zinc/28/09/03/929280903.db2.gz KKJKSPSHLBFRGT-NWDGAFQWSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001446217027 929281243 /nfs/dbraw/zinc/28/12/43/929281243.db2.gz XPWALAZOWRHDJQ-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001447063121 929367925 /nfs/dbraw/zinc/36/79/25/929367925.db2.gz XYXKIHBOPFNMNL-UTUOFQBUSA-N 2 2 321.381 -1.188 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447941199 929419161 /nfs/dbraw/zinc/41/91/61/929419161.db2.gz YDKYDDPEGCOSBV-NXEZZACHSA-N 2 2 324.385 -1.099 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001448732096 929466850 /nfs/dbraw/zinc/46/68/50/929466850.db2.gz MNGIDYZXQWQBJC-VIFPVBQESA-N 2 2 310.358 -1.156 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001448732092 929467956 /nfs/dbraw/zinc/46/79/56/929467956.db2.gz MNGIDYZXQWQBJC-SECBINFHSA-N 2 2 310.358 -1.156 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001448776327 929471371 /nfs/dbraw/zinc/47/13/71/929471371.db2.gz DFJBCCHTNTZPDX-MRVPVSSYSA-N 2 2 310.358 -1.108 20 0 DAADLP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448829202 929486013 /nfs/dbraw/zinc/48/60/13/929486013.db2.gz JLVXWXFLXCPMRH-YPMHNXCESA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448829202 929486021 /nfs/dbraw/zinc/48/60/21/929486021.db2.gz JLVXWXFLXCPMRH-YPMHNXCESA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448829196 929487124 /nfs/dbraw/zinc/48/71/24/929487124.db2.gz JLVXWXFLXCPMRH-WCQYABFASA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448829196 929487126 /nfs/dbraw/zinc/48/71/26/929487126.db2.gz JLVXWXFLXCPMRH-WCQYABFASA-N 2 2 311.386 -1.683 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001448862579 929499789 /nfs/dbraw/zinc/49/97/89/929499789.db2.gz SGLSGTZCPOQNTK-RYUDHWBXSA-N 2 2 323.397 -1.400 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001448873774 929501861 /nfs/dbraw/zinc/50/18/61/929501861.db2.gz BSDBIUBSZFORAR-LLVKDONJSA-N 2 2 311.386 -1.492 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001448872473 929502187 /nfs/dbraw/zinc/50/21/87/929502187.db2.gz FTJKUEKNBGPIIJ-VXGBXAGGSA-N 2 2 309.370 -1.382 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001448872469 929502724 /nfs/dbraw/zinc/50/27/24/929502724.db2.gz FTJKUEKNBGPIIJ-RYUDHWBXSA-N 2 2 309.370 -1.382 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001448876566 929503355 /nfs/dbraw/zinc/50/33/55/929503355.db2.gz FCXYVGKNODUCHZ-NWDGAFQWSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001448876558 929504073 /nfs/dbraw/zinc/50/40/73/929504073.db2.gz FCXYVGKNODUCHZ-NEPJUHHUSA-N 2 2 323.397 -1.350 20 0 DAADLP CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001448878345 929504939 /nfs/dbraw/zinc/50/49/39/929504939.db2.gz SWKRBWCALYUNPM-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946604 929522436 /nfs/dbraw/zinc/52/24/36/929522436.db2.gz DVVIXLUGZCYZPX-NWDGAFQWSA-N 2 2 316.402 -2.138 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946604 929522439 /nfs/dbraw/zinc/52/24/39/929522439.db2.gz DVVIXLUGZCYZPX-NWDGAFQWSA-N 2 2 316.402 -2.138 20 0 DAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448948870 929523017 /nfs/dbraw/zinc/52/30/17/929523017.db2.gz QGRCMJJZCKKTFL-NSHDSACASA-N 2 2 308.386 -1.522 20 0 DAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448948869 929523411 /nfs/dbraw/zinc/52/34/11/929523411.db2.gz QGRCMJJZCKKTFL-LLVKDONJSA-N 2 2 308.386 -1.522 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001448957411 929527156 /nfs/dbraw/zinc/52/71/56/929527156.db2.gz RVVNOGZMRZQFGJ-LLVKDONJSA-N 2 2 307.358 -1.413 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001449132563 929548723 /nfs/dbraw/zinc/54/87/23/929548723.db2.gz MOQSOHBICMXJPK-RYUDHWBXSA-N 2 2 323.397 -1.400 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCn1cc[nH+]c1 ZINC001449129853 929549710 /nfs/dbraw/zinc/54/97/10/929549710.db2.gz DZRJBDBJYYJNCN-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001449140973 929551287 /nfs/dbraw/zinc/55/12/87/929551287.db2.gz ZIZAQORNTGDPNR-JQWIXIFHSA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214492 929569603 /nfs/dbraw/zinc/56/96/03/929569603.db2.gz NSSYNNHKAYHRIT-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214492 929569616 /nfs/dbraw/zinc/56/96/16/929569616.db2.gz NSSYNNHKAYHRIT-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CNC(=O)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOC ZINC001449336852 929581287 /nfs/dbraw/zinc/58/12/87/929581287.db2.gz FDPHCGLLBSKTEC-UHFFFAOYSA-N 2 2 312.414 -1.107 20 0 DAADLP CNC(=O)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOC ZINC001449336852 929581291 /nfs/dbraw/zinc/58/12/91/929581291.db2.gz FDPHCGLLBSKTEC-UHFFFAOYSA-N 2 2 312.414 -1.107 20 0 DAADLP [NH3+]CCNCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001521433127 929659591 /nfs/dbraw/zinc/65/95/91/929659591.db2.gz BXQWFZXNVIOEAY-UHFFFAOYSA-N 2 2 311.430 -1.309 20 0 DAADLP [NH3+]CCNCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001521433127 929659599 /nfs/dbraw/zinc/65/95/99/929659599.db2.gz BXQWFZXNVIOEAY-UHFFFAOYSA-N 2 2 311.430 -1.309 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001548647523 930035068 /nfs/dbraw/zinc/03/50/68/930035068.db2.gz VMTDXXOAWRBNNZ-FRRDWIJNSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001548647523 930035075 /nfs/dbraw/zinc/03/50/75/930035075.db2.gz VMTDXXOAWRBNNZ-FRRDWIJNSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001548647523 930035084 /nfs/dbraw/zinc/03/50/84/930035084.db2.gz VMTDXXOAWRBNNZ-FRRDWIJNSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001548647523 930035093 /nfs/dbraw/zinc/03/50/93/930035093.db2.gz VMTDXXOAWRBNNZ-FRRDWIJNSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001548647527 930035159 /nfs/dbraw/zinc/03/51/59/930035159.db2.gz VMTDXXOAWRBNNZ-UPJWGTAASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001548647527 930035165 /nfs/dbraw/zinc/03/51/65/930035165.db2.gz VMTDXXOAWRBNNZ-UPJWGTAASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001548647527 930035178 /nfs/dbraw/zinc/03/51/78/930035178.db2.gz VMTDXXOAWRBNNZ-UPJWGTAASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001548647527 930035188 /nfs/dbraw/zinc/03/51/88/930035188.db2.gz VMTDXXOAWRBNNZ-UPJWGTAASA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731085 930039509 /nfs/dbraw/zinc/03/95/09/930039509.db2.gz DQDGOVAXDHDUOL-KBPBESRZSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731085 930039521 /nfs/dbraw/zinc/03/95/21/930039521.db2.gz DQDGOVAXDHDUOL-KBPBESRZSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001548731085 930039537 /nfs/dbraw/zinc/03/95/37/930039537.db2.gz DQDGOVAXDHDUOL-KBPBESRZSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001548731085 930039550 /nfs/dbraw/zinc/03/95/50/930039550.db2.gz DQDGOVAXDHDUOL-KBPBESRZSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H](C(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1)N1CC[NH2+]CC1=O ZINC001549733006 930058072 /nfs/dbraw/zinc/05/80/72/930058072.db2.gz FSVXMSFVXXZTBL-UTUOFQBUSA-N 2 2 320.397 -1.507 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000662953183 545649804 /nfs/dbraw/zinc/64/98/04/545649804.db2.gz LFQZNKZILRKWLX-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001191785791 781924918 /nfs/dbraw/zinc/92/49/18/781924918.db2.gz TYZYCLFYZJYHKJ-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001191785791 781924925 /nfs/dbraw/zinc/92/49/25/781924925.db2.gz TYZYCLFYZJYHKJ-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191785791 781924928 /nfs/dbraw/zinc/92/49/28/781924928.db2.gz TYZYCLFYZJYHKJ-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191785791 781924931 /nfs/dbraw/zinc/92/49/31/781924931.db2.gz TYZYCLFYZJYHKJ-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP C[C@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000670639831 545655030 /nfs/dbraw/zinc/65/50/30/545655030.db2.gz LXLPQQZHVIZVSF-RYUDHWBXSA-N 2 2 309.370 -1.165 20 0 DAADLP C[C@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670639831 545655038 /nfs/dbraw/zinc/65/50/38/545655038.db2.gz LXLPQQZHVIZVSF-RYUDHWBXSA-N 2 2 309.370 -1.165 20 0 DAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191785970 781926283 /nfs/dbraw/zinc/92/62/83/781926283.db2.gz WZYWFRJOYOSOAS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191785970 781926258 /nfs/dbraw/zinc/92/62/58/781926258.db2.gz WZYWFRJOYOSOAS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191785970 781926270 /nfs/dbraw/zinc/92/62/70/781926270.db2.gz WZYWFRJOYOSOAS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191785970 781926275 /nfs/dbraw/zinc/92/62/75/781926275.db2.gz WZYWFRJOYOSOAS-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000342456139 545691454 /nfs/dbraw/zinc/69/14/54/545691454.db2.gz RUTHMHCOSUPXNA-WDEREUQCSA-N 2 2 311.386 -1.321 20 0 DAADLP CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000342456139 545691463 /nfs/dbraw/zinc/69/14/63/545691463.db2.gz RUTHMHCOSUPXNA-WDEREUQCSA-N 2 2 311.386 -1.321 20 0 DAADLP C[NH+](CCO)CC(=O)N1CCN(C(=O)C[N@H+](C)CCO)CC1 ZINC000343712630 545706236 /nfs/dbraw/zinc/70/62/36/545706236.db2.gz BAMRWKITIRVGMR-UHFFFAOYSA-N 2 2 316.402 -2.495 20 0 DAADLP C[NH+](CCO)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCO)CC1 ZINC000343712630 545706246 /nfs/dbraw/zinc/70/62/46/545706246.db2.gz BAMRWKITIRVGMR-UHFFFAOYSA-N 2 2 316.402 -2.495 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000368626870 545751001 /nfs/dbraw/zinc/75/10/01/545751001.db2.gz UZAQKWIQOHHCIY-NSHDSACASA-N 2 2 304.416 -1.487 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000368626870 545751016 /nfs/dbraw/zinc/75/10/16/545751016.db2.gz UZAQKWIQOHHCIY-NSHDSACASA-N 2 2 304.416 -1.487 20 0 DAADLP CN1C(=O)CN(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000628062522 372788164 /nfs/dbraw/zinc/78/81/64/372788164.db2.gz IXOHPJPXHKIZDL-UHFFFAOYSA-N 2 2 313.402 -1.120 20 0 DAADLP CN1C(=O)CN(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000628062522 372788173 /nfs/dbraw/zinc/78/81/73/372788173.db2.gz IXOHPJPXHKIZDL-UHFFFAOYSA-N 2 2 313.402 -1.120 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000643574464 372768280 /nfs/dbraw/zinc/76/82/80/372768280.db2.gz CTGFWRPYYCGMKJ-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000643574464 372768291 /nfs/dbraw/zinc/76/82/91/372768291.db2.gz CTGFWRPYYCGMKJ-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000625483715 372821579 /nfs/dbraw/zinc/82/15/79/372821579.db2.gz UMFFZYIFANDNQM-UHFFFAOYSA-N 2 2 309.370 -1.244 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@H](C)C1 ZINC000557297370 372811195 /nfs/dbraw/zinc/81/11/95/372811195.db2.gz DRHWSAHXKAHGLV-SNVBAGLBSA-N 2 2 312.370 -1.830 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@H](C)C1 ZINC000557297370 372811204 /nfs/dbraw/zinc/81/12/04/372811204.db2.gz DRHWSAHXKAHGLV-SNVBAGLBSA-N 2 2 312.370 -1.830 20 0 DAADLP COCC[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632254865 372836506 /nfs/dbraw/zinc/83/65/06/372836506.db2.gz BAONJNMLPPAICM-CHWSQXEVSA-N 2 2 321.443 -1.043 20 0 DAADLP COCC[N@H+]1CC[C@@H](NS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632254865 372836512 /nfs/dbraw/zinc/83/65/12/372836512.db2.gz BAONJNMLPPAICM-CHWSQXEVSA-N 2 2 321.443 -1.043 20 0 DAADLP COCC[NH+]1CC[C@@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632254865 372836517 /nfs/dbraw/zinc/83/65/17/372836517.db2.gz BAONJNMLPPAICM-CHWSQXEVSA-N 2 2 321.443 -1.043 20 0 DAADLP COCC[NH+]1CC[C@@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632254865 372836525 /nfs/dbraw/zinc/83/65/25/372836525.db2.gz BAONJNMLPPAICM-CHWSQXEVSA-N 2 2 321.443 -1.043 20 0 DAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCCOCC2)C1 ZINC000632259495 372840068 /nfs/dbraw/zinc/84/00/68/372840068.db2.gz MBZRUWHHOYOLTQ-ZDUSSCGKSA-N 2 2 321.443 -1.041 20 0 DAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCCOCC2)C1 ZINC000632259495 372840073 /nfs/dbraw/zinc/84/00/73/372840073.db2.gz MBZRUWHHOYOLTQ-ZDUSSCGKSA-N 2 2 321.443 -1.041 20 0 DAADLP C[NH+]1CCO[C@H](CS(=O)(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000632259495 372840077 /nfs/dbraw/zinc/84/00/77/372840077.db2.gz MBZRUWHHOYOLTQ-ZDUSSCGKSA-N 2 2 321.443 -1.041 20 0 DAADLP C[NH+]1CCO[C@H](CS(=O)(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000632259495 372840082 /nfs/dbraw/zinc/84/00/82/372840082.db2.gz MBZRUWHHOYOLTQ-ZDUSSCGKSA-N 2 2 321.443 -1.041 20 0 DAADLP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@H+](C)CCO1 ZINC000627355551 372844176 /nfs/dbraw/zinc/84/41/76/372844176.db2.gz JRQATECPFPNNSN-QJPTWQEYSA-N 2 2 314.386 -2.074 20 0 DAADLP C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000627355551 372844186 /nfs/dbraw/zinc/84/41/86/372844186.db2.gz JRQATECPFPNNSN-QJPTWQEYSA-N 2 2 314.386 -2.074 20 0 DAADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237448972 372865684 /nfs/dbraw/zinc/86/56/84/372865684.db2.gz RWSLRWFZAKDJBU-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000238107980 372869586 /nfs/dbraw/zinc/86/95/86/372869586.db2.gz FKGJJBSQKOSNDD-ZDUSSCGKSA-N 2 2 310.398 -1.401 20 0 DAADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000583444355 372870049 /nfs/dbraw/zinc/87/00/49/372870049.db2.gz XICSTGJPTFHSGE-UHFFFAOYSA-N 2 2 322.413 -1.258 20 0 DAADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000583444355 372870052 /nfs/dbraw/zinc/87/00/52/372870052.db2.gz XICSTGJPTFHSGE-UHFFFAOYSA-N 2 2 322.413 -1.258 20 0 DAADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000237191853 372859300 /nfs/dbraw/zinc/85/93/00/372859300.db2.gz HCNVFAIESNESNR-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569710505 372902818 /nfs/dbraw/zinc/90/28/18/372902818.db2.gz SSSGBKWCXNZINS-ZJUUUORDSA-N 2 2 311.386 -1.146 20 0 DAADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569710505 372902825 /nfs/dbraw/zinc/90/28/25/372902825.db2.gz SSSGBKWCXNZINS-ZJUUUORDSA-N 2 2 311.386 -1.146 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000570060843 372908275 /nfs/dbraw/zinc/90/82/75/372908275.db2.gz UESHMMVFUVHTBG-OLZOCXBDSA-N 3 2 309.414 -1.606 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000570060843 372908280 /nfs/dbraw/zinc/90/82/80/372908280.db2.gz UESHMMVFUVHTBG-OLZOCXBDSA-N 3 2 309.414 -1.606 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000570060844 372909627 /nfs/dbraw/zinc/90/96/27/372909627.db2.gz UESHMMVFUVHTBG-QWHCGFSZSA-N 3 2 309.414 -1.606 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000570060844 372909631 /nfs/dbraw/zinc/90/96/31/372909631.db2.gz UESHMMVFUVHTBG-QWHCGFSZSA-N 3 2 309.414 -1.606 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000570060845 372909956 /nfs/dbraw/zinc/90/99/56/372909956.db2.gz UESHMMVFUVHTBG-STQMWFEESA-N 3 2 309.414 -1.606 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000570060845 372909963 /nfs/dbraw/zinc/90/99/63/372909963.db2.gz UESHMMVFUVHTBG-STQMWFEESA-N 3 2 309.414 -1.606 20 0 DAADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000575063177 372921476 /nfs/dbraw/zinc/92/14/76/372921476.db2.gz MFERTFOZWQBEEF-QWHCGFSZSA-N 2 2 322.413 -1.235 20 0 DAADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000575063177 372921485 /nfs/dbraw/zinc/92/14/85/372921485.db2.gz MFERTFOZWQBEEF-QWHCGFSZSA-N 2 2 322.413 -1.235 20 0 DAADLP CC[NH+]1CCN(CC(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)CC1 ZINC000592964291 372978556 /nfs/dbraw/zinc/97/85/56/372978556.db2.gz QVYJDJPRMYURHO-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000592959303 372978591 /nfs/dbraw/zinc/97/85/91/372978591.db2.gz HPIFSHDUXWOPAS-NEPJUHHUSA-N 2 2 317.386 -1.582 20 0 DAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000599931961 373051892 /nfs/dbraw/zinc/05/18/92/373051892.db2.gz KSQKFDPEWUBTCP-WOPDTQHZSA-N 2 2 311.386 -1.730 20 0 DAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000599931961 373051900 /nfs/dbraw/zinc/05/19/00/373051900.db2.gz KSQKFDPEWUBTCP-WOPDTQHZSA-N 2 2 311.386 -1.730 20 0 DAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000599931958 373053274 /nfs/dbraw/zinc/05/32/74/373053274.db2.gz KSQKFDPEWUBTCP-GRYCIOLGSA-N 2 2 311.386 -1.730 20 0 DAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000599931958 373053276 /nfs/dbraw/zinc/05/32/76/373053276.db2.gz KSQKFDPEWUBTCP-GRYCIOLGSA-N 2 2 311.386 -1.730 20 0 DAADLP C[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000602522141 373063353 /nfs/dbraw/zinc/06/33/53/373063353.db2.gz DDNGLOQGMSYAJM-MXWKQRLJSA-N 2 2 309.370 -2.423 20 0 DAADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602491303 373063479 /nfs/dbraw/zinc/06/34/79/373063479.db2.gz GCAWOGRATUDUND-MNOVXSKESA-N 2 2 312.370 -1.830 20 0 DAADLP C[NH2+]CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262220583 373093104 /nfs/dbraw/zinc/09/31/04/373093104.db2.gz ZTXHPHCXICGMAD-UHFFFAOYSA-N 2 2 319.431 -2.158 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000366208217 373122263 /nfs/dbraw/zinc/12/22/63/373122263.db2.gz HFRUFORJVHTAMI-LLVKDONJSA-N 2 2 311.386 -1.190 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000366208217 373122270 /nfs/dbraw/zinc/12/22/70/373122270.db2.gz HFRUFORJVHTAMI-LLVKDONJSA-N 2 2 311.386 -1.190 20 0 DAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000534268004 373131982 /nfs/dbraw/zinc/13/19/82/373131982.db2.gz FPZAQVJBVXHRRE-OAHLLOKOSA-N 2 2 323.441 -1.343 20 0 DAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000534268004 373131986 /nfs/dbraw/zinc/13/19/86/373131986.db2.gz FPZAQVJBVXHRRE-OAHLLOKOSA-N 2 2 323.441 -1.343 20 0 DAADLP CCS(=O)(=O)NCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563443391 373136037 /nfs/dbraw/zinc/13/60/37/373136037.db2.gz WPEKRANLROFWHU-WDEREUQCSA-N 2 2 304.416 -1.440 20 0 DAADLP CCS(=O)(=O)NCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563443391 373136052 /nfs/dbraw/zinc/13/60/52/373136052.db2.gz WPEKRANLROFWHU-WDEREUQCSA-N 2 2 304.416 -1.440 20 0 DAADLP C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000339815749 373137222 /nfs/dbraw/zinc/13/72/22/373137222.db2.gz ZWLOFJLRBHVMSX-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)CN2CCCC2)CC1 ZINC000571283909 373142032 /nfs/dbraw/zinc/14/20/32/373142032.db2.gz FLYFIRINFVCIBA-LSDHHAIUSA-N 2 2 300.447 -1.359 20 0 DAADLP CN1CC[NH+](C[C@H](O)CN[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000571283909 373142038 /nfs/dbraw/zinc/14/20/38/373142038.db2.gz FLYFIRINFVCIBA-LSDHHAIUSA-N 2 2 300.447 -1.359 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000263260729 373144459 /nfs/dbraw/zinc/14/44/59/373144459.db2.gz SOHGTFTXPWSBJH-OCCSQVGLSA-N 2 2 313.446 -1.162 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000263248071 373145209 /nfs/dbraw/zinc/14/52/09/373145209.db2.gz NPBKZRKTJFQOTL-AAEUAGOBSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000263248071 373145212 /nfs/dbraw/zinc/14/52/12/373145212.db2.gz NPBKZRKTJFQOTL-AAEUAGOBSA-N 2 2 300.403 -1.077 20 0 DAADLP C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1=O ZINC000638236302 373211120 /nfs/dbraw/zinc/21/11/20/373211120.db2.gz BLXWVQUVEWSBGQ-OLZOCXBDSA-N 2 2 309.414 -1.687 20 0 DAADLP C[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638142017 373211333 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C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000617763478 373276950 /nfs/dbraw/zinc/27/69/50/373276950.db2.gz SFDAKWMVVLDXFS-NSHDSACASA-N 2 2 306.432 -1.322 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000617763478 373276961 /nfs/dbraw/zinc/27/69/61/373276961.db2.gz SFDAKWMVVLDXFS-NSHDSACASA-N 2 2 306.432 -1.322 20 0 DAADLP CCN(CC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638519612 373227654 /nfs/dbraw/zinc/22/76/54/373227654.db2.gz XZNLGKIXXVWLFG-CYBMUJFWSA-N 2 2 312.414 -1.026 20 0 DAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638927995 373248670 /nfs/dbraw/zinc/24/86/70/373248670.db2.gz ILJIDRLUNKAWPN-RDBSUJKOSA-N 2 2 322.409 -1.260 20 0 DAADLP CCS(=O)(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765721 373278696 /nfs/dbraw/zinc/27/86/96/373278696.db2.gz NNRMMSRJKWQTEK-UHFFFAOYSA-N 2 2 308.448 -1.075 20 0 DAADLP CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765721 373278703 /nfs/dbraw/zinc/27/87/03/373278703.db2.gz NNRMMSRJKWQTEK-UHFFFAOYSA-N 2 2 308.448 -1.075 20 0 DAADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000127592113 373259317 /nfs/dbraw/zinc/25/93/17/373259317.db2.gz QFJFSRUWQDLLTK-CHWSQXEVSA-N 2 2 310.398 -1.355 20 0 DAADLP C[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717169 373259572 /nfs/dbraw/zinc/25/95/72/373259572.db2.gz VFYMXRVDUJVKGI-QWHCGFSZSA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)[NH+]1CC(C)C1 ZINC000563717169 373259576 /nfs/dbraw/zinc/25/95/76/373259576.db2.gz VFYMXRVDUJVKGI-QWHCGFSZSA-N 2 2 312.414 -1.029 20 0 DAADLP CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000179111846 373300888 /nfs/dbraw/zinc/30/08/88/373300888.db2.gz GYDMVYINVSOQSQ-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@H]1NC(=O)N(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051704 373310114 /nfs/dbraw/zinc/31/01/14/373310114.db2.gz WTYJLLXFHSCKQU-LLVKDONJSA-N 2 2 311.386 -1.368 20 0 DAADLP C[C@H]1NC(=O)N(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051704 373310118 /nfs/dbraw/zinc/31/01/18/373310118.db2.gz WTYJLLXFHSCKQU-LLVKDONJSA-N 2 2 311.386 -1.368 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643481136 373321526 /nfs/dbraw/zinc/32/15/26/373321526.db2.gz UEXYETIDELVDPS-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000419994215 373323876 /nfs/dbraw/zinc/32/38/76/373323876.db2.gz GLMMLUBTSFKJGW-MNOVXSKESA-N 2 2 314.386 -1.454 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000419994215 373323882 /nfs/dbraw/zinc/32/38/82/373323882.db2.gz GLMMLUBTSFKJGW-MNOVXSKESA-N 2 2 314.386 -1.454 20 0 DAADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419869947 373324127 /nfs/dbraw/zinc/32/41/27/373324127.db2.gz NPTKEUVBEIRLPE-UHFFFAOYSA-N 2 2 323.441 -1.296 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000419994214 373324386 /nfs/dbraw/zinc/32/43/86/373324386.db2.gz GLMMLUBTSFKJGW-GHMZBOCLSA-N 2 2 314.386 -1.454 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000419994214 373324391 /nfs/dbraw/zinc/32/43/91/373324391.db2.gz GLMMLUBTSFKJGW-GHMZBOCLSA-N 2 2 314.386 -1.454 20 0 DAADLP CN1CC(=O)N(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000617768884 373280737 /nfs/dbraw/zinc/28/07/37/373280737.db2.gz YAVKENWUBOHJNA-UHFFFAOYSA-N 2 2 313.402 -1.120 20 0 DAADLP CN1CC(=O)N(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000617768884 373280746 /nfs/dbraw/zinc/28/07/46/373280746.db2.gz YAVKENWUBOHJNA-UHFFFAOYSA-N 2 2 313.402 -1.120 20 0 DAADLP C[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261789829 373332114 /nfs/dbraw/zinc/33/21/14/373332114.db2.gz QUMVUPSQERTBNO-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261790865 373332189 /nfs/dbraw/zinc/33/21/89/373332189.db2.gz QUMVUPSQERTBNO-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[NH2+]C1 ZINC000262409610 373333652 /nfs/dbraw/zinc/33/36/52/373333652.db2.gz QLGGWELXNSHNSJ-OCCSQVGLSA-N 2 2 324.425 -1.109 20 0 DAADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000423354610 373345724 /nfs/dbraw/zinc/34/57/24/373345724.db2.gz DBAZHAAXFZTJMI-STQMWFEESA-N 2 2 312.414 -1.061 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623209 373347271 /nfs/dbraw/zinc/34/72/71/373347271.db2.gz BNAZLQKVHKNZBJ-RWMBFGLXSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000629783674 373402665 /nfs/dbraw/zinc/40/26/65/373402665.db2.gz HBEAQPQARCAQBW-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC2 ZINC000629801008 373405067 /nfs/dbraw/zinc/40/50/67/373405067.db2.gz GHPYKWTZSANAAX-UHFFFAOYSA-N 2 2 309.370 -1.033 20 0 DAADLP NS(=O)(=O)CCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000641819016 373427372 /nfs/dbraw/zinc/42/73/72/373427372.db2.gz FZGFRHKCJONVLG-UHFFFAOYSA-N 2 2 319.431 -1.692 20 0 DAADLP NS(=O)(=O)CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000641798136 373427405 /nfs/dbraw/zinc/42/74/05/373427405.db2.gz LDFZNPBAEMRVAE-NSHDSACASA-N 2 2 304.416 -1.439 20 0 DAADLP NS(=O)(=O)CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000641798136 373427408 /nfs/dbraw/zinc/42/74/08/373427408.db2.gz LDFZNPBAEMRVAE-NSHDSACASA-N 2 2 304.416 -1.439 20 0 DAADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000629518773 373388168 /nfs/dbraw/zinc/38/81/68/373388168.db2.gz OPOIPPSFZSRKRY-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000629518773 373388182 /nfs/dbraw/zinc/38/81/82/373388182.db2.gz OPOIPPSFZSRKRY-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP COC[C@]1(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000629606320 373399398 /nfs/dbraw/zinc/39/93/98/373399398.db2.gz FOLQMAPXYAHCQI-ZFWWWQNUSA-N 2 2 315.414 -1.236 20 0 DAADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000629610003 373400097 /nfs/dbraw/zinc/40/00/97/373400097.db2.gz ZANOQYZDJXKEKZ-KGLIPLIRSA-N 2 2 314.430 -1.391 20 0 DAADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000629610003 373400107 /nfs/dbraw/zinc/40/01/07/373400107.db2.gz ZANOQYZDJXKEKZ-KGLIPLIRSA-N 2 2 314.430 -1.391 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000629607065 373400235 /nfs/dbraw/zinc/40/02/35/373400235.db2.gz KEEINDKGFDVOOO-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C[NH+]1CCOCC1 ZINC000631921386 373440785 /nfs/dbraw/zinc/44/07/85/373440785.db2.gz FGVVYQZPQUJRAF-QWHCGFSZSA-N 2 2 321.443 -1.138 20 0 DAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237501968 373459517 /nfs/dbraw/zinc/45/95/17/373459517.db2.gz JIIRODUDKBBRBG-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000565255768 373520428 /nfs/dbraw/zinc/52/04/28/373520428.db2.gz ULVJXEPJFVCVHT-LBPRGKRZSA-N 2 2 318.381 -1.088 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165616 373522269 /nfs/dbraw/zinc/52/22/69/373522269.db2.gz PJPGADNHOMMMOW-NEPJUHHUSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165616 373522270 /nfs/dbraw/zinc/52/22/70/373522270.db2.gz PJPGADNHOMMMOW-NEPJUHHUSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165616 373522271 /nfs/dbraw/zinc/52/22/71/373522271.db2.gz PJPGADNHOMMMOW-NEPJUHHUSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165616 373522273 /nfs/dbraw/zinc/52/22/73/373522273.db2.gz PJPGADNHOMMMOW-NEPJUHHUSA-N 2 2 309.432 -1.322 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566413761 373526764 /nfs/dbraw/zinc/52/67/64/373526764.db2.gz IQIAFWSALROSMK-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566413761 373526771 /nfs/dbraw/zinc/52/67/71/373526771.db2.gz IQIAFWSALROSMK-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000566413761 373526773 /nfs/dbraw/zinc/52/67/73/373526773.db2.gz IQIAFWSALROSMK-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413761 373526778 /nfs/dbraw/zinc/52/67/78/373526778.db2.gz IQIAFWSALROSMK-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566413760 373527629 /nfs/dbraw/zinc/52/76/29/373527629.db2.gz IQIAFWSALROSMK-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000566413760 373527633 /nfs/dbraw/zinc/52/76/33/373527633.db2.gz IQIAFWSALROSMK-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000566413760 373527644 /nfs/dbraw/zinc/52/76/44/373527644.db2.gz IQIAFWSALROSMK-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413760 373527654 /nfs/dbraw/zinc/52/76/54/373527654.db2.gz IQIAFWSALROSMK-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP COC[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000567822828 373536993 /nfs/dbraw/zinc/53/69/93/373536993.db2.gz XYVJMDDUCHLVPC-NSHDSACASA-N 2 2 303.359 -1.706 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000578884364 373586212 /nfs/dbraw/zinc/58/62/12/373586212.db2.gz LMIKOTFGWYIIKS-UONOGXRCSA-N 3 2 323.441 -1.169 20 0 DAADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000578884364 373586215 /nfs/dbraw/zinc/58/62/15/373586215.db2.gz LMIKOTFGWYIIKS-UONOGXRCSA-N 3 2 323.441 -1.169 20 0 DAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000579236397 373589063 /nfs/dbraw/zinc/58/90/63/373589063.db2.gz PPPXXOXIJFPCSO-MNOVXSKESA-N 2 2 312.370 -1.700 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000579207829 373589421 /nfs/dbraw/zinc/58/94/21/373589421.db2.gz FQSDYACPKRCWRX-UONOGXRCSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000579207829 373589431 /nfs/dbraw/zinc/58/94/31/373589431.db2.gz FQSDYACPKRCWRX-UONOGXRCSA-N 2 2 324.425 -1.061 20 0 DAADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000573815284 373555329 /nfs/dbraw/zinc/55/53/29/373555329.db2.gz NYBZVPVSZDQWIN-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573507333 373557393 /nfs/dbraw/zinc/55/73/93/373557393.db2.gz YOXFWHXNQLZRAB-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP CCCCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573507333 373557399 /nfs/dbraw/zinc/55/73/99/373557399.db2.gz YOXFWHXNQLZRAB-GHMZBOCLSA-N 2 2 311.386 -1.144 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000576714105 373570268 /nfs/dbraw/zinc/57/02/68/373570268.db2.gz MRDOOOWHUFNJSQ-GFCCVEGCSA-N 2 2 304.387 -1.075 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C[NH3+])OC ZINC000576696494 373570312 /nfs/dbraw/zinc/57/03/12/373570312.db2.gz UBXZAFDSWCXBBT-LLVKDONJSA-N 2 2 303.359 -1.706 20 0 DAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000580554848 373571197 /nfs/dbraw/zinc/57/11/97/373571197.db2.gz CPHPYHRXNQMVKC-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000580554848 373571205 /nfs/dbraw/zinc/57/12/05/373571205.db2.gz CPHPYHRXNQMVKC-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000580554847 373571241 /nfs/dbraw/zinc/57/12/41/373571241.db2.gz CPHPYHRXNQMVKC-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000580554847 373571252 /nfs/dbraw/zinc/57/12/52/373571252.db2.gz CPHPYHRXNQMVKC-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000576714111 373571455 /nfs/dbraw/zinc/57/14/55/373571455.db2.gz MRDOOOWHUFNJSQ-LBPRGKRZSA-N 2 2 304.387 -1.075 20 0 DAADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NCCOC)CC1 ZINC000577046894 373574318 /nfs/dbraw/zinc/57/43/18/373574318.db2.gz SQXVAAJXYKUFDI-CQSZACIVSA-N 2 2 316.446 -1.321 20 0 DAADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NCCOC)CC1 ZINC000577046894 373574322 /nfs/dbraw/zinc/57/43/22/373574322.db2.gz SQXVAAJXYKUFDI-CQSZACIVSA-N 2 2 316.446 -1.321 20 0 DAADLP Cn1ncc2c1ncn(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c2=O ZINC000577847273 373576155 /nfs/dbraw/zinc/57/61/55/373576155.db2.gz FZDJINWPXAXPAH-SNVBAGLBSA-N 2 2 319.369 -1.769 20 0 DAADLP Cn1ncc2c1ncn(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c2=O ZINC000577847273 373576160 /nfs/dbraw/zinc/57/61/60/373576160.db2.gz FZDJINWPXAXPAH-SNVBAGLBSA-N 2 2 319.369 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2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@@](O)(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632214057 373710199 /nfs/dbraw/zinc/71/01/99/373710199.db2.gz QMJDWJRYJUTANF-NWDGAFQWSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CC[C@@](O)(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632214057 373710203 /nfs/dbraw/zinc/71/02/03/373710203.db2.gz QMJDWJRYJUTANF-NWDGAFQWSA-N 2 2 307.416 -1.697 20 0 DAADLP C[NH+]1CCN(c2ccc(CNc3nc(N)[nH+]c(N)n3)cn2)CC1 ZINC000623830618 373662850 /nfs/dbraw/zinc/66/28/50/373662850.db2.gz SZDSKCPQJNFTSW-UHFFFAOYSA-N 2 2 315.385 -1.122 20 0 DAADLP C[NH+]1CCN(c2ccc(CNc3nc(N)nc(N)[nH+]3)cn2)CC1 ZINC000623830618 373662864 /nfs/dbraw/zinc/66/28/64/373662864.db2.gz SZDSKCPQJNFTSW-UHFFFAOYSA-N 2 2 315.385 -1.122 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000627359011 373671915 /nfs/dbraw/zinc/67/19/15/373671915.db2.gz XMQZYHVVMDQRLU-LBPRGKRZSA-N 2 2 316.402 -1.825 20 0 DAADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000627469511 373682046 /nfs/dbraw/zinc/68/20/46/373682046.db2.gz WOYBIPGNWOLAQG-CHWSQXEVSA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000627469511 373682055 /nfs/dbraw/zinc/68/20/55/373682055.db2.gz WOYBIPGNWOLAQG-CHWSQXEVSA-N 2 2 312.414 -1.110 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627488710 373686269 /nfs/dbraw/zinc/68/62/69/373686269.db2.gz GWNDXEBDQNWVRM-UHFFFAOYSA-N 2 2 316.402 -1.741 20 0 DAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627503231 373687076 /nfs/dbraw/zinc/68/70/76/373687076.db2.gz DUDDIZJGAMUJDO-YNEHKIRRSA-N 2 2 310.398 -1.214 20 0 DAADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631874152 373698166 /nfs/dbraw/zinc/69/81/66/373698166.db2.gz YETXLUBVZJKDFT-GFCCVEGCSA-N 2 2 313.402 -1.562 20 0 DAADLP CNC(=O)NC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000631874152 373698177 /nfs/dbraw/zinc/69/81/77/373698177.db2.gz YETXLUBVZJKDFT-GFCCVEGCSA-N 2 2 313.402 -1.562 20 0 DAADLP COCC[N@@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000631921665 373699978 /nfs/dbraw/zinc/69/99/78/373699978.db2.gz SXMUXZMYDOFJGQ-STQMWFEESA-N 2 2 321.443 -1.043 20 0 DAADLP COCC[N@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000631921665 373699985 /nfs/dbraw/zinc/69/99/85/373699985.db2.gz SXMUXZMYDOFJGQ-STQMWFEESA-N 2 2 321.443 -1.043 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)CCC[NH+](C)C ZINC000632081099 373705716 /nfs/dbraw/zinc/70/57/16/373705716.db2.gz UJRCBYAUBUCJCB-ZDUSSCGKSA-N 2 2 323.459 -1.107 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)CCC[NH+](C)C ZINC000632081098 373707076 /nfs/dbraw/zinc/70/70/76/373707076.db2.gz UJRCBYAUBUCJCB-CYBMUJFWSA-N 2 2 323.459 -1.107 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633088140 373726535 /nfs/dbraw/zinc/72/65/35/373726535.db2.gz QMXBSTSPSSZBND-BETUJISGSA-N 2 2 310.398 -1.260 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633075662 373726767 /nfs/dbraw/zinc/72/67/67/373726767.db2.gz JUGJGYFYEFBIKF-BETUJISGSA-N 2 2 310.398 -1.260 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633078772 373726803 /nfs/dbraw/zinc/72/68/03/373726803.db2.gz ORSVHDUCURNPPN-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633100593 373729096 /nfs/dbraw/zinc/72/90/96/373729096.db2.gz HIYIAAOBSOMRDJ-AGIUHOORSA-N 2 2 310.398 -1.262 20 0 DAADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000633111779 373730997 /nfs/dbraw/zinc/73/09/97/373730997.db2.gz SWUJTECSCFTNJY-MJBXVCDLSA-N 2 2 322.409 -1.118 20 0 DAADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000563809662 335021314 /nfs/dbraw/zinc/02/13/14/335021314.db2.gz MRMBPSSJKUYCFU-LLVKDONJSA-N 2 2 311.386 -2.268 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000284020335 131041848 /nfs/dbraw/zinc/04/18/48/131041848.db2.gz QCYCRGHNLPRNGP-UHFFFAOYSA-N 2 2 309.370 -1.210 20 0 DAADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000353506913 131319023 /nfs/dbraw/zinc/31/90/23/131319023.db2.gz FCETUWKIGWDXHM-NWDGAFQWSA-N 2 2 314.386 -1.991 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000653112571 409329321 /nfs/dbraw/zinc/32/93/21/409329321.db2.gz BOHDVVVBDMKDSE-CYBMUJFWSA-N 2 2 312.414 -1.059 20 0 DAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652725323 409400960 /nfs/dbraw/zinc/40/09/60/409400960.db2.gz DIXVLSDDVXESBZ-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000644885463 409389101 /nfs/dbraw/zinc/38/91/01/409389101.db2.gz OBOGXEYWXHWHOU-KGLIPLIRSA-N 2 2 312.414 -1.814 20 0 DAADLP O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000644885463 409389104 /nfs/dbraw/zinc/38/91/04/409389104.db2.gz OBOGXEYWXHWHOU-KGLIPLIRSA-N 2 2 312.414 -1.814 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000653275785 409344927 /nfs/dbraw/zinc/34/49/27/409344927.db2.gz NTSRWCFAONMXNK-CYBMUJFWSA-N 2 2 301.387 -1.218 20 0 DAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650865817 409346598 /nfs/dbraw/zinc/34/65/98/409346598.db2.gz RMWOODAYZIRMAW-TZMCWYRMSA-N 2 2 311.430 -1.307 20 0 DAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650865817 409346602 /nfs/dbraw/zinc/34/66/02/409346602.db2.gz RMWOODAYZIRMAW-TZMCWYRMSA-N 2 2 311.430 -1.307 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650865817 409346604 /nfs/dbraw/zinc/34/66/04/409346604.db2.gz RMWOODAYZIRMAW-TZMCWYRMSA-N 2 2 311.430 -1.307 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650865817 409346608 /nfs/dbraw/zinc/34/66/08/409346608.db2.gz RMWOODAYZIRMAW-TZMCWYRMSA-N 2 2 311.430 -1.307 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829751 409399792 /nfs/dbraw/zinc/39/97/92/409399792.db2.gz UTJMSTUHNMMWLT-BDAKNGLRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829751 409399796 /nfs/dbraw/zinc/39/97/96/409399796.db2.gz UTJMSTUHNMMWLT-BDAKNGLRSA-N 2 2 309.370 -1.482 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638058651 409403356 /nfs/dbraw/zinc/40/33/56/409403356.db2.gz HWTPEBSSEZSMPG-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](C(=O)NCC[NH+]1CCSCC1)N1CC[NH2+]CC1=O ZINC000638069877 409404068 /nfs/dbraw/zinc/40/40/68/409404068.db2.gz UVPZZSBKEIIJHO-LLVKDONJSA-N 2 2 300.428 -1.028 20 0 DAADLP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1=O ZINC000638125651 409404110 /nfs/dbraw/zinc/40/41/10/409404110.db2.gz FXTMNHGTQSIPCP-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638058652 409404731 /nfs/dbraw/zinc/40/47/31/409404731.db2.gz HWTPEBSSEZSMPG-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH2+]CC1=O ZINC000638131503 409407565 /nfs/dbraw/zinc/40/75/65/409407565.db2.gz FHEXELQARIYUFI-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+](C)CC(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000330448304 409416673 /nfs/dbraw/zinc/41/66/73/409416673.db2.gz WGQBATHWYCTIKN-CQSZACIVSA-N 2 2 314.430 -1.615 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000330448304 409416681 /nfs/dbraw/zinc/41/66/81/409416681.db2.gz WGQBATHWYCTIKN-CQSZACIVSA-N 2 2 314.430 -1.615 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330531409 409420043 /nfs/dbraw/zinc/42/00/43/409420043.db2.gz NFRXKZMMKXMVGD-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330531409 409420048 /nfs/dbraw/zinc/42/00/48/409420048.db2.gz NFRXKZMMKXMVGD-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000330730649 409421833 /nfs/dbraw/zinc/42/18/33/409421833.db2.gz KEGMLPMAFIHJPL-ZDUSSCGKSA-N 2 2 312.414 -1.325 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[N@H+](C)C1 ZINC000330589135 409421995 /nfs/dbraw/zinc/42/19/95/409421995.db2.gz ZIYDKDONTWSBHB-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CO[C@H]1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)[N@@H+](C)C1 ZINC000330589135 409421999 /nfs/dbraw/zinc/42/19/99/409421999.db2.gz ZIYDKDONTWSBHB-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988374 409427619 /nfs/dbraw/zinc/42/76/19/409427619.db2.gz BAYOBVDPELJFAX-GFCCVEGCSA-N 2 2 308.382 -1.111 20 0 DAADLP C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000346834667 409443948 /nfs/dbraw/zinc/44/39/48/409443948.db2.gz SRXVIEJWVHMDIN-VWYCJHECSA-N 2 2 312.370 -1.750 20 0 DAADLP C[C@@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000346834667 409443950 /nfs/dbraw/zinc/44/39/50/409443950.db2.gz SRXVIEJWVHMDIN-VWYCJHECSA-N 2 2 312.370 -1.750 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000347973344 409449165 /nfs/dbraw/zinc/44/91/65/409449165.db2.gz UGWHIUHBOGJUDS-CYBMUJFWSA-N 2 2 311.430 -1.488 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000347973344 409449169 /nfs/dbraw/zinc/44/91/69/409449169.db2.gz UGWHIUHBOGJUDS-CYBMUJFWSA-N 2 2 311.430 -1.488 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332635030 409463029 /nfs/dbraw/zinc/46/30/29/409463029.db2.gz FHECMUDHQVZMJX-ZIAGYGMSSA-N 2 2 324.425 -1.155 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000332350061 409463101 /nfs/dbraw/zinc/46/31/01/409463101.db2.gz ASCNZBUAPFAHIK-AWEZNQCLSA-N 2 2 323.441 -1.343 20 0 DAADLP C[NH+](CC1(C[N@@H+](C)[C@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799734 409472810 /nfs/dbraw/zinc/47/28/10/409472810.db2.gz GFAROQROOKXRMR-CRWXNKLISA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799734 409472813 /nfs/dbraw/zinc/47/28/13/409472813.db2.gz GFAROQROOKXRMR-CRWXNKLISA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@H]1COC[C@@H]1O ZINC000352799734 409472819 /nfs/dbraw/zinc/47/28/19/409472819.db2.gz GFAROQROOKXRMR-CRWXNKLISA-N 2 2 316.398 -1.614 20 0 DAADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000358557336 409496501 /nfs/dbraw/zinc/49/65/01/409496501.db2.gz IEDCOSUREAICRL-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000358557336 409496503 /nfs/dbraw/zinc/49/65/03/409496503.db2.gz IEDCOSUREAICRL-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP CC(C)(CNC(=O)C[NH+](CCO)CCO)[NH+]1CCOCC1 ZINC000356885193 409490677 /nfs/dbraw/zinc/49/06/77/409490677.db2.gz WZFAFNGVTZUJBB-UHFFFAOYSA-N 2 2 303.403 -1.500 20 0 DAADLP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000431013444 409567289 /nfs/dbraw/zinc/56/72/89/409567289.db2.gz FMPQQAWKCLWSIJ-STQMWFEESA-N 2 2 310.398 -1.403 20 0 DAADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000373216270 409513904 /nfs/dbraw/zinc/51/39/04/409513904.db2.gz MUXLIAJYVASTRE-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000373216270 409513908 /nfs/dbraw/zinc/51/39/08/409513908.db2.gz MUXLIAJYVASTRE-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372357009 409515024 /nfs/dbraw/zinc/51/50/24/409515024.db2.gz NSZVJYONNJWQRN-KBPBESRZSA-N 2 2 312.414 -1.814 20 0 DAADLP C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C[NH3+])C1 ZINC000653055005 409532411 /nfs/dbraw/zinc/53/24/11/409532411.db2.gz HOWYNMCIJPTNPK-NSHDSACASA-N 2 2 308.386 -1.518 20 0 DAADLP C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C[NH3+])C1 ZINC000653055005 409532412 /nfs/dbraw/zinc/53/24/12/409532412.db2.gz HOWYNMCIJPTNPK-NSHDSACASA-N 2 2 308.386 -1.518 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420152685 409538845 /nfs/dbraw/zinc/53/88/45/409538845.db2.gz PJKFHUZKFUOIRX-UHFFFAOYSA-N 2 2 322.356 -1.123 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409288 409539424 /nfs/dbraw/zinc/53/94/24/409539424.db2.gz QKMTUBFUTSPNAA-NXEZZACHSA-N 2 2 323.397 -1.234 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409288 409539429 /nfs/dbraw/zinc/53/94/29/409539429.db2.gz QKMTUBFUTSPNAA-NXEZZACHSA-N 2 2 323.397 -1.234 20 0 DAADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000419977709 409540308 /nfs/dbraw/zinc/54/03/08/409540308.db2.gz NALFLLPXDPILNQ-LBPRGKRZSA-N 2 2 300.403 -1.251 20 0 DAADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000423029511 409543190 /nfs/dbraw/zinc/54/31/90/409543190.db2.gz ANRNBKXILYUKOO-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC[NH2+]1 ZINC000423237241 409545871 /nfs/dbraw/zinc/54/58/71/409545871.db2.gz PSVGAMSHUWRYIU-GFCCVEGCSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423484745 409547216 /nfs/dbraw/zinc/54/72/16/409547216.db2.gz AELHJWNIUBPWBI-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CC(=O)NC3=O)CC2)CC1 ZINC000514870964 409551000 /nfs/dbraw/zinc/55/10/00/409551000.db2.gz OPJSBIPAXQXGIJ-GFCCVEGCSA-N 2 2 308.382 -1.113 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569737 409637575 /nfs/dbraw/zinc/63/75/75/409637575.db2.gz WXTCEOTYSWXGQG-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569737 409637585 /nfs/dbraw/zinc/63/75/85/409637585.db2.gz WXTCEOTYSWXGQG-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP O=C(CNC(=O)COC1C[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000431059433 409571069 /nfs/dbraw/zinc/57/10/69/409571069.db2.gz BSRPYKQLZXRGCI-UHFFFAOYSA-N 2 2 300.359 -2.461 20 0 DAADLP CC(C)[C@@H](C[NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000433126646 409577533 /nfs/dbraw/zinc/57/75/33/409577533.db2.gz DISIBEICBAEIOO-GFCCVEGCSA-N 2 2 300.403 -1.218 20 0 DAADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659713760 409692279 /nfs/dbraw/zinc/69/22/79/409692279.db2.gz QAMKAHHSPVMFPQ-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659713758 409693547 /nfs/dbraw/zinc/69/35/47/409693547.db2.gz QAMKAHHSPVMFPQ-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659713642 409693809 /nfs/dbraw/zinc/69/38/09/409693809.db2.gz GUGILYZUOODURC-QWHCGFSZSA-N 2 2 310.398 -1.227 20 0 DAADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659722923 409693946 /nfs/dbraw/zinc/69/39/46/409693946.db2.gz NUADAYNCDFPVIR-CQSZACIVSA-N 2 2 322.409 -1.045 20 0 DAADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659713759 409694642 /nfs/dbraw/zinc/69/46/42/409694642.db2.gz QAMKAHHSPVMFPQ-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000659731192 409697643 /nfs/dbraw/zinc/69/76/43/409697643.db2.gz JSLGAZFLRWLGSN-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP CC(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000662526722 409712757 /nfs/dbraw/zinc/71/27/57/409712757.db2.gz JYCVUBFAPOWJJZ-LBPRGKRZSA-N 2 2 316.402 -1.697 20 0 DAADLP CN(CCC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649273119 409652594 /nfs/dbraw/zinc/65/25/94/409652594.db2.gz KWGPPFMLHPTJGK-ZDUSSCGKSA-N 2 2 312.414 -1.026 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649279441 409655595 /nfs/dbraw/zinc/65/55/95/409655595.db2.gz PVCCXKGKEDBSHV-CYBMUJFWSA-N 2 2 310.398 -1.259 20 0 DAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000662427825 409710913 /nfs/dbraw/zinc/71/09/13/409710913.db2.gz CFCBLTCRQUATAR-GHMZBOCLSA-N 2 2 319.431 -1.997 20 0 DAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000662427825 409710919 /nfs/dbraw/zinc/71/09/19/409710919.db2.gz CFCBLTCRQUATAR-GHMZBOCLSA-N 2 2 319.431 -1.997 20 0 DAADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466614 409659374 /nfs/dbraw/zinc/65/93/74/409659374.db2.gz UMKSTDRRSJNNTG-DTWKUNHWSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466614 409659379 /nfs/dbraw/zinc/65/93/79/409659379.db2.gz UMKSTDRRSJNNTG-DTWKUNHWSA-N 2 2 309.370 -1.482 20 0 DAADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1C[NH3+] ZINC000405334578 409668117 /nfs/dbraw/zinc/66/81/17/409668117.db2.gz IODWEISGURQYFT-ZIAGYGMSSA-N 2 2 312.414 -1.027 20 0 DAADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1C[NH3+] ZINC000405334578 409668125 /nfs/dbraw/zinc/66/81/25/409668125.db2.gz IODWEISGURQYFT-ZIAGYGMSSA-N 2 2 312.414 -1.027 20 0 DAADLP CN(C)C(=O)CNC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658427959 409682551 /nfs/dbraw/zinc/68/25/51/409682551.db2.gz GJOQRGPZEJDFLU-UHFFFAOYSA-N 2 2 315.418 -1.810 20 0 DAADLP CN(C)C(=O)CNC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658427959 409682562 /nfs/dbraw/zinc/68/25/62/409682562.db2.gz GJOQRGPZEJDFLU-UHFFFAOYSA-N 2 2 315.418 -1.810 20 0 DAADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658452598 409682904 /nfs/dbraw/zinc/68/29/04/409682904.db2.gz VBSFYQRAVBBVGQ-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658532071 409682942 /nfs/dbraw/zinc/68/29/42/409682942.db2.gz ZJTMKGKVTFCUNB-UHFFFAOYSA-N 2 2 312.414 -1.203 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682656 409690352 /nfs/dbraw/zinc/69/03/52/409690352.db2.gz MVZQYYQAEFHURS-STQMWFEESA-N 3 2 323.441 -1.251 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659682656 409690356 /nfs/dbraw/zinc/69/03/56/409690356.db2.gz MVZQYYQAEFHURS-STQMWFEESA-N 3 2 323.441 -1.251 20 0 DAADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659709081 409690429 /nfs/dbraw/zinc/69/04/29/409690429.db2.gz DPOHNSIRIBMSOT-CHWSQXEVSA-N 2 2 310.398 -1.212 20 0 DAADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662951068 409721567 /nfs/dbraw/zinc/72/15/67/409721567.db2.gz HOAVHXVMOZABLK-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662947085 409721691 /nfs/dbraw/zinc/72/16/91/409721691.db2.gz KFDWQIAYESOZEI-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+](C)CCC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000662972538 409722863 /nfs/dbraw/zinc/72/28/63/409722863.db2.gz KNAXSDYORYHMLK-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662950310 409722984 /nfs/dbraw/zinc/72/29/84/409722984.db2.gz GPDOJIQWBSZLAH-STQMWFEESA-N 2 2 310.398 -1.273 20 0 DAADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662952867 409723309 /nfs/dbraw/zinc/72/33/09/409723309.db2.gz IMFVHMHEDSDEQI-HZSPNIEDSA-N 2 2 322.409 -1.403 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCNS(C)(=O)=O ZINC000663570679 409725698 /nfs/dbraw/zinc/72/56/98/409725698.db2.gz NGRVZVRUAPJGRP-UHFFFAOYSA-N 2 2 323.463 -1.282 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCNS(C)(=O)=O ZINC000663570679 409725702 /nfs/dbraw/zinc/72/57/02/409725702.db2.gz NGRVZVRUAPJGRP-UHFFFAOYSA-N 2 2 323.463 -1.282 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329883937 409741986 /nfs/dbraw/zinc/74/19/86/409741986.db2.gz RSPMTWADSWQZBY-CYBMUJFWSA-N 2 2 323.397 -0.516 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329883937 409741990 /nfs/dbraw/zinc/74/19/90/409741990.db2.gz RSPMTWADSWQZBY-CYBMUJFWSA-N 2 2 323.397 -0.516 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329883938 409744728 /nfs/dbraw/zinc/74/47/28/409744728.db2.gz RSPMTWADSWQZBY-ZDUSSCGKSA-N 2 2 323.397 -0.516 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329883938 409744733 /nfs/dbraw/zinc/74/47/33/409744733.db2.gz RSPMTWADSWQZBY-ZDUSSCGKSA-N 2 2 323.397 -0.516 20 0 DAADLP O=C(CCOC1C[NH2+]C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000349002565 409758390 /nfs/dbraw/zinc/75/83/90/409758390.db2.gz PJIZTZVQEDNYBA-UHFFFAOYSA-N 2 2 323.397 -0.468 20 0 DAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1COCC[NH2+]1 ZINC000430716353 409777588 /nfs/dbraw/zinc/77/75/88/409777588.db2.gz VNFIQNQOBMHGFF-GFCCVEGCSA-N 2 2 309.370 -0.858 20 0 DAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000563209248 409778856 /nfs/dbraw/zinc/77/88/56/409778856.db2.gz BWCGYHDAMXILRJ-QWHCGFSZSA-N 2 2 323.397 -0.469 20 0 DAADLP O=C1C[N@H+](CCCNc2cc[nH+]c(N3CCOCC3)n2)CCN1 ZINC000362632872 409779235 /nfs/dbraw/zinc/77/92/35/409779235.db2.gz GGLKVNGNUUHTFG-UHFFFAOYSA-N 2 2 320.397 -0.453 20 0 DAADLP O=C1C[N@@H+](CCCNc2cc[nH+]c(N3CCOCC3)n2)CCN1 ZINC000362632872 409779244 /nfs/dbraw/zinc/77/92/44/409779244.db2.gz GGLKVNGNUUHTFG-UHFFFAOYSA-N 2 2 320.397 -0.453 20 0 DAADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCN1S(C)(=O)=O ZINC000662691613 409714875 /nfs/dbraw/zinc/71/48/75/409714875.db2.gz JRWLXFHIMOTUJV-GHMZBOCLSA-N 2 2 306.432 -1.242 20 0 DAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662753382 409717635 /nfs/dbraw/zinc/71/76/35/409717635.db2.gz ZELJSCQZFPGTCX-GFCCVEGCSA-N 2 2 310.398 -1.524 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829135 782017480 /nfs/dbraw/zinc/01/74/80/782017480.db2.gz WUVYOCYZMYJLOO-FRRDWIJNSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829135 782017485 /nfs/dbraw/zinc/01/74/85/782017485.db2.gz WUVYOCYZMYJLOO-FRRDWIJNSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193829135 782017490 /nfs/dbraw/zinc/01/74/90/782017490.db2.gz WUVYOCYZMYJLOO-FRRDWIJNSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193829135 782017497 /nfs/dbraw/zinc/01/74/97/782017497.db2.gz WUVYOCYZMYJLOO-FRRDWIJNSA-N 2 2 312.414 -1.104 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820955 782018875 /nfs/dbraw/zinc/01/88/75/782018875.db2.gz AQOLGTRAGJQVCE-JHJVBQTASA-N 2 2 310.398 -1.480 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820955 782018884 /nfs/dbraw/zinc/01/88/84/782018884.db2.gz AQOLGTRAGJQVCE-JHJVBQTASA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820955 782018891 /nfs/dbraw/zinc/01/88/91/782018891.db2.gz AQOLGTRAGJQVCE-JHJVBQTASA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820955 782018898 /nfs/dbraw/zinc/01/88/98/782018898.db2.gz AQOLGTRAGJQVCE-JHJVBQTASA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000180499566 262486243 /nfs/dbraw/zinc/48/62/43/262486243.db2.gz DXQMJYYOSHPWNE-NSHDSACASA-N 2 2 304.416 -1.616 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000180499566 262486245 /nfs/dbraw/zinc/48/62/45/262486245.db2.gz DXQMJYYOSHPWNE-NSHDSACASA-N 2 2 304.416 -1.616 20 0 DAADLP C[NH+](C)C1CCN(CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237082732 263217564 /nfs/dbraw/zinc/21/75/64/263217564.db2.gz ALADBNBQHSYBGX-UHFFFAOYSA-N 2 2 311.430 -1.440 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408032986 263218156 /nfs/dbraw/zinc/21/81/56/263218156.db2.gz GEBUHROYLARUDI-CYBMUJFWSA-N 2 2 323.441 -1.216 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408032986 263218157 /nfs/dbraw/zinc/21/81/57/263218157.db2.gz GEBUHROYLARUDI-CYBMUJFWSA-N 2 2 323.441 -1.216 20 0 DAADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCOCC1 ZINC000362827741 263229755 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C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C[NH+]1CCOCC1 ZINC000419305476 263246225 /nfs/dbraw/zinc/24/62/25/263246225.db2.gz WWOGXJHLCYECLO-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000420161609 263246232 /nfs/dbraw/zinc/24/62/32/263246232.db2.gz WHCYOZNCKBJZOS-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000420120276 263247612 /nfs/dbraw/zinc/24/76/12/263247612.db2.gz OIAFWDDYEKVZNF-UPJWGTAASA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000420120276 263247613 /nfs/dbraw/zinc/24/76/13/263247613.db2.gz OIAFWDDYEKVZNF-UPJWGTAASA-N 2 2 312.414 -1.063 20 0 DAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419109608 263251656 /nfs/dbraw/zinc/25/16/56/263251656.db2.gz BCKJUNBTOWMNHF-CYBMUJFWSA-N 2 2 312.414 -1.109 20 0 DAADLP O=C(CNC(=O)[C@H]1CSC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000360199728 263254761 /nfs/dbraw/zinc/25/47/61/263254761.db2.gz SCAQGNUEHGBDRB-SNVBAGLBSA-N 2 2 302.400 -1.787 20 0 DAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357927460 263254832 /nfs/dbraw/zinc/25/48/32/263254832.db2.gz LBWFHWACLBXUEH-RAIGVLPGSA-N 2 2 310.398 -1.480 20 0 DAADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000358163886 263255515 /nfs/dbraw/zinc/25/55/15/263255515.db2.gz HOZQHXHEFDAEBF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000358163886 263255517 /nfs/dbraw/zinc/25/55/17/263255517.db2.gz HOZQHXHEFDAEBF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000358163886 263255520 /nfs/dbraw/zinc/25/55/20/263255520.db2.gz HOZQHXHEFDAEBF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000358163886 263255522 /nfs/dbraw/zinc/25/55/22/263255522.db2.gz HOZQHXHEFDAEBF-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262220618 263256110 /nfs/dbraw/zinc/25/61/10/263256110.db2.gz ZVRMUOHQLQBGEP-NSHDSACASA-N 2 2 319.431 -2.030 20 0 DAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000420159711 263260959 /nfs/dbraw/zinc/26/09/59/263260959.db2.gz ZHZGTRBRQIXTRQ-UHFFFAOYSA-N 2 2 310.370 -1.138 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430604097 263261946 /nfs/dbraw/zinc/26/19/46/263261946.db2.gz LYBJYSAHERAXCX-UHFFFAOYSA-N 2 2 306.432 -1.369 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430604097 263261947 /nfs/dbraw/zinc/26/19/47/263261947.db2.gz LYBJYSAHERAXCX-UHFFFAOYSA-N 2 2 306.432 -1.369 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000408092415 263262015 /nfs/dbraw/zinc/26/20/15/263262015.db2.gz YEOOTSKGOYBQND-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000408092415 263262017 /nfs/dbraw/zinc/26/20/17/263262017.db2.gz YEOOTSKGOYBQND-GFCCVEGCSA-N 2 2 318.443 -1.226 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409297 263262196 /nfs/dbraw/zinc/26/21/96/263262196.db2.gz QKMTUBFUTSPNAA-ZJUUUORDSA-N 2 2 323.397 -1.234 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409297 263262199 /nfs/dbraw/zinc/26/21/99/263262199.db2.gz QKMTUBFUTSPNAA-ZJUUUORDSA-N 2 2 323.397 -1.234 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420011845 263269213 /nfs/dbraw/zinc/26/92/13/263269213.db2.gz IOCFKDBFYJWXMU-LBPRGKRZSA-N 2 2 300.403 -1.124 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000351530527 263271139 /nfs/dbraw/zinc/27/11/39/263271139.db2.gz AYPLQAXNIGBDMY-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000125420361 263274313 /nfs/dbraw/zinc/27/43/13/263274313.db2.gz AVSURQJHYLDZQM-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000332492474 263274333 /nfs/dbraw/zinc/27/43/33/263274333.db2.gz VKNQTCLHESEGJV-AWEZNQCLSA-N 2 2 324.425 -1.059 20 0 DAADLP C[NH2+][C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000262309079 263274393 /nfs/dbraw/zinc/27/43/93/263274393.db2.gz CPMFJBJJIHOWTO-AWEZNQCLSA-N 2 2 322.413 -1.039 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459885690 263275166 /nfs/dbraw/zinc/27/51/66/263275166.db2.gz LWSUCWYNZLRYNC-UHFFFAOYSA-N 2 2 300.403 -1.203 20 0 DAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444169761 263276946 /nfs/dbraw/zinc/27/69/46/263276946.db2.gz SCWMVRUKZKGHTJ-CHWSQXEVSA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531204203 263280049 /nfs/dbraw/zinc/28/00/49/263280049.db2.gz FYNNCLDMIXAJDH-MNOVXSKESA-N 2 2 309.370 -1.615 20 0 DAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C1=O ZINC000531204203 263280051 /nfs/dbraw/zinc/28/00/51/263280051.db2.gz FYNNCLDMIXAJDH-MNOVXSKESA-N 2 2 309.370 -1.615 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000124328489 263280986 /nfs/dbraw/zinc/28/09/86/263280986.db2.gz AVSURQJHYLDZQM-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000347973345 263281130 /nfs/dbraw/zinc/28/11/30/263281130.db2.gz UGWHIUHBOGJUDS-ZDUSSCGKSA-N 2 2 311.430 -1.488 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000347973345 263281132 /nfs/dbraw/zinc/28/11/32/263281132.db2.gz UGWHIUHBOGJUDS-ZDUSSCGKSA-N 2 2 311.430 -1.488 20 0 DAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784210 263283209 /nfs/dbraw/zinc/28/32/09/263283209.db2.gz AOUDGWOASMGLIZ-STQMWFEESA-N 2 2 312.414 -1.251 20 0 DAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784210 263283210 /nfs/dbraw/zinc/28/32/10/263283210.db2.gz AOUDGWOASMGLIZ-STQMWFEESA-N 2 2 312.414 -1.251 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000419865386 263285088 /nfs/dbraw/zinc/28/50/88/263285088.db2.gz FNHIFECYXMUBJV-LLVKDONJSA-N 2 2 314.386 -1.582 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000419865386 263285090 /nfs/dbraw/zinc/28/50/90/263285090.db2.gz FNHIFECYXMUBJV-LLVKDONJSA-N 2 2 314.386 -1.582 20 0 DAADLP Cn1cc(N2CC[C@@H]([N@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)cn1 ZINC000430630139 263291219 /nfs/dbraw/zinc/29/12/19/263291219.db2.gz XPHLSXUZIPTYFU-CYBMUJFWSA-N 2 2 320.397 -1.111 20 0 DAADLP Cn1cc(N2CC[C@@H]([N@@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)cn1 ZINC000430630139 263291220 /nfs/dbraw/zinc/29/12/20/263291220.db2.gz XPHLSXUZIPTYFU-CYBMUJFWSA-N 2 2 320.397 -1.111 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423605944 263293509 /nfs/dbraw/zinc/29/35/09/263293509.db2.gz JTJWIBHZFTYQKX-GFCCVEGCSA-N 2 2 314.430 -1.045 20 0 DAADLP CNc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000343807439 263297068 /nfs/dbraw/zinc/29/70/68/263297068.db2.gz OFKKWZXIRFGYSK-QWRGUYRKSA-N 3 2 310.450 -1.097 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419945703 263297190 /nfs/dbraw/zinc/29/71/90/263297190.db2.gz CZXWDSVVTUIGRG-LBPRGKRZSA-N 2 2 300.403 -1.122 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000331702443 263300685 /nfs/dbraw/zinc/30/06/85/263300685.db2.gz FXAVBJBWPFFTLK-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000331702443 263300686 /nfs/dbraw/zinc/30/06/86/263300686.db2.gz FXAVBJBWPFFTLK-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000331702443 263300687 /nfs/dbraw/zinc/30/06/87/263300687.db2.gz FXAVBJBWPFFTLK-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000331702443 263300688 /nfs/dbraw/zinc/30/06/88/263300688.db2.gz FXAVBJBWPFFTLK-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000329937813 263300717 /nfs/dbraw/zinc/30/07/17/263300717.db2.gz SEJVMGNXVONTKQ-HZSPNIEDSA-N 2 2 324.425 -1.062 20 0 DAADLP O=C(CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000444182665 263305579 /nfs/dbraw/zinc/30/55/79/263305579.db2.gz LKTOIHHQTOKRLT-IUODEOHRSA-N 2 2 310.398 -1.449 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000352462853 263309326 /nfs/dbraw/zinc/30/93/26/263309326.db2.gz TVPAEABMPZXNGX-ZDUSSCGKSA-N 2 2 312.414 -1.107 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000352462853 263309328 /nfs/dbraw/zinc/30/93/28/263309328.db2.gz TVPAEABMPZXNGX-ZDUSSCGKSA-N 2 2 312.414 -1.107 20 0 DAADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000419114100 263312625 /nfs/dbraw/zinc/31/26/25/263312625.db2.gz HXDXLFYXBYVLDP-GFCCVEGCSA-N 2 2 300.403 -1.076 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000073638951 263313813 /nfs/dbraw/zinc/31/38/13/263313813.db2.gz QPEZKRKTTKCONQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000073638951 263313816 /nfs/dbraw/zinc/31/38/16/263313816.db2.gz QPEZKRKTTKCONQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000180499584 263319357 /nfs/dbraw/zinc/31/93/57/263319357.db2.gz DXQMJYYOSHPWNE-LLVKDONJSA-N 2 2 304.416 -1.616 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000180499584 263319358 /nfs/dbraw/zinc/31/93/58/263319358.db2.gz DXQMJYYOSHPWNE-LLVKDONJSA-N 2 2 304.416 -1.616 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000114159282 263320648 /nfs/dbraw/zinc/32/06/48/263320648.db2.gz MWUMVPPHTDSTRZ-ZDUSSCGKSA-N 2 2 312.414 -1.155 20 0 DAADLP COC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262217845 263322201 /nfs/dbraw/zinc/32/22/01/263322201.db2.gz FLEUKQZPSZCLSV-GFCCVEGCSA-N 2 2 308.386 -1.312 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423042608 263326919 /nfs/dbraw/zinc/32/69/19/263326919.db2.gz ZUGJNGLAMKQLFZ-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195148719 782056584 /nfs/dbraw/zinc/05/65/84/782056584.db2.gz AJHJGEDCRJLEEN-CHWSQXEVSA-N 2 2 312.370 -1.557 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195148719 782056592 /nfs/dbraw/zinc/05/65/92/782056592.db2.gz AJHJGEDCRJLEEN-CHWSQXEVSA-N 2 2 312.370 -1.557 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001195676799 782074376 /nfs/dbraw/zinc/07/43/76/782074376.db2.gz KRXSPUFQXZZOGU-FRRDWIJNSA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001195676799 782074381 /nfs/dbraw/zinc/07/43/81/782074381.db2.gz KRXSPUFQXZZOGU-FRRDWIJNSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001195850983 782083030 /nfs/dbraw/zinc/08/30/30/782083030.db2.gz QHUZXNCWOWRRHY-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001195850983 782083047 /nfs/dbraw/zinc/08/30/47/782083047.db2.gz QHUZXNCWOWRRHY-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001195701656 782076503 /nfs/dbraw/zinc/07/65/03/782076503.db2.gz OWXLNIUIWVRZFW-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001195701656 782076512 /nfs/dbraw/zinc/07/65/12/782076512.db2.gz OWXLNIUIWVRZFW-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001195701435 782077157 /nfs/dbraw/zinc/07/71/57/782077157.db2.gz NAVPJQWVZNQNKI-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001195701435 782077160 /nfs/dbraw/zinc/07/71/60/782077160.db2.gz NAVPJQWVZNQNKI-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001195860391 782086180 /nfs/dbraw/zinc/08/61/80/782086180.db2.gz WZBZHHULRYZRNN-GMTAPVOTSA-N 2 2 312.370 -2.095 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001195860391 782086194 /nfs/dbraw/zinc/08/61/94/782086194.db2.gz WZBZHHULRYZRNN-GMTAPVOTSA-N 2 2 312.370 -2.095 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000566244308 332276231 /nfs/dbraw/zinc/27/62/31/332276231.db2.gz IZQAVLQEXLLUIG-OPRDCNLKSA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000566244308 332276233 /nfs/dbraw/zinc/27/62/33/332276233.db2.gz IZQAVLQEXLLUIG-OPRDCNLKSA-N 2 2 323.397 -1.094 20 0 DAADLP C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@H](C[NH3+])C1 ZINC000564987755 332379842 /nfs/dbraw/zinc/37/98/42/332379842.db2.gz KDIWNGJSGJATDA-LLVKDONJSA-N 2 2 304.416 -1.487 20 0 DAADLP C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@H](C[NH3+])C1 ZINC000564987755 332379843 /nfs/dbraw/zinc/37/98/43/332379843.db2.gz KDIWNGJSGJATDA-LLVKDONJSA-N 2 2 304.416 -1.487 20 0 DAADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000561267515 332431159 /nfs/dbraw/zinc/43/11/59/332431159.db2.gz UIOFWWZFWQYMPW-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000569834039 332684931 /nfs/dbraw/zinc/68/49/31/332684931.db2.gz USVFPUINAODBDC-BFHYXJOUSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](C[NH3+])C1 ZINC000563882734 335114207 /nfs/dbraw/zinc/11/42/07/335114207.db2.gz HRHQNBSGMXHKNT-LLVKDONJSA-N 2 2 304.354 -1.403 20 0 DAADLP C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](C[NH3+])C1 ZINC000563882734 335114208 /nfs/dbraw/zinc/11/42/08/335114208.db2.gz HRHQNBSGMXHKNT-LLVKDONJSA-N 2 2 304.354 -1.403 20 0 DAADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062815 333195996 /nfs/dbraw/zinc/19/59/96/333195996.db2.gz BFUIUOASYHHGOJ-IUCAKERBSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000582062815 333195997 /nfs/dbraw/zinc/19/59/97/333195997.db2.gz BFUIUOASYHHGOJ-IUCAKERBSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000563150505 333397878 /nfs/dbraw/zinc/39/78/78/333397878.db2.gz WGPPVOCRUJGOIW-VFZGTOFNSA-N 2 2 323.397 -1.092 20 0 DAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000563150505 333397879 /nfs/dbraw/zinc/39/78/79/333397879.db2.gz WGPPVOCRUJGOIW-VFZGTOFNSA-N 2 2 323.397 -1.092 20 0 DAADLP [NH3+]CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583615796 335826558 /nfs/dbraw/zinc/82/65/58/335826558.db2.gz SRGBHUFKMRFLTK-UHFFFAOYSA-N 2 2 319.409 -1.000 20 0 DAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477562 337347889 /nfs/dbraw/zinc/34/78/89/337347889.db2.gz LOUQLXDQASFURU-NWDGAFQWSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477562 337347890 /nfs/dbraw/zinc/34/78/90/337347890.db2.gz LOUQLXDQASFURU-NWDGAFQWSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477562 337347891 /nfs/dbraw/zinc/34/78/91/337347891.db2.gz LOUQLXDQASFURU-NWDGAFQWSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477562 337347892 /nfs/dbraw/zinc/34/78/92/337347892.db2.gz LOUQLXDQASFURU-NWDGAFQWSA-N 2 2 308.448 -1.196 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583883208 337377584 /nfs/dbraw/zinc/37/75/84/337377584.db2.gz KBZCKJYYRZLPQF-WDEREUQCSA-N 2 2 311.386 -1.288 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583883208 337377585 /nfs/dbraw/zinc/37/75/85/337377585.db2.gz KBZCKJYYRZLPQF-WDEREUQCSA-N 2 2 311.386 -1.288 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583883206 337377607 /nfs/dbraw/zinc/37/76/07/337377607.db2.gz KBZCKJYYRZLPQF-MNOVXSKESA-N 2 2 311.386 -1.288 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583883206 337377608 /nfs/dbraw/zinc/37/76/08/337377608.db2.gz KBZCKJYYRZLPQF-MNOVXSKESA-N 2 2 311.386 -1.288 20 0 DAADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000572038316 337587690 /nfs/dbraw/zinc/58/76/90/337587690.db2.gz XSUQFWXSVDHFLJ-CQSZACIVSA-N 2 2 311.386 -1.188 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000580421309 337672669 /nfs/dbraw/zinc/67/26/69/337672669.db2.gz HXWCAOSDUYQICB-MELADBBJSA-N 2 2 324.425 -1.136 20 0 DAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000553194468 341419668 /nfs/dbraw/zinc/41/96/68/341419668.db2.gz APRJHPRREFTSQX-UHFFFAOYSA-N 3 2 324.429 -1.012 20 0 DAADLP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000568609974 341676415 /nfs/dbraw/zinc/67/64/15/341676415.db2.gz AXBZWGPQTPQWAZ-OLZOCXBDSA-N 2 2 310.398 -1.166 20 0 DAADLP O=C(NC1C[NH2+]C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000573701874 341736549 /nfs/dbraw/zinc/73/65/49/341736549.db2.gz LJFVZMNQFNLDNX-CYBMUJFWSA-N 2 2 310.398 -1.212 20 0 DAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000576649620 341857022 /nfs/dbraw/zinc/85/70/22/341857022.db2.gz DKIHIPJAUUELMR-LBPRGKRZSA-N 2 2 320.397 -1.458 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197049634 782122015 /nfs/dbraw/zinc/12/20/15/782122015.db2.gz OTSURZUPZSRHNO-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197049634 782122018 /nfs/dbraw/zinc/12/20/18/782122018.db2.gz OTSURZUPZSRHNO-FRRDWIJNSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493243 782133728 /nfs/dbraw/zinc/13/37/28/782133728.db2.gz HLQRJNUCWQKTFI-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493243 782133733 /nfs/dbraw/zinc/13/37/33/782133733.db2.gz HLQRJNUCWQKTFI-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493243 782133739 /nfs/dbraw/zinc/13/37/39/782133739.db2.gz HLQRJNUCWQKTFI-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493243 782133744 /nfs/dbraw/zinc/13/37/44/782133744.db2.gz HLQRJNUCWQKTFI-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001197528488 782135176 /nfs/dbraw/zinc/13/51/76/782135176.db2.gz LLTBMOXPIYSPCD-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001197528488 782135180 /nfs/dbraw/zinc/13/51/80/782135180.db2.gz LLTBMOXPIYSPCD-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001197528488 782135182 /nfs/dbraw/zinc/13/51/82/782135182.db2.gz LLTBMOXPIYSPCD-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001197528488 782135185 /nfs/dbraw/zinc/13/51/85/782135185.db2.gz LLTBMOXPIYSPCD-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197783462 782139891 /nfs/dbraw/zinc/13/98/91/782139891.db2.gz OGFOJAUDJAFZGC-VXGBXAGGSA-N 2 2 316.402 -2.186 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197783462 782139897 /nfs/dbraw/zinc/13/98/97/782139897.db2.gz OGFOJAUDJAFZGC-VXGBXAGGSA-N 2 2 316.402 -2.186 20 0 DAADLP C[NH+](C)CCOCC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001197818289 782142733 /nfs/dbraw/zinc/14/27/33/782142733.db2.gz ZFDMHWMAQQYLND-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](C)CCOCC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001197818289 782142741 /nfs/dbraw/zinc/14/27/41/782142741.db2.gz ZFDMHWMAQQYLND-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833274 782142799 /nfs/dbraw/zinc/14/27/99/782142799.db2.gz VXUKXWAROARPOO-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833274 782142803 /nfs/dbraw/zinc/14/28/03/782142803.db2.gz VXUKXWAROARPOO-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197948931 782144277 /nfs/dbraw/zinc/14/42/77/782144277.db2.gz OEMICVCJOFUJEB-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197948931 782144283 /nfs/dbraw/zinc/14/42/83/782144283.db2.gz OEMICVCJOFUJEB-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046809 782147440 /nfs/dbraw/zinc/14/74/40/782147440.db2.gz FMVXVNRKSSUAPV-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046809 782147441 /nfs/dbraw/zinc/14/74/41/782147441.db2.gz FMVXVNRKSSUAPV-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046809 782147445 /nfs/dbraw/zinc/14/74/45/782147445.db2.gz FMVXVNRKSSUAPV-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046809 782147448 /nfs/dbraw/zinc/14/74/48/782147448.db2.gz FMVXVNRKSSUAPV-JHJVBQTASA-N 2 2 314.430 -1.034 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198654218 782159148 /nfs/dbraw/zinc/15/91/48/782159148.db2.gz PKHAVYJMIKLRAF-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198654218 782159152 /nfs/dbraw/zinc/15/91/52/782159152.db2.gz PKHAVYJMIKLRAF-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198654218 782159157 /nfs/dbraw/zinc/15/91/57/782159157.db2.gz PKHAVYJMIKLRAF-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198654218 782159165 /nfs/dbraw/zinc/15/91/65/782159165.db2.gz PKHAVYJMIKLRAF-YNEHKIRRSA-N 2 2 312.414 -1.422 20 0 DAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699376 782159344 /nfs/dbraw/zinc/15/93/44/782159344.db2.gz OVTJHXOGWQCSJW-BFHYXJOUSA-N 2 2 315.414 -1.238 20 0 DAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699376 782159356 /nfs/dbraw/zinc/15/93/56/782159356.db2.gz OVTJHXOGWQCSJW-BFHYXJOUSA-N 2 2 315.414 -1.238 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671682 782159953 /nfs/dbraw/zinc/15/99/53/782159953.db2.gz IWFFPFHNKVYUOI-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671682 782159962 /nfs/dbraw/zinc/15/99/62/782159962.db2.gz IWFFPFHNKVYUOI-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654259 782160111 /nfs/dbraw/zinc/16/01/11/782160111.db2.gz QTPFLSCZCIQZEJ-MGPQQGTHSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654259 782160116 /nfs/dbraw/zinc/16/01/16/782160116.db2.gz QTPFLSCZCIQZEJ-MGPQQGTHSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654259 782160122 /nfs/dbraw/zinc/16/01/22/782160122.db2.gz QTPFLSCZCIQZEJ-MGPQQGTHSA-N 2 2 324.425 -1.374 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654259 782160103 /nfs/dbraw/zinc/16/01/03/782160103.db2.gz QTPFLSCZCIQZEJ-MGPQQGTHSA-N 2 2 324.425 -1.374 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671242 782160581 /nfs/dbraw/zinc/16/05/81/782160581.db2.gz DBQMGWXVHOWKCW-YNEHKIRRSA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671242 782160584 /nfs/dbraw/zinc/16/05/84/782160584.db2.gz DBQMGWXVHOWKCW-YNEHKIRRSA-N 2 2 312.370 -1.640 20 0 DAADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849188 523013960 /nfs/dbraw/zinc/01/39/60/523013960.db2.gz QKGLFIPFHNRYGL-DGCLKSJQSA-N 2 2 320.459 -1.053 20 0 DAADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849188 523013969 /nfs/dbraw/zinc/01/39/69/523013969.db2.gz QKGLFIPFHNRYGL-DGCLKSJQSA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849188 523013980 /nfs/dbraw/zinc/01/39/80/523013980.db2.gz QKGLFIPFHNRYGL-DGCLKSJQSA-N 2 2 320.459 -1.053 20 0 DAADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849188 523013989 /nfs/dbraw/zinc/01/39/89/523013989.db2.gz QKGLFIPFHNRYGL-DGCLKSJQSA-N 2 2 320.459 -1.053 20 0 DAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000339266703 523979389 /nfs/dbraw/zinc/97/93/89/523979389.db2.gz YPUALAPVUFDRBP-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000339266703 523979393 /nfs/dbraw/zinc/97/93/93/523979393.db2.gz YPUALAPVUFDRBP-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000364223002 524106960 /nfs/dbraw/zinc/10/69/60/524106960.db2.gz UZVSIDGLBPNFBL-BFHYXJOUSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H]1COCCO1)C2 ZINC001273773383 782163674 /nfs/dbraw/zinc/16/36/74/782163674.db2.gz FEASBTVTVFGAIO-ZDUSSCGKSA-N 2 2 313.398 -1.123 20 0 DAADLP O=C(NCC[NH+]1CCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000337273228 526302232 /nfs/dbraw/zinc/30/22/32/526302232.db2.gz CEKKGQZGKVYATA-CQSZACIVSA-N 2 2 324.425 -1.011 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199071357 782168865 /nfs/dbraw/zinc/16/88/65/782168865.db2.gz SMPQFYPSNCUIJU-MGPQQGTHSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199071357 782168873 /nfs/dbraw/zinc/16/88/73/782168873.db2.gz SMPQFYPSNCUIJU-MGPQQGTHSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000120940118 545643435 /nfs/dbraw/zinc/64/34/35/545643435.db2.gz XSLFYXSLLZJWRX-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000120940118 545643438 /nfs/dbraw/zinc/64/34/38/545643438.db2.gz XSLFYXSLLZJWRX-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668376885 545644989 /nfs/dbraw/zinc/64/49/89/545644989.db2.gz QLVYCAPTQYVFRQ-CYBMUJFWSA-N 2 2 321.381 -1.068 20 0 DAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000672596328 545654265 /nfs/dbraw/zinc/65/42/65/545654265.db2.gz VWCGMISDEULFCE-CQSZACIVSA-N 2 2 323.441 -1.345 20 0 DAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000672596328 545654277 /nfs/dbraw/zinc/65/42/77/545654277.db2.gz VWCGMISDEULFCE-CQSZACIVSA-N 2 2 323.441 -1.345 20 0 DAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000672596327 545654640 /nfs/dbraw/zinc/65/46/40/545654640.db2.gz VWCGMISDEULFCE-AWEZNQCLSA-N 2 2 323.441 -1.345 20 0 DAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000672596327 545654644 /nfs/dbraw/zinc/65/46/44/545654644.db2.gz VWCGMISDEULFCE-AWEZNQCLSA-N 2 2 323.441 -1.345 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000408005542 545665420 /nfs/dbraw/zinc/66/54/20/545665420.db2.gz RCFRQNXMTVNNMU-NEPJUHHUSA-N 2 2 318.443 -1.098 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000408005542 545665427 /nfs/dbraw/zinc/66/54/27/545665427.db2.gz RCFRQNXMTVNNMU-NEPJUHHUSA-N 2 2 318.443 -1.098 20 0 DAADLP CNS(=O)(=O)CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644628868 545675802 /nfs/dbraw/zinc/67/58/02/545675802.db2.gz WQOMTJFVXGCNKM-TUAOUCFPSA-N 2 2 309.432 -1.405 20 0 DAADLP CNS(=O)(=O)CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644628868 545675806 /nfs/dbraw/zinc/67/58/06/545675806.db2.gz WQOMTJFVXGCNKM-TUAOUCFPSA-N 2 2 309.432 -1.405 20 0 DAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000644564904 545676181 /nfs/dbraw/zinc/67/61/81/545676181.db2.gz UCLSNYQSLDWEES-IJLUTSLNSA-N 2 2 314.386 -1.402 20 0 DAADLP CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000644632518 545676940 /nfs/dbraw/zinc/67/69/40/545676940.db2.gz XWRWXXIBNAXJKR-LBPRGKRZSA-N 2 2 308.448 -1.137 20 0 DAADLP CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000644632518 545676945 /nfs/dbraw/zinc/67/69/45/545676945.db2.gz XWRWXXIBNAXJKR-LBPRGKRZSA-N 2 2 308.448 -1.137 20 0 DAADLP CCO[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1C[NH3+] ZINC000652672582 545685846 /nfs/dbraw/zinc/68/58/46/545685846.db2.gz OZLLDQSKUXTQKU-DGCLKSJQSA-N 2 2 323.397 -1.099 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000343082977 545695493 /nfs/dbraw/zinc/69/54/93/545695493.db2.gz GBDLZGCAQJRZNZ-JHJVBQTASA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000343082977 545695497 /nfs/dbraw/zinc/69/54/97/545695497.db2.gz GBDLZGCAQJRZNZ-JHJVBQTASA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000343082977 545695500 /nfs/dbraw/zinc/69/55/00/545695500.db2.gz GBDLZGCAQJRZNZ-JHJVBQTASA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000343082977 545695505 /nfs/dbraw/zinc/69/55/05/545695505.db2.gz GBDLZGCAQJRZNZ-JHJVBQTASA-N 2 2 312.414 -1.171 20 0 DAADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000332087542 545729486 /nfs/dbraw/zinc/72/94/86/545729486.db2.gz ISAIWFLJTHCZFU-LLVKDONJSA-N 2 2 307.354 -1.328 20 0 DAADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000332087542 545729489 /nfs/dbraw/zinc/72/94/89/545729489.db2.gz ISAIWFLJTHCZFU-LLVKDONJSA-N 2 2 307.354 -1.328 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332193152 545730999 /nfs/dbraw/zinc/73/09/99/545730999.db2.gz QTYPZDLQGRRXLQ-KGLIPLIRSA-N 2 2 324.425 -1.155 20 0 DAADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357926147 545737715 /nfs/dbraw/zinc/73/77/15/545737715.db2.gz PLCKDBWCENIONH-ZIAGYGMSSA-N 2 2 324.425 -1.230 20 0 DAADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000419429416 545768432 /nfs/dbraw/zinc/76/84/32/545768432.db2.gz UQXDOBXEKACZOX-LBPRGKRZSA-N 2 2 300.403 -1.061 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000459803033 545786317 /nfs/dbraw/zinc/78/63/17/545786317.db2.gz BMYVGOIREILRIH-CYBMUJFWSA-N 2 2 312.414 -1.325 20 0 DAADLP C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](C[NH3+])C1 ZINC000162668440 545799155 /nfs/dbraw/zinc/79/91/55/545799155.db2.gz JOWFQSYTEPHJHI-NSHDSACASA-N 2 2 316.365 -1.107 20 0 DAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649337591 545802592 /nfs/dbraw/zinc/80/25/92/545802592.db2.gz YIGGIVQLXOJYDT-RMRHIDDWSA-N 2 2 322.409 -1.499 20 0 DAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649337378 545802725 /nfs/dbraw/zinc/80/27/25/545802725.db2.gz HOPWLSIFJNCMEW-WWGRRREGSA-N 2 2 322.409 -1.212 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021805 545811628 /nfs/dbraw/zinc/81/16/28/545811628.db2.gz LADSZEMVVHZCOC-SDDRHHMPSA-N 2 2 300.403 -1.064 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656021805 545811632 /nfs/dbraw/zinc/81/16/32/545811632.db2.gz LADSZEMVVHZCOC-SDDRHHMPSA-N 2 2 300.403 -1.064 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658902686 545835771 /nfs/dbraw/zinc/83/57/71/545835771.db2.gz CUYTVDZOQZSXLO-CQSZACIVSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658902686 545835776 /nfs/dbraw/zinc/83/57/76/545835776.db2.gz CUYTVDZOQZSXLO-CQSZACIVSA-N 2 2 324.425 -1.182 20 0 DAADLP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658850361 545836778 /nfs/dbraw/zinc/83/67/78/545836778.db2.gz URUIYNXKMUPPCG-AWEZNQCLSA-N 2 2 324.425 -1.061 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000671552432 545838463 /nfs/dbraw/zinc/83/84/63/545838463.db2.gz LWUQGSPOFCQEDY-CQSZACIVSA-N 2 2 308.386 -1.511 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000671552432 545838471 /nfs/dbraw/zinc/83/84/71/545838471.db2.gz LWUQGSPOFCQEDY-CQSZACIVSA-N 2 2 308.386 -1.511 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000662907717 545839657 /nfs/dbraw/zinc/83/96/57/545839657.db2.gz VZSGRANPXDBJOE-OLZOCXBDSA-N 2 2 309.414 -1.639 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000662907717 545839664 /nfs/dbraw/zinc/83/96/64/545839664.db2.gz VZSGRANPXDBJOE-OLZOCXBDSA-N 2 2 309.414 -1.639 20 0 DAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000662908134 545840045 /nfs/dbraw/zinc/84/00/45/545840045.db2.gz ZEEOJLPRUBJLEP-ZIAGYGMSSA-N 2 2 323.441 -1.249 20 0 DAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000662908134 545840049 /nfs/dbraw/zinc/84/00/49/545840049.db2.gz ZEEOJLPRUBJLEP-ZIAGYGMSSA-N 2 2 323.441 -1.249 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000662907718 545840248 /nfs/dbraw/zinc/84/02/48/545840248.db2.gz VZSGRANPXDBJOE-QWHCGFSZSA-N 2 2 309.414 -1.639 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000662907718 545840250 /nfs/dbraw/zinc/84/02/50/545840250.db2.gz VZSGRANPXDBJOE-QWHCGFSZSA-N 2 2 309.414 -1.639 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000679377389 545880460 /nfs/dbraw/zinc/88/04/60/545880460.db2.gz GBPLQXLMKLXVDE-UHFFFAOYSA-N 2 2 311.430 -1.534 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199119858 782169224 /nfs/dbraw/zinc/16/92/24/782169224.db2.gz YTENVENAISPQOJ-CHWSQXEVSA-N 2 2 314.430 -1.034 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199119858 782169233 /nfs/dbraw/zinc/16/92/33/782169233.db2.gz YTENVENAISPQOJ-CHWSQXEVSA-N 2 2 314.430 -1.034 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199119858 782169241 /nfs/dbraw/zinc/16/92/41/782169241.db2.gz YTENVENAISPQOJ-CHWSQXEVSA-N 2 2 314.430 -1.034 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199119858 782169245 /nfs/dbraw/zinc/16/92/45/782169245.db2.gz YTENVENAISPQOJ-CHWSQXEVSA-N 2 2 314.430 -1.034 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111669 782172080 /nfs/dbraw/zinc/17/20/80/782172080.db2.gz GRDIQOJTGWANTP-FRRDWIJNSA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111669 782172086 /nfs/dbraw/zinc/17/20/86/782172086.db2.gz GRDIQOJTGWANTP-FRRDWIJNSA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111669 782172090 /nfs/dbraw/zinc/17/20/90/782172090.db2.gz GRDIQOJTGWANTP-FRRDWIJNSA-N 2 2 312.414 -1.281 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111669 782172095 /nfs/dbraw/zinc/17/20/95/782172095.db2.gz GRDIQOJTGWANTP-FRRDWIJNSA-N 2 2 312.414 -1.281 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020636628 662334470 /nfs/dbraw/zinc/33/44/70/662334470.db2.gz BFHUHIXICVTCDI-FXPVBKGRSA-N 2 2 305.338 -1.006 20 0 DAADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958249 662335444 /nfs/dbraw/zinc/33/54/44/662335444.db2.gz KINCEEVVAFOFGM-NQBHXWOUSA-N 2 2 312.414 -1.112 20 0 DAADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958249 662335447 /nfs/dbraw/zinc/33/54/47/662335447.db2.gz KINCEEVVAFOFGM-NQBHXWOUSA-N 2 2 312.414 -1.112 20 0 DAADLP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190448 662348995 /nfs/dbraw/zinc/34/89/95/662348995.db2.gz MVAFEVDDNYOUHC-CFFKWZFISA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190448 662348997 /nfs/dbraw/zinc/34/89/97/662348997.db2.gz MVAFEVDDNYOUHC-CFFKWZFISA-N 2 2 322.409 -1.229 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001021126520 662354674 /nfs/dbraw/zinc/35/46/74/662354674.db2.gz QMLFWPVLGZTIBJ-JOCQHMNTSA-N 2 2 321.381 -1.021 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021219404 662360400 /nfs/dbraw/zinc/36/04/00/662360400.db2.gz LDIKLGMNTMJWFA-WVMKXHBISA-N 2 2 310.398 -1.086 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001021219404 662360402 /nfs/dbraw/zinc/36/04/02/662360402.db2.gz LDIKLGMNTMJWFA-WVMKXHBISA-N 2 2 310.398 -1.086 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001021219404 662360406 /nfs/dbraw/zinc/36/04/06/662360406.db2.gz LDIKLGMNTMJWFA-WVMKXHBISA-N 2 2 310.398 -1.086 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001021219404 662360408 /nfs/dbraw/zinc/36/04/08/662360408.db2.gz LDIKLGMNTMJWFA-WVMKXHBISA-N 2 2 310.398 -1.086 20 0 DAADLP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1C[NH+](CC(N)=O)C1 ZINC000970557542 662364150 /nfs/dbraw/zinc/36/41/50/662364150.db2.gz MNVHFQSLSYCPJO-NSHDSACASA-N 2 2 322.413 -1.020 20 0 DAADLP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1C[NH+](CC(N)=O)C1 ZINC000970557539 662364420 /nfs/dbraw/zinc/36/44/20/662364420.db2.gz MNVHFQSLSYCPJO-LLVKDONJSA-N 2 2 322.413 -1.020 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)C1 ZINC000970956083 662376141 /nfs/dbraw/zinc/37/61/41/662376141.db2.gz BYDDXPGMWYJGPK-UHTWSYAYSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)C1 ZINC000970956083 662376144 /nfs/dbraw/zinc/37/61/44/662376144.db2.gz BYDDXPGMWYJGPK-UHTWSYAYSA-N 2 2 321.381 -1.408 20 0 DAADLP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021926085 662382963 /nfs/dbraw/zinc/38/29/63/662382963.db2.gz BJUIAJNVGYYJAN-GRYCIOLGSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021926085 662382966 /nfs/dbraw/zinc/38/29/66/662382966.db2.gz BJUIAJNVGYYJAN-GRYCIOLGSA-N 2 2 308.386 -1.118 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001021927952 662383084 /nfs/dbraw/zinc/38/30/84/662383084.db2.gz KATMWYAJUIOIHP-WISYIIOYSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001021927952 662383087 /nfs/dbraw/zinc/38/30/87/662383087.db2.gz KATMWYAJUIOIHP-WISYIIOYSA-N 2 2 323.401 -1.162 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971679808 662388764 /nfs/dbraw/zinc/38/87/64/662388764.db2.gz VJCZLZRDQADRED-STQMWFEESA-N 2 2 322.413 -1.169 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971679808 662388765 /nfs/dbraw/zinc/38/87/65/662388765.db2.gz VJCZLZRDQADRED-STQMWFEESA-N 2 2 322.413 -1.169 20 0 DAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000926338098 662397150 /nfs/dbraw/zinc/39/71/50/662397150.db2.gz 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C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719883 662527668 /nfs/dbraw/zinc/52/76/68/662527668.db2.gz WNSGQEIIUDMJBP-DGTMBMJNSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719883 662527669 /nfs/dbraw/zinc/52/76/69/662527669.db2.gz WNSGQEIIUDMJBP-DGTMBMJNSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719883 662527670 /nfs/dbraw/zinc/52/76/70/662527670.db2.gz WNSGQEIIUDMJBP-DGTMBMJNSA-N 2 2 324.425 -1.160 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719890 662527700 /nfs/dbraw/zinc/52/77/00/662527700.db2.gz WPWIFPJEPGKOLR-OBPIAQAESA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719890 662527702 /nfs/dbraw/zinc/52/77/02/662527702.db2.gz WPWIFPJEPGKOLR-OBPIAQAESA-N 2 2 310.398 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WNSGQEIIUDMJBP-ODXJTPSBSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719884 662527870 /nfs/dbraw/zinc/52/78/70/662527870.db2.gz WNSGQEIIUDMJBP-ODXJTPSBSA-N 2 2 324.425 -1.160 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818339 662534723 /nfs/dbraw/zinc/53/47/23/662534723.db2.gz PCYWBCABJBMRLS-WZBKEBKWSA-N 2 2 324.425 -1.114 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001025818339 662534728 /nfs/dbraw/zinc/53/47/28/662534728.db2.gz PCYWBCABJBMRLS-WZBKEBKWSA-N 2 2 324.425 -1.114 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001025818339 662534733 /nfs/dbraw/zinc/53/47/33/662534733.db2.gz PCYWBCABJBMRLS-WZBKEBKWSA-N 2 2 324.425 -1.114 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001025818339 662534737 /nfs/dbraw/zinc/53/47/37/662534737.db2.gz PCYWBCABJBMRLS-WZBKEBKWSA-N 2 2 324.425 -1.114 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001020026253 662537047 /nfs/dbraw/zinc/53/70/47/662537047.db2.gz MQKQLSQHLKMOMW-GMTAPVOTSA-N 2 2 308.386 -1.061 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001020026253 662537051 /nfs/dbraw/zinc/53/70/51/662537051.db2.gz MQKQLSQHLKMOMW-GMTAPVOTSA-N 2 2 308.386 -1.061 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147807 662542613 /nfs/dbraw/zinc/54/26/13/662542613.db2.gz OHNJMQLVQBXBBQ-LBELIVKGSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147807 662542615 /nfs/dbraw/zinc/54/26/15/662542615.db2.gz OHNJMQLVQBXBBQ-LBELIVKGSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147807 662542618 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CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000979075775 662619749 /nfs/dbraw/zinc/61/97/49/662619749.db2.gz XIZPMAIHQTZYER-FVCCEPFGSA-N 2 2 310.398 -1.514 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000979075775 662619750 /nfs/dbraw/zinc/61/97/50/662619750.db2.gz XIZPMAIHQTZYER-FVCCEPFGSA-N 2 2 310.398 -1.514 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979075775 662619752 /nfs/dbraw/zinc/61/97/52/662619752.db2.gz XIZPMAIHQTZYER-FVCCEPFGSA-N 2 2 310.398 -1.514 20 0 DAADLP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037340 662641975 /nfs/dbraw/zinc/64/19/75/662641975.db2.gz VIIYUTMQHMIHMT-BTJONVMOSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037340 662641977 /nfs/dbraw/zinc/64/19/77/662641977.db2.gz VIIYUTMQHMIHMT-BTJONVMOSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037340 662641978 /nfs/dbraw/zinc/64/19/78/662641978.db2.gz VIIYUTMQHMIHMT-BTJONVMOSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037340 662641979 /nfs/dbraw/zinc/64/19/79/662641979.db2.gz VIIYUTMQHMIHMT-BTJONVMOSA-N 2 2 322.409 -1.085 20 0 DAADLP CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686587 662646285 /nfs/dbraw/zinc/64/62/85/662646285.db2.gz UKBDBCZQGYUKHP-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686587 662646287 /nfs/dbraw/zinc/64/62/87/662646287.db2.gz UKBDBCZQGYUKHP-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686587 662646290 /nfs/dbraw/zinc/64/62/90/662646290.db2.gz UKBDBCZQGYUKHP-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686587 662646294 /nfs/dbraw/zinc/64/62/94/662646294.db2.gz UKBDBCZQGYUKHP-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245603 662653041 /nfs/dbraw/zinc/65/30/41/662653041.db2.gz LONOXVTYZHCSGP-VBNZEHGJSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@]3(C)C[NH+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245603 662653043 /nfs/dbraw/zinc/65/30/43/662653043.db2.gz LONOXVTYZHCSGP-VBNZEHGJSA-N 2 2 324.425 -1.027 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245603 662653045 /nfs/dbraw/zinc/65/30/45/662653045.db2.gz LONOXVTYZHCSGP-VBNZEHGJSA-N 2 2 324.425 -1.027 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245603 662653046 /nfs/dbraw/zinc/65/30/46/662653046.db2.gz LONOXVTYZHCSGP-VBNZEHGJSA-N 2 2 324.425 -1.027 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461263 662672656 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CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326406 664562049 /nfs/dbraw/zinc/56/20/49/664562049.db2.gz ZOAMMUAKNSCKHL-WULFKBJJSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015821850 664568145 /nfs/dbraw/zinc/56/81/45/664568145.db2.gz BWCRSACREFYLCD-CYBMUJFWSA-N 2 2 322.413 -1.005 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015821850 664568146 /nfs/dbraw/zinc/56/81/46/664568146.db2.gz BWCRSACREFYLCD-CYBMUJFWSA-N 2 2 322.413 -1.005 20 0 DAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)cn1 ZINC001015826415 664568494 /nfs/dbraw/zinc/56/84/94/664568494.db2.gz GIRZBVAKSXZOPV-GFCCVEGCSA-N 2 2 308.386 -1.266 20 0 DAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001015826415 664568495 /nfs/dbraw/zinc/56/84/95/664568495.db2.gz GIRZBVAKSXZOPV-GFCCVEGCSA-N 2 2 308.386 -1.266 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001016397901 664574450 /nfs/dbraw/zinc/57/44/50/664574450.db2.gz PKCIZRHQYWYTQN-NSHDSACASA-N 2 2 320.353 -1.375 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016397901 664574453 /nfs/dbraw/zinc/57/44/53/664574453.db2.gz PKCIZRHQYWYTQN-NSHDSACASA-N 2 2 320.353 -1.375 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001018663936 664588675 /nfs/dbraw/zinc/58/86/75/664588675.db2.gz URVFJEYVWXSWFE-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001018663936 664588677 /nfs/dbraw/zinc/58/86/77/664588677.db2.gz URVFJEYVWXSWFE-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019867898 664605680 /nfs/dbraw/zinc/60/56/80/664605680.db2.gz PSHGJMKDBIIQDL-NSHDSACASA-N 2 2 320.353 -1.375 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001020045748 664608106 /nfs/dbraw/zinc/60/81/06/664608106.db2.gz KATMWYAJUIOIHP-KKOKHZNYSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001020045748 664608108 /nfs/dbraw/zinc/60/81/08/664608108.db2.gz KATMWYAJUIOIHP-KKOKHZNYSA-N 2 2 323.401 -1.162 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020045986 664608243 /nfs/dbraw/zinc/60/82/43/664608243.db2.gz QXBFBOHOFXTWFU-DCAQKATOSA-N 2 2 309.374 -1.723 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020045986 664608244 /nfs/dbraw/zinc/60/82/44/664608244.db2.gz QXBFBOHOFXTWFU-DCAQKATOSA-N 2 2 309.374 -1.723 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020045530 664608422 /nfs/dbraw/zinc/60/84/22/664608422.db2.gz DMSJLHNMPRHCOD-GVXVVHGQSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020045530 664608424 /nfs/dbraw/zinc/60/84/24/664608424.db2.gz DMSJLHNMPRHCOD-GVXVVHGQSA-N 2 2 308.386 -1.118 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001020288037 664611214 /nfs/dbraw/zinc/61/12/14/664611214.db2.gz WMWKNJHKESLREN-DDHJBXDOSA-N 2 2 323.401 -1.334 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001020288037 664611216 /nfs/dbraw/zinc/61/12/16/664611216.db2.gz WMWKNJHKESLREN-DDHJBXDOSA-N 2 2 323.401 -1.334 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083207752 677682194 /nfs/dbraw/zinc/68/21/94/677682194.db2.gz MULYMLCGKATRRP-FRRDWIJNSA-N 2 2 319.365 -1.248 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083207752 677682195 /nfs/dbraw/zinc/68/21/95/677682195.db2.gz MULYMLCGKATRRP-FRRDWIJNSA-N 2 2 319.365 -1.248 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058547581 677683135 /nfs/dbraw/zinc/68/31/35/677683135.db2.gz MWLHGLHKPQOXEO-LBPRGKRZSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001058547581 677683136 /nfs/dbraw/zinc/68/31/36/677683136.db2.gz MWLHGLHKPQOXEO-LBPRGKRZSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058550257 677683693 /nfs/dbraw/zinc/68/36/93/677683693.db2.gz QDZDWNMIHMMLLN-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058550257 677683694 /nfs/dbraw/zinc/68/36/94/677683694.db2.gz QDZDWNMIHMMLLN-LBPRGKRZSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001058710631 677687078 /nfs/dbraw/zinc/68/70/78/677687078.db2.gz IOARVYAUNXPNTC-UHFFFAOYSA-N 2 2 311.386 -1.159 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001058948985 677689852 /nfs/dbraw/zinc/68/98/52/677689852.db2.gz INXFPXCAJUVWSH-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001058948985 677689853 /nfs/dbraw/zinc/68/98/53/677689853.db2.gz INXFPXCAJUVWSH-GFCCVEGCSA-N 2 2 323.397 -1.159 20 0 DAADLP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058949100 677689926 /nfs/dbraw/zinc/68/99/26/677689926.db2.gz IWLPUXHPJUBDSV-UHFFFAOYSA-N 2 2 311.386 -1.159 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372755 677692102 /nfs/dbraw/zinc/69/21/02/677692102.db2.gz CWSHOUYBLSWXFP-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372755 677692103 /nfs/dbraw/zinc/69/21/03/677692103.db2.gz CWSHOUYBLSWXFP-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372755 677692104 /nfs/dbraw/zinc/69/21/04/677692104.db2.gz CWSHOUYBLSWXFP-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372755 677692105 /nfs/dbraw/zinc/69/21/05/677692105.db2.gz CWSHOUYBLSWXFP-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001076805556 677758451 /nfs/dbraw/zinc/75/84/51/677758451.db2.gz MGEPFWXFJNFQOR-JHJVBQTASA-N 2 2 308.386 -1.466 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001076805556 677758455 /nfs/dbraw/zinc/75/84/55/677758455.db2.gz MGEPFWXFJNFQOR-JHJVBQTASA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076805556 677758457 /nfs/dbraw/zinc/75/84/57/677758457.db2.gz MGEPFWXFJNFQOR-JHJVBQTASA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076805556 677758460 /nfs/dbraw/zinc/75/84/60/677758460.db2.gz MGEPFWXFJNFQOR-JHJVBQTASA-N 2 2 308.386 -1.466 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003226 677778234 /nfs/dbraw/zinc/77/82/34/677778234.db2.gz ZFOMCBTXAWLKGP-MGPQQGTHSA-N 2 2 324.425 -1.422 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003226 677778239 /nfs/dbraw/zinc/77/82/39/677778239.db2.gz ZFOMCBTXAWLKGP-MGPQQGTHSA-N 2 2 324.425 -1.422 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001077023634 677780200 /nfs/dbraw/zinc/78/02/00/677780200.db2.gz LEWFDTZMBVSUCC-FDYHWXHSSA-N 2 2 312.414 -1.424 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001077023634 677780204 /nfs/dbraw/zinc/78/02/04/677780204.db2.gz LEWFDTZMBVSUCC-FDYHWXHSSA-N 2 2 312.414 -1.424 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077023634 677780208 /nfs/dbraw/zinc/78/02/08/677780208.db2.gz LEWFDTZMBVSUCC-FDYHWXHSSA-N 2 2 312.414 -1.424 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001077023634 677780215 /nfs/dbraw/zinc/78/02/15/677780215.db2.gz LEWFDTZMBVSUCC-FDYHWXHSSA-N 2 2 312.414 -1.424 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)no1 ZINC001077275016 677795207 /nfs/dbraw/zinc/79/52/07/677795207.db2.gz NQHHBXCVLBWXCP-CHWSQXEVSA-N 2 2 312.370 -1.107 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)no1 ZINC001077275016 677795208 /nfs/dbraw/zinc/79/52/08/677795208.db2.gz NQHHBXCVLBWXCP-CHWSQXEVSA-N 2 2 312.370 -1.107 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077392464 677803383 /nfs/dbraw/zinc/80/33/83/677803383.db2.gz CMHSFXWZSVDQEC-YNEHKIRRSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077392464 677803386 /nfs/dbraw/zinc/80/33/86/677803386.db2.gz CMHSFXWZSVDQEC-YNEHKIRRSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083645010 677815395 /nfs/dbraw/zinc/81/53/95/677815395.db2.gz GMTSZDDDGFICOE-UPJWGTAASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083645010 677815399 /nfs/dbraw/zinc/81/53/99/677815399.db2.gz GMTSZDDDGFICOE-UPJWGTAASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001083644915 677815864 /nfs/dbraw/zinc/81/58/64/677815864.db2.gz BWDYWPKNUXBESI-UPJWGTAASA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001083644915 677815866 /nfs/dbraw/zinc/81/58/66/677815866.db2.gz BWDYWPKNUXBESI-UPJWGTAASA-N 2 2 321.381 -1.369 20 0 DAADLP C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+]1CCSCC1 ZINC000913182448 677823015 /nfs/dbraw/zinc/82/30/15/677823015.db2.gz HOXUMOAPTAAVQU-AAEUAGOBSA-N 2 2 303.428 -1.109 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1=O ZINC000913548584 677824889 /nfs/dbraw/zinc/82/48/89/677824889.db2.gz OTFGQXRZRNSPQY-CHWSQXEVSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1=O ZINC000913548584 677824891 /nfs/dbraw/zinc/82/48/91/677824891.db2.gz OTFGQXRZRNSPQY-CHWSQXEVSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040799199 677851732 /nfs/dbraw/zinc/85/17/32/677851732.db2.gz XFEMDRDSIWEXLU-HNNXBMFYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001083749912 677855461 /nfs/dbraw/zinc/85/54/61/677855461.db2.gz WIMDTQCXTYUJLW-RDBSUJKOSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001083749912 677855465 /nfs/dbraw/zinc/85/54/65/677855465.db2.gz WIMDTQCXTYUJLW-RDBSUJKOSA-N 2 2 324.425 -1.232 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083750398 677855852 /nfs/dbraw/zinc/85/58/52/677855852.db2.gz UYZZKFKLJILJRQ-MCIONIFRSA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083750398 677855853 /nfs/dbraw/zinc/85/58/53/677855853.db2.gz UYZZKFKLJILJRQ-MCIONIFRSA-N 2 2 324.425 -1.280 20 0 DAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566485 677858836 /nfs/dbraw/zinc/85/88/36/677858836.db2.gz CUQQTKUETZSMPH-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566485 677858842 /nfs/dbraw/zinc/85/88/42/677858842.db2.gz CUQQTKUETZSMPH-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566485 677858844 /nfs/dbraw/zinc/85/88/44/677858844.db2.gz CUQQTKUETZSMPH-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566485 677858847 /nfs/dbraw/zinc/85/88/47/677858847.db2.gz CUQQTKUETZSMPH-MGPQQGTHSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566484 677858949 /nfs/dbraw/zinc/85/89/49/677858949.db2.gz CUQQTKUETZSMPH-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566484 677858952 /nfs/dbraw/zinc/85/89/52/677858952.db2.gz CUQQTKUETZSMPH-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566484 677858958 /nfs/dbraw/zinc/85/89/58/677858958.db2.gz CUQQTKUETZSMPH-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566484 677858961 /nfs/dbraw/zinc/85/89/61/677858961.db2.gz CUQQTKUETZSMPH-MCIONIFRSA-N 2 2 315.414 -1.097 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077566930 677859317 /nfs/dbraw/zinc/85/93/17/677859317.db2.gz TZXOWGAJIOXAJJ-JHJVBQTASA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077566930 677859318 /nfs/dbraw/zinc/85/93/18/677859318.db2.gz TZXOWGAJIOXAJJ-JHJVBQTASA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077566930 677859319 /nfs/dbraw/zinc/85/93/19/677859319.db2.gz TZXOWGAJIOXAJJ-JHJVBQTASA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077566930 677859320 /nfs/dbraw/zinc/85/93/20/677859320.db2.gz TZXOWGAJIOXAJJ-JHJVBQTASA-N 2 2 301.387 -1.751 20 0 DAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047333480 677859779 /nfs/dbraw/zinc/85/97/79/677859779.db2.gz GGHVZWKYCILXOV-AVGNSLFASA-N 2 2 301.387 -1.797 20 0 DAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047333480 677859781 /nfs/dbraw/zinc/85/97/81/677859781.db2.gz GGHVZWKYCILXOV-AVGNSLFASA-N 2 2 301.387 -1.797 20 0 DAADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047333480 677859784 /nfs/dbraw/zinc/85/97/84/677859784.db2.gz GGHVZWKYCILXOV-AVGNSLFASA-N 2 2 301.387 -1.797 20 0 DAADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047333480 677859786 /nfs/dbraw/zinc/85/97/86/677859786.db2.gz GGHVZWKYCILXOV-AVGNSLFASA-N 2 2 301.387 -1.797 20 0 DAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C2 ZINC001083781290 677863153 /nfs/dbraw/zinc/86/31/53/677863153.db2.gz AZQDBTZUOAJRPH-BNOWGMLFSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C2 ZINC001083781290 677863155 /nfs/dbraw/zinc/86/31/55/677863155.db2.gz AZQDBTZUOAJRPH-BNOWGMLFSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)CC2 ZINC001077584769 677864932 /nfs/dbraw/zinc/86/49/32/677864932.db2.gz CXJKMSCWMPPNKO-MRVWCRGKSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077584769 677864935 /nfs/dbraw/zinc/86/49/35/677864935.db2.gz CXJKMSCWMPPNKO-MRVWCRGKSA-N 2 2 308.382 -1.092 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618221 677869672 /nfs/dbraw/zinc/86/96/72/677869672.db2.gz BTSBHHXWVJAZND-FRRDWIJNSA-N 2 2 312.414 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618221 677869675 /nfs/dbraw/zinc/86/96/75/677869675.db2.gz BTSBHHXWVJAZND-FRRDWIJNSA-N 2 2 312.414 -1.247 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618899 677869826 /nfs/dbraw/zinc/86/98/26/677869826.db2.gz UYZZKFKLJILJRQ-HZSPNIEDSA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618899 677869830 /nfs/dbraw/zinc/86/98/30/677869830.db2.gz UYZZKFKLJILJRQ-HZSPNIEDSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679301 677873073 /nfs/dbraw/zinc/87/30/73/677873073.db2.gz NMGRYKYCFASFKR-BFHYXJOUSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679301 677873075 /nfs/dbraw/zinc/87/30/75/677873075.db2.gz NMGRYKYCFASFKR-BFHYXJOUSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679301 677873079 /nfs/dbraw/zinc/87/30/79/677873079.db2.gz NMGRYKYCFASFKR-BFHYXJOUSA-N 2 2 322.413 -1.219 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077679301 677873082 /nfs/dbraw/zinc/87/30/82/677873082.db2.gz NMGRYKYCFASFKR-BFHYXJOUSA-N 2 2 322.413 -1.219 20 0 DAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C2 ZINC001077682597 677873779 /nfs/dbraw/zinc/87/37/79/677873779.db2.gz AZQDBTZUOAJRPH-IACUBPJLSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C2 ZINC001077682597 677873780 /nfs/dbraw/zinc/87/37/80/677873780.db2.gz AZQDBTZUOAJRPH-IACUBPJLSA-N 2 2 308.382 -1.092 20 0 DAADLP O=C(C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC001078012854 677903990 /nfs/dbraw/zinc/90/39/90/677903990.db2.gz FCAQQQDJPZLESG-CHWSQXEVSA-N 2 2 322.409 -1.524 20 0 DAADLP O=C(C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC001078012854 677903996 /nfs/dbraw/zinc/90/39/96/677903996.db2.gz FCAQQQDJPZLESG-CHWSQXEVSA-N 2 2 322.409 -1.524 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012793 677904312 /nfs/dbraw/zinc/90/43/12/677904312.db2.gz AUPJJGVESVVUJD-GRYCIOLGSA-N 2 2 308.382 -1.868 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012793 677904314 /nfs/dbraw/zinc/90/43/14/677904314.db2.gz AUPJJGVESVVUJD-GRYCIOLGSA-N 2 2 308.382 -1.868 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012944 677904684 /nfs/dbraw/zinc/90/46/84/677904684.db2.gz JMMIQJZTHLWLED-FRRDWIJNSA-N 2 2 322.409 -1.478 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012944 677904690 /nfs/dbraw/zinc/90/46/90/677904690.db2.gz JMMIQJZTHLWLED-FRRDWIJNSA-N 2 2 322.409 -1.478 20 0 DAADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001078174319 677916792 /nfs/dbraw/zinc/91/67/92/677916792.db2.gz IDMQVBQMYNCVEF-MRVWCRGKSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001078174319 677916796 /nfs/dbraw/zinc/91/67/96/677916796.db2.gz IDMQVBQMYNCVEF-MRVWCRGKSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001078174319 677916800 /nfs/dbraw/zinc/91/68/00/677916800.db2.gz IDMQVBQMYNCVEF-MRVWCRGKSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001078174319 677916805 /nfs/dbraw/zinc/91/68/05/677916805.db2.gz IDMQVBQMYNCVEF-MRVWCRGKSA-N 2 2 324.425 -1.280 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174609 677916989 /nfs/dbraw/zinc/91/69/89/677916989.db2.gz QIFORIGQPMDVIE-JHJVBQTASA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174609 677916991 /nfs/dbraw/zinc/91/69/91/677916991.db2.gz QIFORIGQPMDVIE-JHJVBQTASA-N 2 2 310.398 -1.668 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174609 677916993 /nfs/dbraw/zinc/91/69/93/677916993.db2.gz QIFORIGQPMDVIE-JHJVBQTASA-N 2 2 310.398 -1.668 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174609 677916995 /nfs/dbraw/zinc/91/69/95/677916995.db2.gz QIFORIGQPMDVIE-JHJVBQTASA-N 2 2 310.398 -1.668 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001078183311 677917165 /nfs/dbraw/zinc/91/71/65/677917165.db2.gz LHVJSGSQRYURPW-JHJVBQTASA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001078183311 677917169 /nfs/dbraw/zinc/91/71/69/677917169.db2.gz LHVJSGSQRYURPW-JHJVBQTASA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001078183310 677917259 /nfs/dbraw/zinc/91/72/59/677917259.db2.gz LHVJSGSQRYURPW-FRRDWIJNSA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001078183310 677917264 /nfs/dbraw/zinc/91/72/64/677917264.db2.gz LHVJSGSQRYURPW-FRRDWIJNSA-N 2 2 321.381 -1.369 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079950490 678029422 /nfs/dbraw/zinc/02/94/22/678029422.db2.gz WHPTXDZJJHMYDA-FDYHWXHSSA-N 2 2 312.414 -1.112 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079950490 678029424 /nfs/dbraw/zinc/02/94/24/678029424.db2.gz WHPTXDZJJHMYDA-FDYHWXHSSA-N 2 2 312.414 -1.112 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079950490 678029428 /nfs/dbraw/zinc/02/94/28/678029428.db2.gz WHPTXDZJJHMYDA-FDYHWXHSSA-N 2 2 312.414 -1.112 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079950490 678029430 /nfs/dbraw/zinc/02/94/30/678029430.db2.gz WHPTXDZJJHMYDA-FDYHWXHSSA-N 2 2 312.414 -1.112 20 0 DAADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935249 678044432 /nfs/dbraw/zinc/04/44/32/678044432.db2.gz ODOWHGJLWLXAND-IJLUTSLNSA-N 2 2 322.413 -1.003 20 0 DAADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935249 678044433 /nfs/dbraw/zinc/04/44/33/678044433.db2.gz ODOWHGJLWLXAND-IJLUTSLNSA-N 2 2 322.413 -1.003 20 0 DAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935249 678044435 /nfs/dbraw/zinc/04/44/35/678044435.db2.gz ODOWHGJLWLXAND-IJLUTSLNSA-N 2 2 322.413 -1.003 20 0 DAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935249 678044437 /nfs/dbraw/zinc/04/44/37/678044437.db2.gz ODOWHGJLWLXAND-IJLUTSLNSA-N 2 2 322.413 -1.003 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001081733881 678103168 /nfs/dbraw/zinc/10/31/68/678103168.db2.gz ZXVVWDTUVAEQQE-YPMHNXCESA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081694785 678103305 /nfs/dbraw/zinc/10/33/05/678103305.db2.gz AZZUXDRKZUERIH-RYUDHWBXSA-N 2 2 323.397 -1.161 20 0 DAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848035 678107736 /nfs/dbraw/zinc/10/77/36/678107736.db2.gz IURGHSMIFNPLAF-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848035 678107732 /nfs/dbraw/zinc/10/77/32/678107732.db2.gz IURGHSMIFNPLAF-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848035 678107733 /nfs/dbraw/zinc/10/77/33/678107733.db2.gz IURGHSMIFNPLAF-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848035 678107735 /nfs/dbraw/zinc/10/77/35/678107735.db2.gz IURGHSMIFNPLAF-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328302 678114690 /nfs/dbraw/zinc/11/46/90/678114690.db2.gz NHJUBHJQJLFQDV-FRRDWIJNSA-N 2 2 322.409 -1.214 20 0 DAADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328302 678114698 /nfs/dbraw/zinc/11/46/98/678114698.db2.gz NHJUBHJQJLFQDV-FRRDWIJNSA-N 2 2 322.409 -1.214 20 0 DAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368823 678116417 /nfs/dbraw/zinc/11/64/17/678116417.db2.gz OESQUPPAMUTBEJ-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368823 678116419 /nfs/dbraw/zinc/11/64/19/678116419.db2.gz OESQUPPAMUTBEJ-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368823 678116421 /nfs/dbraw/zinc/11/64/21/678116421.db2.gz OESQUPPAMUTBEJ-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368823 678116422 /nfs/dbraw/zinc/11/64/22/678116422.db2.gz OESQUPPAMUTBEJ-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083035156 678122219 /nfs/dbraw/zinc/12/22/19/678122219.db2.gz GOXQTUSNWJUXCQ-BFHYXJOUSA-N 2 2 313.398 -1.389 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)C1 ZINC001083035156 678122221 /nfs/dbraw/zinc/12/22/21/678122221.db2.gz GOXQTUSNWJUXCQ-BFHYXJOUSA-N 2 2 313.398 -1.389 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)C1 ZINC001083035156 678122223 /nfs/dbraw/zinc/12/22/23/678122223.db2.gz GOXQTUSNWJUXCQ-BFHYXJOUSA-N 2 2 313.398 -1.389 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083035156 678122225 /nfs/dbraw/zinc/12/22/25/678122225.db2.gz GOXQTUSNWJUXCQ-BFHYXJOUSA-N 2 2 313.398 -1.389 20 0 DAADLP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578141 678159220 /nfs/dbraw/zinc/15/92/20/678159220.db2.gz HKYKTGBYYORYEF-GFCCVEGCSA-N 2 2 310.398 -1.403 20 0 DAADLP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578141 678159221 /nfs/dbraw/zinc/15/92/21/678159221.db2.gz HKYKTGBYYORYEF-GFCCVEGCSA-N 2 2 310.398 -1.403 20 0 DAADLP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578141 678159224 /nfs/dbraw/zinc/15/92/24/678159224.db2.gz HKYKTGBYYORYEF-GFCCVEGCSA-N 2 2 310.398 -1.403 20 0 DAADLP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578141 678159226 /nfs/dbraw/zinc/15/92/26/678159226.db2.gz HKYKTGBYYORYEF-GFCCVEGCSA-N 2 2 310.398 -1.403 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580734 678159321 /nfs/dbraw/zinc/15/93/21/678159321.db2.gz ISIBUORHCLPAQE-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580734 678159323 /nfs/dbraw/zinc/15/93/23/678159323.db2.gz ISIBUORHCLPAQE-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580734 678159326 /nfs/dbraw/zinc/15/93/26/678159326.db2.gz ISIBUORHCLPAQE-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580734 678159328 /nfs/dbraw/zinc/15/93/28/678159328.db2.gz ISIBUORHCLPAQE-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849595 678164892 /nfs/dbraw/zinc/16/48/92/678164892.db2.gz IJEJXQXOSBURHM-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849595 678164893 /nfs/dbraw/zinc/16/48/93/678164893.db2.gz IJEJXQXOSBURHM-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849595 678164896 /nfs/dbraw/zinc/16/48/96/678164896.db2.gz IJEJXQXOSBURHM-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849595 678164899 /nfs/dbraw/zinc/16/48/99/678164899.db2.gz IJEJXQXOSBURHM-CHWSQXEVSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886549 678183197 /nfs/dbraw/zinc/18/31/97/678183197.db2.gz RCWRWYWFMULOMG-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886549 678183198 /nfs/dbraw/zinc/18/31/98/678183198.db2.gz RCWRWYWFMULOMG-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073886549 678183203 /nfs/dbraw/zinc/18/32/03/678183203.db2.gz RCWRWYWFMULOMG-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886549 678183206 /nfs/dbraw/zinc/18/32/06/678183206.db2.gz RCWRWYWFMULOMG-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019654848 678217523 /nfs/dbraw/zinc/21/75/23/678217523.db2.gz GFFCVCUBKNDINW-CMPLNLGQSA-N 2 2 319.365 -1.042 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167789 678268814 /nfs/dbraw/zinc/26/88/14/678268814.db2.gz RNEVKIYAQYYZEO-CJNGLKHVSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167789 678268818 /nfs/dbraw/zinc/26/88/18/678268818.db2.gz RNEVKIYAQYYZEO-CJNGLKHVSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167789 678268822 /nfs/dbraw/zinc/26/88/22/678268822.db2.gz RNEVKIYAQYYZEO-CJNGLKHVSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167789 678268828 /nfs/dbraw/zinc/26/88/28/678268828.db2.gz RNEVKIYAQYYZEO-CJNGLKHVSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167790 678269167 /nfs/dbraw/zinc/26/91/67/678269167.db2.gz RNEVKIYAQYYZEO-CZUORRHYSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041167790 678269168 /nfs/dbraw/zinc/26/91/68/678269168.db2.gz RNEVKIYAQYYZEO-CZUORRHYSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041167790 678269169 /nfs/dbraw/zinc/26/91/69/678269169.db2.gz RNEVKIYAQYYZEO-CZUORRHYSA-N 2 2 324.425 -1.013 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041167790 678269170 /nfs/dbraw/zinc/26/91/70/678269170.db2.gz RNEVKIYAQYYZEO-CZUORRHYSA-N 2 2 324.425 -1.013 20 0 DAADLP O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001043128075 678367137 /nfs/dbraw/zinc/36/71/37/678367137.db2.gz SJKIPYZLEKOCQN-UHFFFAOYSA-N 2 2 321.381 -1.332 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043429781 678379739 /nfs/dbraw/zinc/37/97/39/678379739.db2.gz FVNNNUGWZCYPQJ-UHFFFAOYSA-N 2 2 323.397 -1.018 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043429781 678379743 /nfs/dbraw/zinc/37/97/43/678379743.db2.gz FVNNNUGWZCYPQJ-UHFFFAOYSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043525581 678384713 /nfs/dbraw/zinc/38/47/13/678384713.db2.gz PWLIDRBVZMQEFJ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043525581 678384716 /nfs/dbraw/zinc/38/47/16/678384716.db2.gz PWLIDRBVZMQEFJ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043709757 678390850 /nfs/dbraw/zinc/39/08/50/678390850.db2.gz HJHVNAJVNXXMGN-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001043717701 678391851 /nfs/dbraw/zinc/39/18/51/678391851.db2.gz QMDYZBJXJFYEQL-LBPRGKRZSA-N 2 2 321.381 -1.476 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001043717701 678391855 /nfs/dbraw/zinc/39/18/55/678391855.db2.gz QMDYZBJXJFYEQL-LBPRGKRZSA-N 2 2 321.381 -1.476 20 0 DAADLP CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1)[NH+](C)C ZINC001044043588 678410705 /nfs/dbraw/zinc/41/07/05/678410705.db2.gz DIKOCTRTHFJBAP-LBPRGKRZSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001045282015 678453938 /nfs/dbraw/zinc/45/39/38/678453938.db2.gz SQQYOYBMLBZWKX-NSHDSACASA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045717109 678470115 /nfs/dbraw/zinc/47/01/15/678470115.db2.gz UNOULXAXDOUAIY-UHFFFAOYSA-N 2 2 309.370 -1.407 20 0 DAADLP C[C@]1(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+](CC(N)=O)C1 ZINC001046501142 678483547 /nfs/dbraw/zinc/48/35/47/678483547.db2.gz KQTPFKRSENTZJL-IAWSLSPSSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@]1(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+](CC(N)=O)C1 ZINC001046501142 678483549 /nfs/dbraw/zinc/48/35/49/678483549.db2.gz KQTPFKRSENTZJL-IAWSLSPSSA-N 2 2 322.409 -1.085 20 0 DAADLP C[C@]1(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC[NH+](CC(N)=O)C1 ZINC001046501142 678483554 /nfs/dbraw/zinc/48/35/54/678483554.db2.gz KQTPFKRSENTZJL-IAWSLSPSSA-N 2 2 322.409 -1.085 20 0 DAADLP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001046531854 678484547 /nfs/dbraw/zinc/48/45/47/678484547.db2.gz VLKPTSKJZAIWFD-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001046531854 678484549 /nfs/dbraw/zinc/48/45/49/678484549.db2.gz VLKPTSKJZAIWFD-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047170891 678501211 /nfs/dbraw/zinc/50/12/11/678501211.db2.gz BBWDOKNWKHWSNQ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047170891 678501214 /nfs/dbraw/zinc/50/12/14/678501214.db2.gz BBWDOKNWKHWSNQ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047172679 678501885 /nfs/dbraw/zinc/50/18/85/678501885.db2.gz WJFBJSAGBVDYIB-LBPRGKRZSA-N 2 2 321.381 -1.264 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047172679 678501886 /nfs/dbraw/zinc/50/18/86/678501886.db2.gz WJFBJSAGBVDYIB-LBPRGKRZSA-N 2 2 321.381 -1.264 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)O1 ZINC001047428163 678518569 /nfs/dbraw/zinc/51/85/69/678518569.db2.gz BOCIGRGXQJIDDF-MROQNXINSA-N 2 2 301.387 -1.799 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)O1 ZINC001047428163 678518571 /nfs/dbraw/zinc/51/85/71/678518571.db2.gz BOCIGRGXQJIDDF-MROQNXINSA-N 2 2 301.387 -1.799 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)O1 ZINC001047428163 678518573 /nfs/dbraw/zinc/51/85/73/678518573.db2.gz BOCIGRGXQJIDDF-MROQNXINSA-N 2 2 301.387 -1.799 20 0 DAADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047439405 678520287 /nfs/dbraw/zinc/52/02/87/678520287.db2.gz FSMQJEWUFAXTJH-STQMWFEESA-N 2 2 312.370 -1.154 20 0 DAADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047439405 678520291 /nfs/dbraw/zinc/52/02/91/678520291.db2.gz FSMQJEWUFAXTJH-STQMWFEESA-N 2 2 312.370 -1.154 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047458752 678522430 /nfs/dbraw/zinc/52/24/30/678522430.db2.gz DHALSZIITZBKLK-AVGNSLFASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047458752 678522432 /nfs/dbraw/zinc/52/24/32/678522432.db2.gz DHALSZIITZBKLK-AVGNSLFASA-N 2 2 321.381 -1.416 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047484313 678524171 /nfs/dbraw/zinc/52/41/71/678524171.db2.gz RGMFPCGOMIFVLZ-MQYQWHSLSA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047484313 678524173 /nfs/dbraw/zinc/52/41/73/678524173.db2.gz RGMFPCGOMIFVLZ-MQYQWHSLSA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047484313 678524174 /nfs/dbraw/zinc/52/41/74/678524174.db2.gz RGMFPCGOMIFVLZ-MQYQWHSLSA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047484313 678524176 /nfs/dbraw/zinc/52/41/76/678524176.db2.gz RGMFPCGOMIFVLZ-MQYQWHSLSA-N 2 2 324.425 -1.137 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598555 678534377 /nfs/dbraw/zinc/53/43/77/678534377.db2.gz OMJQVOYKILUZDQ-STQMWFEESA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598555 678534380 /nfs/dbraw/zinc/53/43/80/678534380.db2.gz OMJQVOYKILUZDQ-STQMWFEESA-N 2 2 324.425 -1.326 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624138 678537821 /nfs/dbraw/zinc/53/78/21/678537821.db2.gz BULRWOQUDKIURT-AVGNSLFASA-N 2 2 323.397 -1.041 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624138 678537824 /nfs/dbraw/zinc/53/78/24/678537824.db2.gz BULRWOQUDKIURT-AVGNSLFASA-N 2 2 323.397 -1.041 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739094 678558816 /nfs/dbraw/zinc/55/88/16/678558816.db2.gz GVPNOXYWSHDPPQ-CRWXNKLISA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739094 678558820 /nfs/dbraw/zinc/55/88/20/678558820.db2.gz GVPNOXYWSHDPPQ-CRWXNKLISA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739094 678558824 /nfs/dbraw/zinc/55/88/24/678558824.db2.gz GVPNOXYWSHDPPQ-CRWXNKLISA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739094 678558829 /nfs/dbraw/zinc/55/88/29/678558829.db2.gz GVPNOXYWSHDPPQ-CRWXNKLISA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739097 678558935 /nfs/dbraw/zinc/55/89/35/678558935.db2.gz GVPNOXYWSHDPPQ-XJFOESAGSA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739097 678558938 /nfs/dbraw/zinc/55/89/38/678558938.db2.gz GVPNOXYWSHDPPQ-XJFOESAGSA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739097 678558939 /nfs/dbraw/zinc/55/89/39/678558939.db2.gz GVPNOXYWSHDPPQ-XJFOESAGSA-N 2 2 324.425 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739097 678558942 /nfs/dbraw/zinc/55/89/42/678558942.db2.gz GVPNOXYWSHDPPQ-XJFOESAGSA-N 2 2 324.425 -1.029 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740182 678558972 /nfs/dbraw/zinc/55/89/72/678558972.db2.gz UZLNZMGPOAYNBQ-MJBXVCDLSA-N 2 2 324.425 -1.205 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740182 678558974 /nfs/dbraw/zinc/55/89/74/678558974.db2.gz UZLNZMGPOAYNBQ-MJBXVCDLSA-N 2 2 324.425 -1.205 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740182 678558979 /nfs/dbraw/zinc/55/89/79/678558979.db2.gz UZLNZMGPOAYNBQ-MJBXVCDLSA-N 2 2 324.425 -1.205 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740182 678558982 /nfs/dbraw/zinc/55/89/82/678558982.db2.gz UZLNZMGPOAYNBQ-MJBXVCDLSA-N 2 2 324.425 -1.205 20 0 DAADLP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049435091 678582260 /nfs/dbraw/zinc/58/22/60/678582260.db2.gz IOINJQBGULYVKC-RYUDHWBXSA-N 2 2 323.397 -1.066 20 0 DAADLP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049428913 678582611 /nfs/dbraw/zinc/58/26/11/678582611.db2.gz QVCBHMHCGKXJLH-STQMWFEESA-N 2 2 323.397 -1.135 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057213738 678700269 /nfs/dbraw/zinc/70/02/69/678700269.db2.gz OAXYPBGDBRTICE-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057213738 678700271 /nfs/dbraw/zinc/70/02/71/678700271.db2.gz OAXYPBGDBRTICE-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006572 678701024 /nfs/dbraw/zinc/70/10/24/678701024.db2.gz MROUKGBHWAADHK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006572 678701027 /nfs/dbraw/zinc/70/10/27/678701027.db2.gz MROUKGBHWAADHK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006572 678701029 /nfs/dbraw/zinc/70/10/29/678701029.db2.gz MROUKGBHWAADHK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006572 678701032 /nfs/dbraw/zinc/70/10/32/678701032.db2.gz MROUKGBHWAADHK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051745897 678767970 /nfs/dbraw/zinc/76/79/70/678767970.db2.gz XFWJAZUMYVBYJC-OLZOCXBDSA-N 2 2 321.381 -1.021 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)C1=O ZINC001051884894 678778246 /nfs/dbraw/zinc/77/82/46/678778246.db2.gz VJPLNFIRZICCKV-NWDGAFQWSA-N 2 2 321.381 -1.000 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051916964 678778877 /nfs/dbraw/zinc/77/88/77/678778877.db2.gz QBYNWYUCKFFTBX-VXGBXAGGSA-N 2 2 321.381 -1.034 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051902604 678778920 /nfs/dbraw/zinc/77/89/20/678778920.db2.gz IRWVZOTYARHEKA-QWHCGFSZSA-N 2 2 321.381 -1.332 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051902602 678778946 /nfs/dbraw/zinc/77/89/46/678778946.db2.gz IRWVZOTYARHEKA-CHWSQXEVSA-N 2 2 321.381 -1.332 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)C1=O ZINC001051951601 678781167 /nfs/dbraw/zinc/78/11/67/678781167.db2.gz KLAKETPBFYKAHQ-QWHCGFSZSA-N 2 2 321.381 -1.069 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051948299 678781508 /nfs/dbraw/zinc/78/15/08/678781508.db2.gz KPHAODUVAJBDDO-QWHCGFSZSA-N 2 2 321.381 -1.021 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116968 678786690 /nfs/dbraw/zinc/78/66/90/678786690.db2.gz CHISSVMQWSKQPQ-UONOGXRCSA-N 2 2 323.441 -1.358 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116968 678786694 /nfs/dbraw/zinc/78/66/94/678786694.db2.gz CHISSVMQWSKQPQ-UONOGXRCSA-N 2 2 323.441 -1.358 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069902548 678846169 /nfs/dbraw/zinc/84/61/69/678846169.db2.gz CLTUGJDCCWLGMC-AGIUHOORSA-N 2 2 308.386 -1.294 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1n1ccnn1 ZINC001069902548 678846172 /nfs/dbraw/zinc/84/61/72/678846172.db2.gz CLTUGJDCCWLGMC-AGIUHOORSA-N 2 2 308.386 -1.294 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902548 678846175 /nfs/dbraw/zinc/84/61/75/678846175.db2.gz CLTUGJDCCWLGMC-AGIUHOORSA-N 2 2 308.386 -1.294 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902548 678846178 /nfs/dbraw/zinc/84/61/78/678846178.db2.gz CLTUGJDCCWLGMC-AGIUHOORSA-N 2 2 308.386 -1.294 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070109188 678854725 /nfs/dbraw/zinc/85/47/25/678854725.db2.gz JYRYGUVVFNOCLN-NEPJUHHUSA-N 2 2 305.342 -1.491 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070109188 678854728 /nfs/dbraw/zinc/85/47/28/678854728.db2.gz JYRYGUVVFNOCLN-NEPJUHHUSA-N 2 2 305.342 -1.491 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070109225 678854795 /nfs/dbraw/zinc/85/47/95/678854795.db2.gz MGVYVIUMYKLYCZ-OLZOCXBDSA-N 2 2 319.369 -1.101 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070109225 678854796 /nfs/dbraw/zinc/85/47/96/678854796.db2.gz MGVYVIUMYKLYCZ-OLZOCXBDSA-N 2 2 319.369 -1.101 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070185064 678858089 /nfs/dbraw/zinc/85/80/89/678858089.db2.gz BNAWMNJJAIKKNG-NEPJUHHUSA-N 2 2 319.369 -1.032 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390743000 678859894 /nfs/dbraw/zinc/85/98/94/678859894.db2.gz SKENVBVSEAXIRW-ZIAGYGMSSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390743000 678859896 /nfs/dbraw/zinc/85/98/96/678859896.db2.gz SKENVBVSEAXIRW-ZIAGYGMSSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390743000 678859897 /nfs/dbraw/zinc/85/98/97/678859897.db2.gz SKENVBVSEAXIRW-ZIAGYGMSSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390743000 678859899 /nfs/dbraw/zinc/85/98/99/678859899.db2.gz SKENVBVSEAXIRW-ZIAGYGMSSA-N 3 2 316.446 -1.288 20 0 DAADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070338348 678864801 /nfs/dbraw/zinc/86/48/01/678864801.db2.gz ZAERRAQLMRPRIV-UPJWGTAASA-N 2 2 319.369 -1.103 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070980133 678879220 /nfs/dbraw/zinc/87/92/20/678879220.db2.gz RCKNTTVKLBIFRA-UHFFFAOYSA-N 2 2 323.397 -1.166 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070980133 678879226 /nfs/dbraw/zinc/87/92/26/678879226.db2.gz RCKNTTVKLBIFRA-UHFFFAOYSA-N 2 2 323.397 -1.166 20 0 DAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201105098 782211175 /nfs/dbraw/zinc/21/11/75/782211175.db2.gz ZBWCRUQSNVZVRG-GFCCVEGCSA-N 2 2 309.370 -1.034 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201480952 782218816 /nfs/dbraw/zinc/21/88/16/782218816.db2.gz BURNSWQCAXEXDF-GFCCVEGCSA-N 2 2 309.370 -1.095 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201727147 782220449 /nfs/dbraw/zinc/22/04/49/782220449.db2.gz TZDSCBBXFQIHSK-NSHDSACASA-N 2 2 309.370 -1.095 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201857034 782222344 /nfs/dbraw/zinc/22/23/44/782222344.db2.gz RYQSNYHXECMKSF-LBPRGKRZSA-N 2 2 309.370 -1.345 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217239 782230221 /nfs/dbraw/zinc/23/02/21/782230221.db2.gz OFCFQPIREQTLSU-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](C)C ZINC001114463107 782250063 /nfs/dbraw/zinc/25/00/63/782250063.db2.gz FGCKLFJCDRYMHI-XZUYRWCXSA-N 2 2 322.413 -1.005 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](C)C ZINC001114463107 782250072 /nfs/dbraw/zinc/25/00/72/782250072.db2.gz FGCKLFJCDRYMHI-XZUYRWCXSA-N 2 2 322.413 -1.005 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466244 782250806 /nfs/dbraw/zinc/25/08/06/782250806.db2.gz OEOAMJKUIAWEIF-XZUYRWCXSA-N 2 2 323.397 -1.288 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466244 782250815 /nfs/dbraw/zinc/25/08/15/782250815.db2.gz OEOAMJKUIAWEIF-XZUYRWCXSA-N 2 2 323.397 -1.288 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466244 782250825 /nfs/dbraw/zinc/25/08/25/782250825.db2.gz OEOAMJKUIAWEIF-XZUYRWCXSA-N 2 2 323.397 -1.288 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114466244 782250833 /nfs/dbraw/zinc/25/08/33/782250833.db2.gz OEOAMJKUIAWEIF-XZUYRWCXSA-N 2 2 323.397 -1.288 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667411 782255500 /nfs/dbraw/zinc/25/55/00/782255500.db2.gz KFKYJHZVTRNHEO-UHFFFAOYSA-N 2 2 322.369 -1.012 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001111406913 782357494 /nfs/dbraw/zinc/35/74/94/782357494.db2.gz GRFXFLDEIFIEBN-QCNOEVLYSA-N 2 2 323.397 -1.146 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001111406913 782357504 /nfs/dbraw/zinc/35/75/04/782357504.db2.gz GRFXFLDEIFIEBN-QCNOEVLYSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001111406913 782357516 /nfs/dbraw/zinc/35/75/16/782357516.db2.gz GRFXFLDEIFIEBN-QCNOEVLYSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001111406913 782357522 /nfs/dbraw/zinc/35/75/22/782357522.db2.gz GRFXFLDEIFIEBN-QCNOEVLYSA-N 2 2 323.397 -1.146 20 0 DAADLP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001043158463 782397576 /nfs/dbraw/zinc/39/75/76/782397576.db2.gz ZINVUELQKFPXHZ-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047627098 782406444 /nfs/dbraw/zinc/40/64/44/782406444.db2.gz JTVNCNADFZXDJP-RDBSUJKOSA-N 2 2 324.425 -1.184 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047627098 782406451 /nfs/dbraw/zinc/40/64/51/782406451.db2.gz JTVNCNADFZXDJP-RDBSUJKOSA-N 2 2 324.425 -1.184 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627552 782406582 /nfs/dbraw/zinc/40/65/82/782406582.db2.gz RHOXGHTYTVXFGQ-AVGNSLFASA-N 2 2 312.414 -1.280 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627552 782406587 /nfs/dbraw/zinc/40/65/87/782406587.db2.gz RHOXGHTYTVXFGQ-AVGNSLFASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905747 782434997 /nfs/dbraw/zinc/43/49/97/782434997.db2.gz NLICHMMYMWLEFW-AGIUHOORSA-N 2 2 308.386 -1.030 20 0 DAADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905747 782435001 /nfs/dbraw/zinc/43/50/01/782435001.db2.gz NLICHMMYMWLEFW-AGIUHOORSA-N 2 2 308.386 -1.030 20 0 DAADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905747 782435012 /nfs/dbraw/zinc/43/50/12/782435012.db2.gz NLICHMMYMWLEFW-AGIUHOORSA-N 2 2 308.386 -1.030 20 0 DAADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905747 782435017 /nfs/dbraw/zinc/43/50/17/782435017.db2.gz NLICHMMYMWLEFW-AGIUHOORSA-N 2 2 308.386 -1.030 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099985517 782524079 /nfs/dbraw/zinc/52/40/79/782524079.db2.gz DGNKRWFFLCXOBM-QWHCGFSZSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099985517 782524073 /nfs/dbraw/zinc/52/40/73/782524073.db2.gz DGNKRWFFLCXOBM-QWHCGFSZSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001100041508 782536695 /nfs/dbraw/zinc/53/66/95/782536695.db2.gz KHOGRVARBUWDND-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001100041508 782536703 /nfs/dbraw/zinc/53/67/03/782536703.db2.gz KHOGRVARBUWDND-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100048421 782540251 /nfs/dbraw/zinc/54/02/51/782540251.db2.gz LIKNTICPXCOVLP-NWDGAFQWSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100048421 782540255 /nfs/dbraw/zinc/54/02/55/782540255.db2.gz LIKNTICPXCOVLP-NWDGAFQWSA-N 2 2 312.370 -1.488 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100077255 782547512 /nfs/dbraw/zinc/54/75/12/782547512.db2.gz ZLWYTSHIDWYVNI-QWRGUYRKSA-N 2 2 302.375 -2.399 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100077255 782547518 /nfs/dbraw/zinc/54/75/18/782547518.db2.gz ZLWYTSHIDWYVNI-QWRGUYRKSA-N 2 2 302.375 -2.399 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110582 782555372 /nfs/dbraw/zinc/55/53/72/782555372.db2.gz YCBPQHXKGNAPOV-QWHCGFSZSA-N 2 2 323.397 -1.121 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110582 782555382 /nfs/dbraw/zinc/55/53/82/782555382.db2.gz YCBPQHXKGNAPOV-QWHCGFSZSA-N 2 2 323.397 -1.121 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125220 782558016 /nfs/dbraw/zinc/55/80/16/782558016.db2.gz UVGDYDJSAIWPCF-CHWSQXEVSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125220 782558026 /nfs/dbraw/zinc/55/80/26/782558026.db2.gz UVGDYDJSAIWPCF-CHWSQXEVSA-N 2 2 312.414 -1.101 20 0 DAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616191 782620953 /nfs/dbraw/zinc/62/09/53/782620953.db2.gz NPBXIGBBWILHHH-GHMZBOCLSA-N 2 2 322.369 -1.238 20 0 DAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616191 782620959 /nfs/dbraw/zinc/62/09/59/782620959.db2.gz NPBXIGBBWILHHH-GHMZBOCLSA-N 2 2 322.369 -1.238 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001114991941 782638533 /nfs/dbraw/zinc/63/85/33/782638533.db2.gz MBCQDMQACRWEJE-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001114991941 782638537 /nfs/dbraw/zinc/63/85/37/782638537.db2.gz MBCQDMQACRWEJE-YABSGUDNSA-N 2 2 322.413 -1.003 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115343477 782652065 /nfs/dbraw/zinc/65/20/65/782652065.db2.gz JFWYNBJTWRGYQA-UXCLJVHYSA-N 2 2 320.353 -1.487 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115343477 782652072 /nfs/dbraw/zinc/65/20/72/782652072.db2.gz JFWYNBJTWRGYQA-UXCLJVHYSA-N 2 2 320.353 -1.487 20 0 DAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001116958788 782670805 /nfs/dbraw/zinc/67/08/05/782670805.db2.gz YLMVKTGYCSJVNC-ZDUSSCGKSA-N 2 2 322.413 -1.249 20 0 DAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001116958788 782670814 /nfs/dbraw/zinc/67/08/14/782670814.db2.gz YLMVKTGYCSJVNC-ZDUSSCGKSA-N 2 2 322.413 -1.249 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC001118338718 782715907 /nfs/dbraw/zinc/71/59/07/782715907.db2.gz WVWCJIKWBKRZEW-UHFFFAOYSA-N 2 2 302.375 -2.132 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001167350061 775156748 /nfs/dbraw/zinc/15/67/48/775156748.db2.gz PLAVARCYYVMRDQ-UHFFFAOYSA-N 2 2 308.342 -1.400 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349553 775157404 /nfs/dbraw/zinc/15/74/04/775157404.db2.gz AUHLBXSXEZVWCI-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349552 775157469 /nfs/dbraw/zinc/15/74/69/775157469.db2.gz AUHLBXSXEZVWCI-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266979921 775191105 /nfs/dbraw/zinc/19/11/05/775191105.db2.gz LSWSFRLIIJWGKR-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266979921 775191110 /nfs/dbraw/zinc/19/11/10/775191110.db2.gz LSWSFRLIIJWGKR-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266976474 775191464 /nfs/dbraw/zinc/19/14/64/775191464.db2.gz ZUDKUSSLFLJRKU-JTQLQIEISA-N 2 2 322.369 -1.012 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CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)C1 ZINC001084078058 776156530 /nfs/dbraw/zinc/15/65/30/776156530.db2.gz LRAOLIMUHRNOGL-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)C1 ZINC001084078058 776156537 /nfs/dbraw/zinc/15/65/37/776156537.db2.gz LRAOLIMUHRNOGL-AGIUHOORSA-N 2 2 301.387 -1.485 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053030 776159140 /nfs/dbraw/zinc/15/91/40/776159140.db2.gz QIFORIGQPMDVIE-UPJWGTAASA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053030 776159142 /nfs/dbraw/zinc/15/91/42/776159142.db2.gz QIFORIGQPMDVIE-UPJWGTAASA-N 2 2 310.398 -1.668 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053030 776159144 /nfs/dbraw/zinc/15/91/44/776159144.db2.gz QIFORIGQPMDVIE-UPJWGTAASA-N 2 2 310.398 -1.668 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053030 776159147 /nfs/dbraw/zinc/15/91/47/776159147.db2.gz QIFORIGQPMDVIE-UPJWGTAASA-N 2 2 310.398 -1.668 20 0 DAADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052804 776159263 /nfs/dbraw/zinc/15/92/63/776159263.db2.gz IDMQVBQMYNCVEF-YUTCNCBUSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052804 776159266 /nfs/dbraw/zinc/15/92/66/776159266.db2.gz IDMQVBQMYNCVEF-YUTCNCBUSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052804 776159268 /nfs/dbraw/zinc/15/92/68/776159268.db2.gz IDMQVBQMYNCVEF-YUTCNCBUSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CC1 ZINC001084052804 776159270 /nfs/dbraw/zinc/15/92/70/776159270.db2.gz IDMQVBQMYNCVEF-YUTCNCBUSA-N 2 2 324.425 -1.280 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001084059494 776162530 /nfs/dbraw/zinc/16/25/30/776162530.db2.gz LHVJSGSQRYURPW-AGIUHOORSA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001084059494 776162534 /nfs/dbraw/zinc/16/25/34/776162534.db2.gz LHVJSGSQRYURPW-AGIUHOORSA-N 2 2 321.381 -1.369 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060371 776163052 /nfs/dbraw/zinc/16/30/52/776163052.db2.gz VOGXMQZTIYRSEU-UTUOFQBUSA-N 2 2 309.370 -1.383 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060371 776163054 /nfs/dbraw/zinc/16/30/54/776163054.db2.gz VOGXMQZTIYRSEU-UTUOFQBUSA-N 2 2 309.370 -1.383 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001084058345 776163266 /nfs/dbraw/zinc/16/32/66/776163266.db2.gz WNOJPXXAUMXYTP-KGLIPLIRSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001084058345 776163271 /nfs/dbraw/zinc/16/32/71/776163271.db2.gz WNOJPXXAUMXYTP-KGLIPLIRSA-N 2 2 324.425 -1.134 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972285 776207163 /nfs/dbraw/zinc/20/71/63/776207163.db2.gz UQDURXPCSBQYPB-RYUDHWBXSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972285 776207169 /nfs/dbraw/zinc/20/71/69/776207169.db2.gz UQDURXPCSBQYPB-RYUDHWBXSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972286 776207767 /nfs/dbraw/zinc/20/77/67/776207767.db2.gz UQDURXPCSBQYPB-VXGBXAGGSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972286 776207776 /nfs/dbraw/zinc/20/77/76/776207776.db2.gz UQDURXPCSBQYPB-VXGBXAGGSA-N 2 2 312.414 -1.374 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099985466 776215376 /nfs/dbraw/zinc/21/53/76/776215376.db2.gz COCZXGCJFISSPJ-ZJUUUORDSA-N 2 2 315.374 -2.316 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099985466 776215380 /nfs/dbraw/zinc/21/53/80/776215380.db2.gz COCZXGCJFISSPJ-ZJUUUORDSA-N 2 2 315.374 -2.316 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052323 776237366 /nfs/dbraw/zinc/23/73/66/776237366.db2.gz HQYFWZAKRDTWPJ-GRYCIOLGSA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052323 776237369 /nfs/dbraw/zinc/23/73/69/776237369.db2.gz HQYFWZAKRDTWPJ-GRYCIOLGSA-N 2 2 323.401 -1.475 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410692 776281392 /nfs/dbraw/zinc/28/13/92/776281392.db2.gz TXIMNKWKBSRHAL-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410692 776281408 /nfs/dbraw/zinc/28/14/08/776281408.db2.gz TXIMNKWKBSRHAL-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108410692 776281415 /nfs/dbraw/zinc/28/14/15/776281415.db2.gz TXIMNKWKBSRHAL-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108410692 776281425 /nfs/dbraw/zinc/28/14/25/776281425.db2.gz TXIMNKWKBSRHAL-DZGCQCFKSA-N 2 2 315.414 -1.094 20 0 DAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001169067018 776284800 /nfs/dbraw/zinc/28/48/00/776284800.db2.gz LETIBAOFCKUIMJ-LLVKDONJSA-N 3 2 303.370 -1.066 20 0 DAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001169122577 776286356 /nfs/dbraw/zinc/28/63/56/776286356.db2.gz AQKCIFVNKCLDJG-RTCCRHLQSA-N 2 2 311.386 -2.081 20 0 DAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001169122577 776286360 /nfs/dbraw/zinc/28/63/60/776286360.db2.gz AQKCIFVNKCLDJG-RTCCRHLQSA-N 2 2 311.386 -2.081 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001169204082 776286673 /nfs/dbraw/zinc/28/66/73/776286673.db2.gz HDICLMAXYAVWBR-UHFFFAOYSA-N 2 2 322.369 -1.994 20 0 DAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CC1 ZINC001108551964 776302694 /nfs/dbraw/zinc/30/26/94/776302694.db2.gz GWCLXCXHNWOXCL-IUODEOHRSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C1CC1 ZINC001108551963 776302789 /nfs/dbraw/zinc/30/27/89/776302789.db2.gz GWCLXCXHNWOXCL-DOMZBBRYSA-N 2 2 324.425 -1.280 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)[NH+](C)C ZINC001108577180 776306905 /nfs/dbraw/zinc/30/69/05/776306905.db2.gz JLCOCPMBPKQENA-YPMHNXCESA-N 2 2 312.414 -1.280 20 0 DAADLP Cn1cc(C[NH2+]CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)nn1 ZINC001129387475 776331572 /nfs/dbraw/zinc/33/15/72/776331572.db2.gz VDXXJKDKZHTBQM-ZDUSSCGKSA-N 2 2 320.401 -1.152 20 0 DAADLP Cn1cc(C[NH2+]CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)nn1 ZINC001129387465 776331699 /nfs/dbraw/zinc/33/16/99/776331699.db2.gz VDXXJKDKZHTBQM-CYBMUJFWSA-N 2 2 320.401 -1.152 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090431783 776345854 /nfs/dbraw/zinc/34/58/54/776345854.db2.gz CUIJRIXKJXQLPS-CHWSQXEVSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090431783 776345859 /nfs/dbraw/zinc/34/58/59/776345859.db2.gz CUIJRIXKJXQLPS-CHWSQXEVSA-N 2 2 323.397 -1.169 20 0 DAADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007355 776388274 /nfs/dbraw/zinc/38/82/74/776388274.db2.gz PXGGFERAWCCLIT-HZSPNIEDSA-N 2 2 315.414 -1.143 20 0 DAADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007355 776388282 /nfs/dbraw/zinc/38/82/82/776388282.db2.gz PXGGFERAWCCLIT-HZSPNIEDSA-N 2 2 315.414 -1.143 20 0 DAADLP COC[C@@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432055 776407068 /nfs/dbraw/zinc/40/70/68/776407068.db2.gz IPRCFZAMSZMRGE-AWEZNQCLSA-N 2 2 315.414 -1.140 20 0 DAADLP C[NH+](C)CCOCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113545646 776412849 /nfs/dbraw/zinc/41/28/49/776412849.db2.gz ZSGZPUBXWQTPFO-UHFFFAOYSA-N 2 2 303.403 -1.282 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001114091517 776447089 /nfs/dbraw/zinc/44/70/89/776447089.db2.gz YJVPPDIUVITZJM-RQJABVFESA-N 2 2 313.398 -1.628 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001114091517 776447092 /nfs/dbraw/zinc/44/70/92/776447092.db2.gz YJVPPDIUVITZJM-RQJABVFESA-N 2 2 313.398 -1.628 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001114091517 776447096 /nfs/dbraw/zinc/44/70/96/776447096.db2.gz YJVPPDIUVITZJM-RQJABVFESA-N 2 2 313.398 -1.628 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001114091517 776447100 /nfs/dbraw/zinc/44/71/00/776447100.db2.gz YJVPPDIUVITZJM-RQJABVFESA-N 2 2 313.398 -1.628 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093802 776449291 /nfs/dbraw/zinc/44/92/91/776449291.db2.gz VTSGORFUNYRJDH-COMQUAJESA-N 2 2 324.425 -1.158 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093802 776449301 /nfs/dbraw/zinc/44/93/01/776449301.db2.gz VTSGORFUNYRJDH-COMQUAJESA-N 2 2 324.425 -1.158 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114093802 776449306 /nfs/dbraw/zinc/44/93/06/776449306.db2.gz VTSGORFUNYRJDH-COMQUAJESA-N 2 2 324.425 -1.158 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114093802 776449312 /nfs/dbraw/zinc/44/93/12/776449312.db2.gz VTSGORFUNYRJDH-COMQUAJESA-N 2 2 324.425 -1.158 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(N)=O)c[nH+]1 ZINC001130165095 776495987 /nfs/dbraw/zinc/49/59/87/776495987.db2.gz MQZDYKQJMOMLLB-UHFFFAOYSA-N 2 2 310.358 -1.173 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405175 776508649 /nfs/dbraw/zinc/50/86/49/776508649.db2.gz YRLXKYIENXAXSS-VIFPVBQESA-N 2 2 308.342 -1.654 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477166 776511037 /nfs/dbraw/zinc/51/10/37/776511037.db2.gz BXMFBCSOASZUEY-QWRGUYRKSA-N 2 2 319.365 -1.044 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)NC(N)=O ZINC001130487928 776512394 /nfs/dbraw/zinc/51/23/94/776512394.db2.gz LFKORDOSOHUQBU-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)NC(N)=O ZINC001130484207 776513158 /nfs/dbraw/zinc/51/31/58/776513158.db2.gz HODZUTVPRKJNMN-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488579 776514441 /nfs/dbraw/zinc/51/44/41/776514441.db2.gz RTTMZMIBBUDGNS-JTQLQIEISA-N 2 2 322.369 -1.393 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488706 776515094 /nfs/dbraw/zinc/51/50/94/776515094.db2.gz UZLXCMDQUSPQOM-VIFPVBQESA-N 2 2 308.342 -1.654 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001157999477 776517894 /nfs/dbraw/zinc/51/78/94/776517894.db2.gz ROTYESJPOIQMAW-SMDDNHRTSA-N 2 2 310.354 -1.142 20 0 DAADLP CC(C)(C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001090489497 776524173 /nfs/dbraw/zinc/52/41/73/776524173.db2.gz MYJTVDBYBVJSHV-NEPJUHHUSA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001090489497 776524182 /nfs/dbraw/zinc/52/41/82/776524182.db2.gz MYJTVDBYBVJSHV-NEPJUHHUSA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)(C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001090489499 776525069 /nfs/dbraw/zinc/52/50/69/776525069.db2.gz MYJTVDBYBVJSHV-RYUDHWBXSA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O)[NH+]1CCCC1 ZINC001090489499 776525071 /nfs/dbraw/zinc/52/50/71/776525071.db2.gz MYJTVDBYBVJSHV-RYUDHWBXSA-N 2 2 312.414 -1.103 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270255 776561691 /nfs/dbraw/zinc/56/16/91/776561691.db2.gz FXZNVKSEWRRPMJ-UHFFFAOYSA-N 2 2 304.310 -1.151 20 0 DAADLP CC[N@H+](C)CCC(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001131391469 776569208 /nfs/dbraw/zinc/56/92/08/776569208.db2.gz VJFMVDRIVFADLF-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001131391469 776569214 /nfs/dbraw/zinc/56/92/14/776569214.db2.gz VJFMVDRIVFADLF-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP CC[NH+](C)CCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131391469 776569218 /nfs/dbraw/zinc/56/92/18/776569218.db2.gz VJFMVDRIVFADLF-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP CC[NH+](C)CCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131391469 776569227 /nfs/dbraw/zinc/56/92/27/776569227.db2.gz VJFMVDRIVFADLF-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP CC[NH+](CC)CC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131388722 776569443 /nfs/dbraw/zinc/56/94/43/776569443.db2.gz UOUPXGUOXNPWMJ-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP CC[NH+](CC)CC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131388722 776569447 /nfs/dbraw/zinc/56/94/47/776569447.db2.gz UOUPXGUOXNPWMJ-UHFFFAOYSA-N 2 2 314.430 -1.029 20 0 DAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001132079565 776604631 /nfs/dbraw/zinc/60/46/31/776604631.db2.gz BIGPYKFJWNQJAJ-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132082340 776607138 /nfs/dbraw/zinc/60/71/38/776607138.db2.gz LPXWAKMTGCPPMM-UHFFFAOYSA-N 2 2 308.342 -1.469 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255533 776662841 /nfs/dbraw/zinc/66/28/41/776662841.db2.gz RBSRZCROOHGUHK-CABZTGNLSA-N 2 2 324.385 -1.703 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255534 776663196 /nfs/dbraw/zinc/66/31/96/776663196.db2.gz RBSRZCROOHGUHK-SKDRFNHKSA-N 2 2 324.385 -1.703 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001133254477 776663811 /nfs/dbraw/zinc/66/38/11/776663811.db2.gz BYXUQMUEQBDCOK-NEPJUHHUSA-N 2 2 322.369 -1.949 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NC(N)=O ZINC001134046191 776688244 /nfs/dbraw/zinc/68/82/44/776688244.db2.gz UHZSHDCYUNUSLA-OPRDCNLKSA-N 2 2 322.369 -1.187 20 0 DAADLP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134393212 776702406 /nfs/dbraw/zinc/70/24/06/776702406.db2.gz MFKJYZGPTWYBNI-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001134396619 776702837 /nfs/dbraw/zinc/70/28/37/776702837.db2.gz BDGBIAKJBQJLAJ-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001134397508 776703283 /nfs/dbraw/zinc/70/32/83/776703283.db2.gz PFPDBNOKAOCOLZ-LLVKDONJSA-N 2 2 323.353 -1.832 20 0 DAADLP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406817 776703507 /nfs/dbraw/zinc/70/35/07/776703507.db2.gz CONFPTXTDQCMTG-UHFFFAOYSA-N 2 2 310.358 -1.106 20 0 DAADLP CN1CCN(c2cc(N[C@@H]3C[NH2+]C[C@H]3CO)nc[nH+]2)CC1=O ZINC001170781327 776730468 /nfs/dbraw/zinc/73/04/68/776730468.db2.gz WVFBFZBKCDBTCM-WDEREUQCSA-N 2 2 306.370 -1.253 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757912 776768327 /nfs/dbraw/zinc/76/83/27/776768327.db2.gz UDOPYUMRGDJZGK-UHFFFAOYSA-N 2 2 303.388 -1.403 20 0 DAADLP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760577 776771444 /nfs/dbraw/zinc/77/14/44/776771444.db2.gz OIRPRHJYPLLFDM-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573498 776791060 /nfs/dbraw/zinc/79/10/60/776791060.db2.gz MWSXLWLOGKHHFY-NEPJUHHUSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573498 776791065 /nfs/dbraw/zinc/79/10/65/776791065.db2.gz MWSXLWLOGKHHFY-NEPJUHHUSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573498 776791073 /nfs/dbraw/zinc/79/10/73/776791073.db2.gz MWSXLWLOGKHHFY-NEPJUHHUSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)C1 ZINC001090573498 776791079 /nfs/dbraw/zinc/79/10/79/776791079.db2.gz MWSXLWLOGKHHFY-NEPJUHHUSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C[C@H]2O)C1 ZINC001090573500 776792076 /nfs/dbraw/zinc/79/20/76/776792076.db2.gz MWSXLWLOGKHHFY-NWDGAFQWSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C[C@H]2O)C1 ZINC001090573500 776792084 /nfs/dbraw/zinc/79/20/84/776792084.db2.gz MWSXLWLOGKHHFY-NWDGAFQWSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090573500 776792090 /nfs/dbraw/zinc/79/20/90/776792090.db2.gz MWSXLWLOGKHHFY-NWDGAFQWSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)C1 ZINC001090573500 776792094 /nfs/dbraw/zinc/79/20/94/776792094.db2.gz MWSXLWLOGKHHFY-NWDGAFQWSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090672961 776818206 /nfs/dbraw/zinc/81/82/06/776818206.db2.gz HPBIPPVBBHNXHH-OLZOCXBDSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090672961 776818215 /nfs/dbraw/zinc/81/82/15/776818215.db2.gz HPBIPPVBBHNXHH-OLZOCXBDSA-N 2 2 312.414 -1.245 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729877 776831997 /nfs/dbraw/zinc/83/19/97/776831997.db2.gz BOEHFQZYLIIBIA-NEPJUHHUSA-N 2 2 310.398 -1.620 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729877 776832001 /nfs/dbraw/zinc/83/20/01/776832001.db2.gz BOEHFQZYLIIBIA-NEPJUHHUSA-N 2 2 310.398 -1.620 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808389 776854284 /nfs/dbraw/zinc/85/42/84/776854284.db2.gz KAIAQBQWWOCYGG-NEPJUHHUSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808389 776854292 /nfs/dbraw/zinc/85/42/92/776854292.db2.gz KAIAQBQWWOCYGG-NEPJUHHUSA-N 2 2 309.370 -1.511 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818640 776856738 /nfs/dbraw/zinc/85/67/38/776856738.db2.gz WOYSGWBSRIHAHZ-ZIAGYGMSSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818640 776856748 /nfs/dbraw/zinc/85/67/48/776856748.db2.gz WOYSGWBSRIHAHZ-ZIAGYGMSSA-N 2 2 322.413 -1.038 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C)[C@@H](CO)C2)C[C@H]1CO ZINC001119821250 779513386 /nfs/dbraw/zinc/51/33/86/779513386.db2.gz NYHPLQWVOODSSG-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@H+](C)[C@@H](CO)C2)C[C@H]1CO ZINC001119821250 779513392 /nfs/dbraw/zinc/51/33/92/779513392.db2.gz NYHPLQWVOODSSG-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@H+](C)[C@H](CO)C2)C[C@@H]1CO ZINC001119821250 779513397 /nfs/dbraw/zinc/51/33/97/779513397.db2.gz NYHPLQWVOODSSG-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C)[C@H](CO)C2)C[C@@H]1CO ZINC001119821250 779513403 /nfs/dbraw/zinc/51/34/03/779513403.db2.gz NYHPLQWVOODSSG-ZOSBBBERSA-N 2 2 312.458 -1.241 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NCCCCCN1CC[NH2+]CC1 ZINC001122195982 779558046 /nfs/dbraw/zinc/55/80/46/779558046.db2.gz RGXYLBLDGJTKNS-UHFFFAOYSA-N 2 2 311.430 -1.390 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001125214700 779609611 /nfs/dbraw/zinc/60/96/11/779609611.db2.gz XGEXRMMEXRKJGH-LLVKDONJSA-N 2 2 322.369 -1.549 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001125214700 779609622 /nfs/dbraw/zinc/60/96/22/779609622.db2.gz XGEXRMMEXRKJGH-LLVKDONJSA-N 2 2 322.369 -1.549 20 0 DAADLP CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150217956 779650963 /nfs/dbraw/zinc/65/09/63/779650963.db2.gz CLJOAZBBDKGKFK-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150217956 779650965 /nfs/dbraw/zinc/65/09/65/779650965.db2.gz CLJOAZBBDKGKFK-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814273 779683516 /nfs/dbraw/zinc/68/35/16/779683516.db2.gz GTUZQMMPJDGYHR-KBPBESRZSA-N 2 2 315.414 -1.190 20 0 DAADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551077 779694609 /nfs/dbraw/zinc/69/46/09/779694609.db2.gz LJUGCMDTVLSWBB-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551077 779694610 /nfs/dbraw/zinc/69/46/10/779694610.db2.gz LJUGCMDTVLSWBB-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152551077 779694612 /nfs/dbraw/zinc/69/46/12/779694612.db2.gz LJUGCMDTVLSWBB-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152551077 779694614 /nfs/dbraw/zinc/69/46/14/779694614.db2.gz LJUGCMDTVLSWBB-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1cccnc1 ZINC001152617905 779695457 /nfs/dbraw/zinc/69/54/57/779695457.db2.gz FHXIUTJWBPDXIF-LBPRGKRZSA-N 2 2 322.369 -1.415 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC001153487959 779704937 /nfs/dbraw/zinc/70/49/37/779704937.db2.gz VUTQOMAKABXPOD-LBPRGKRZSA-N 2 2 309.370 -1.116 20 0 DAADLP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500268 779705330 /nfs/dbraw/zinc/70/53/30/779705330.db2.gz HUJJRDAFXZWYMJ-UHFFFAOYSA-N 2 2 317.415 -1.130 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001153500295 779705352 /nfs/dbraw/zinc/70/53/52/779705352.db2.gz IZNYZYZJMRUIKT-NSHDSACASA-N 2 2 323.353 -1.901 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC(=O)NC1CC1 ZINC001153500525 779705411 /nfs/dbraw/zinc/70/54/11/779705411.db2.gz NOQOQZGKTXTOKD-SNVBAGLBSA-N 2 2 322.369 -1.034 20 0 DAADLP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487518 779705431 /nfs/dbraw/zinc/70/54/31/779705431.db2.gz BIFNORLYFUXNQT-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257823 779750812 /nfs/dbraw/zinc/75/08/12/779750812.db2.gz XXNNDQTTWLEBIN-UHFFFAOYSA-N 2 2 310.358 -1.106 20 0 DAADLP Cn1cc[nH+]c1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001157421102 779754556 /nfs/dbraw/zinc/75/45/56/779754556.db2.gz CTUSSLFGSRTTGC-UHFFFAOYSA-N 2 2 303.388 -1.701 20 0 DAADLP [NH3+]C1(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC001157496781 779756112 /nfs/dbraw/zinc/75/61/12/779756112.db2.gz HBVZRCBTMMRHOE-LBPRGKRZSA-N 2 2 310.398 -1.083 20 0 DAADLP [NH3+]C1(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]CC1 ZINC001157496780 779756570 /nfs/dbraw/zinc/75/65/70/779756570.db2.gz HBVZRCBTMMRHOE-GFCCVEGCSA-N 2 2 310.398 -1.083 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862214 779760217 /nfs/dbraw/zinc/76/02/17/779760217.db2.gz CDPCLVSQVXOKHJ-LBPRGKRZSA-N 2 2 323.397 -1.903 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001158005724 779763718 /nfs/dbraw/zinc/76/37/18/779763718.db2.gz CHQRZCDDQCEBIA-FVCCEPFGSA-N 2 2 311.382 -1.026 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001157999760 779763738 /nfs/dbraw/zinc/76/37/38/779763738.db2.gz UFRLAFBZIOMUNH-WCQYABFASA-N 2 2 321.381 -1.034 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157998810 779763816 /nfs/dbraw/zinc/76/38/16/779763816.db2.gz IDEIBGCSPDFFQN-LALPHHSUSA-N 3 2 310.398 -1.451 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC001158005687 779764001 /nfs/dbraw/zinc/76/40/01/779764001.db2.gz BIWCWXYKYFENDL-LPEHRKFASA-N 2 2 300.359 -1.798 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC001158013966 779764073 /nfs/dbraw/zinc/76/40/73/779764073.db2.gz HSEYEKLJVKWUSC-LBPRGKRZSA-N 2 2 307.354 -1.037 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001158007761 779764131 /nfs/dbraw/zinc/76/41/31/779764131.db2.gz VOFBVOAXORZTNY-GUBZILKMSA-N 2 2 316.358 -2.826 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC001157998983 779764284 /nfs/dbraw/zinc/76/42/84/779764284.db2.gz LRQUUVXWOUMRLM-UWVGGRQHSA-N 2 2 301.343 -1.370 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCNC(N)=O ZINC001157998501 779764769 /nfs/dbraw/zinc/76/47/69/779764769.db2.gz GMURXNNJURBTPD-UWVGGRQHSA-N 2 2 315.374 -1.874 20 0 DAADLP [NH3+]Cc1nnnn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001158077494 779766091 /nfs/dbraw/zinc/76/60/91/779766091.db2.gz SGBQPJLMYALPFN-UHFFFAOYSA-N 2 2 303.330 -1.649 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091837 779766229 /nfs/dbraw/zinc/76/62/29/779766229.db2.gz IMKZKBRTNNQKEL-FZMZJTMJSA-N 3 2 306.370 -2.020 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109302 779766980 /nfs/dbraw/zinc/76/69/80/779766980.db2.gz ATDMIRKFPKNRIH-ISVAXAHUSA-N 2 2 320.357 -2.992 20 0 DAADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC001158101222 779767371 /nfs/dbraw/zinc/76/73/71/779767371.db2.gz HTNZYMQJZAMELV-ZETOZRRWSA-N 2 2 324.381 -1.782 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111497 779768842 /nfs/dbraw/zinc/76/88/42/779768842.db2.gz ONUQVUBQIWAHHH-IAQYHMDHSA-N 3 2 318.381 -1.782 20 0 DAADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC001158166802 779769716 /nfs/dbraw/zinc/76/97/16/779769716.db2.gz DJFXHUHFBFYXNL-FVCCEPFGSA-N 2 2 311.382 -1.026 20 0 DAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001158203487 779771322 /nfs/dbraw/zinc/77/13/22/779771322.db2.gz AJYDVXBRKJZGLR-LLVKDONJSA-N 3 2 303.370 -1.066 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277662 779772504 /nfs/dbraw/zinc/77/25/04/779772504.db2.gz REFQPQAEQIHOQT-MNOVXSKESA-N 3 2 305.386 -1.612 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260766 779772534 /nfs/dbraw/zinc/77/25/34/779772534.db2.gz GOOPATCLKPUMJB-JTQLQIEISA-N 2 2 322.369 -1.411 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277663 779772665 /nfs/dbraw/zinc/77/26/65/779772665.db2.gz REFQPQAEQIHOQT-QWRGUYRKSA-N 3 2 305.386 -1.612 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001158235441 779773062 /nfs/dbraw/zinc/77/30/62/779773062.db2.gz KITFUOVWQPWOEX-LWWSYDQCSA-N 2 2 309.366 -1.414 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326106 779774212 /nfs/dbraw/zinc/77/42/12/779774212.db2.gz GVWSGVBVVHJJAC-LBPRGKRZSA-N 2 2 321.381 -1.203 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326090 779774249 /nfs/dbraw/zinc/77/42/49/779774249.db2.gz GPUREFCDWFOPCC-LLVKDONJSA-N 2 2 307.354 -1.213 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001158496193 779777065 /nfs/dbraw/zinc/77/70/65/779777065.db2.gz KXFKOABUFBCYIO-ARFNZGECSA-N 3 2 322.409 -1.312 20 0 DAADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001158605354 779777762 /nfs/dbraw/zinc/77/77/62/779777762.db2.gz WVCHMKAEHJHUNL-AWEZNQCLSA-N 3 2 313.446 -1.473 20 0 DAADLP O=C(N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158535567 779778325 /nfs/dbraw/zinc/77/83/25/779778325.db2.gz XNBICDIOIYTWIS-HGYYMRRCSA-N 3 2 306.410 -1.083 20 0 DAADLP C[C@@H]([NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734882 779779428 /nfs/dbraw/zinc/77/94/28/779779428.db2.gz HGZYZEQMHFEHAW-SSDOTTSWSA-N 2 2 302.356 -1.044 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968040 779782138 /nfs/dbraw/zinc/78/21/38/779782138.db2.gz KJRQYOFIHPSHDK-RVMXOQNASA-N 2 2 318.381 -1.561 20 0 DAADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001159084857 779787082 /nfs/dbraw/zinc/78/70/82/779787082.db2.gz MXSQUKCHRWLEIB-LPTSXCQYSA-N 2 2 318.381 -1.185 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160484800 779807714 /nfs/dbraw/zinc/80/77/14/779807714.db2.gz DWQIDFRLNDPKEN-XJKSGUPXSA-N 2 2 323.441 -1.393 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160484799 779808033 /nfs/dbraw/zinc/80/80/33/779808033.db2.gz DWQIDFRLNDPKEN-CZUORRHYSA-N 2 2 323.441 -1.393 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001160484880 779808555 /nfs/dbraw/zinc/80/85/55/779808555.db2.gz IFLSUHYLCOUSBN-STQMWFEESA-N 2 2 309.414 -1.558 20 0 DAADLP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160492043 779808621 /nfs/dbraw/zinc/80/86/21/779808621.db2.gz CPVVSOATBHOJQD-VEVYYDQMSA-N 2 2 317.367 -1.708 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160485121 779808650 /nfs/dbraw/zinc/80/86/50/779808650.db2.gz RDDVWWLZQSSNSE-IOASZLSFSA-N 2 2 323.441 -1.123 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160507247 779809579 /nfs/dbraw/zinc/80/95/79/779809579.db2.gz VSWIYUODEHURBH-RWMBFGLXSA-N 2 2 310.398 -1.227 20 0 DAADLP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001160584769 779811383 /nfs/dbraw/zinc/81/13/83/779811383.db2.gz GHHSETFBMSZFPB-RYUDHWBXSA-N 2 2 318.443 -1.746 20 0 DAADLP O=C(N1CCc2[nH]c(=O)[nH]c(=O)c2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160640558 779813037 /nfs/dbraw/zinc/81/30/37/779813037.db2.gz HKTZHZOLYIADGB-XLKFXECMSA-N 2 2 305.338 -1.276 20 0 DAADLP CS(=O)(=O)NC1CN(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001160661821 779815457 /nfs/dbraw/zinc/81/54/57/779815457.db2.gz RTBNICFTGYDPKN-LLVKDONJSA-N 2 2 319.431 -2.503 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160658227 779815703 /nfs/dbraw/zinc/81/57/03/779815703.db2.gz RASBMBPGOFADCC-JTQLQIEISA-N 2 2 301.372 -1.950 20 0 DAADLP CN(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CCS(=O)(=O)CC1 ZINC001160718582 779817207 /nfs/dbraw/zinc/81/72/07/779817207.db2.gz MARIQDXAEUHIAW-ZWNOBZJWSA-N 2 2 301.412 -1.027 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716618 779817379 /nfs/dbraw/zinc/81/73/79/779817379.db2.gz RPNKVNNWBPXNBU-SDDRHHMPSA-N 2 2 320.393 -1.018 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772676 779818370 /nfs/dbraw/zinc/81/83/70/779818370.db2.gz VFVYYLWAWHLAPE-LLVKDONJSA-N 2 2 307.354 -1.213 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790367 779818871 /nfs/dbraw/zinc/81/88/71/779818871.db2.gz OGNDAZOROFVPCJ-NEPJUHHUSA-N 2 2 307.354 -1.641 20 0 DAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]1C2 ZINC001160794907 779820055 /nfs/dbraw/zinc/82/00/55/779820055.db2.gz ROYJFTSHXACWOU-TXACCCEWSA-N 3 2 322.409 -1.467 20 0 DAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@H]1C2 ZINC001160797683 779820306 /nfs/dbraw/zinc/82/03/06/779820306.db2.gz ROYJFTSHXACWOU-RQXQIDNZSA-N 3 2 322.409 -1.467 20 0 DAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCN1C ZINC001160871081 779821257 /nfs/dbraw/zinc/82/12/57/779821257.db2.gz QOPOCCVGRBROHE-NWDGAFQWSA-N 2 2 309.370 -1.395 20 0 DAADLP COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)ncn1 ZINC001161093396 779826773 /nfs/dbraw/zinc/82/67/73/779826773.db2.gz MZWGITUHGZTXOD-MNOVXSKESA-N 2 2 306.370 -1.177 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001161138531 779827521 /nfs/dbraw/zinc/82/75/21/779827521.db2.gz UVBACQYDALKXQF-ABAIWWIYSA-N 3 2 310.398 -1.037 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001161139608 779827741 /nfs/dbraw/zinc/82/77/41/779827741.db2.gz YONZBYMVVNRLAQ-UBJUHAIHSA-N 2 2 302.331 -3.087 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161139640 779828398 /nfs/dbraw/zinc/82/83/98/779828398.db2.gz ZMDRLYSLVHATHE-FZMZJTMJSA-N 3 2 313.402 -2.160 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001161137937 779828642 /nfs/dbraw/zinc/82/86/42/779828642.db2.gz IMFRLUFGTKFUDL-MEBBXXQBSA-N 2 2 324.381 -1.795 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C1 ZINC001161137724 779828788 /nfs/dbraw/zinc/82/87/88/779828788.db2.gz GLFLLJUYCJLZRX-BHDSKKPTSA-N 2 2 312.370 -1.573 20 0 DAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001161239179 779830210 /nfs/dbraw/zinc/83/02/10/779830210.db2.gz XRQMRDDWSRYGDP-NXEZZACHSA-N 2 2 315.374 -1.922 20 0 DAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001161239179 779830211 /nfs/dbraw/zinc/83/02/11/779830211.db2.gz XRQMRDDWSRYGDP-NXEZZACHSA-N 2 2 315.374 -1.922 20 0 DAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001161238682 779830741 /nfs/dbraw/zinc/83/07/41/779830741.db2.gz VMHRYLSJGDPDHF-LPEHRKFASA-N 2 2 316.358 -2.874 20 0 DAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001161238682 779830743 /nfs/dbraw/zinc/83/07/43/779830743.db2.gz VMHRYLSJGDPDHF-LPEHRKFASA-N 2 2 316.358 -2.874 20 0 DAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238280 779831013 /nfs/dbraw/zinc/83/10/13/779831013.db2.gz SFSCJSFJPXGUSI-QWRGUYRKSA-N 2 2 312.370 -1.748 20 0 DAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238280 779831017 /nfs/dbraw/zinc/83/10/17/779831017.db2.gz SFSCJSFJPXGUSI-QWRGUYRKSA-N 2 2 312.370 -1.748 20 0 DAADLP COC(=O)[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCN1C(C)=O ZINC001161296686 779833490 /nfs/dbraw/zinc/83/34/90/779833490.db2.gz SYXLVWVEHSMKGK-BLTAXRJOSA-N 2 2 324.381 -1.560 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCN1C(C)=O ZINC001161295160 779834177 /nfs/dbraw/zinc/83/41/77/779834177.db2.gz HBZRSNVIPDPTOK-RYUDHWBXSA-N 2 2 323.353 -1.488 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161310604 779834438 /nfs/dbraw/zinc/83/44/38/779834438.db2.gz WBNZQPRIOHJBHT-JTQLQIEISA-N 2 2 322.369 -1.264 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCN1C(C)=O ZINC001161296687 779834795 /nfs/dbraw/zinc/83/47/95/779834795.db2.gz SYXLVWVEHSMKGK-FJJYHAOUSA-N 2 2 324.381 -1.560 20 0 DAADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC001161376550 779834863 /nfs/dbraw/zinc/83/48/63/779834863.db2.gz AOWFYNZDSXKZPC-ZDUSSCGKSA-N 3 2 309.414 -1.558 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382124 779835218 /nfs/dbraw/zinc/83/52/18/779835218.db2.gz SGGCXKKUORPZTE-QWRGUYRKSA-N 2 2 309.374 -1.607 20 0 DAADLP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@H]1CCC[NH2+]C1 ZINC001161443601 779837478 /nfs/dbraw/zinc/83/74/78/779837478.db2.gz ZGMADGHVIRDJSU-QWRGUYRKSA-N 3 2 310.406 -1.788 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001161477444 779838153 /nfs/dbraw/zinc/83/81/53/779838153.db2.gz IHSMNGPPKRVUKI-RISCZKNCSA-N 3 2 310.398 -1.179 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001161478654 779838466 /nfs/dbraw/zinc/83/84/66/779838466.db2.gz NGXVKZIURXRXAG-MPTQWLOMSA-N 3 2 322.409 -1.309 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001161477445 779838927 /nfs/dbraw/zinc/83/89/27/779838927.db2.gz IHSMNGPPKRVUKI-SMDDNHRTSA-N 3 2 310.398 -1.179 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001161478746 779839012 /nfs/dbraw/zinc/83/90/12/779839012.db2.gz NXDWAROVEZWPIJ-WKIHFJMMSA-N 3 2 322.409 -1.310 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001161478739 779839038 /nfs/dbraw/zinc/83/90/38/779839038.db2.gz NXDWAROVEZWPIJ-CQUYNDQOSA-N 3 2 322.409 -1.310 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001161477443 779839114 /nfs/dbraw/zinc/83/91/14/779839114.db2.gz IHSMNGPPKRVUKI-FZMZJTMJSA-N 3 2 310.398 -1.179 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001161477465 779839270 /nfs/dbraw/zinc/83/92/70/779839270.db2.gz IVIAIXHHUZROJP-MWODSPESSA-N 2 2 323.357 -2.177 20 0 DAADLP C[NH+]1CCN(c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nn2)CC1 ZINC001162435280 779852505 /nfs/dbraw/zinc/85/25/05/779852505.db2.gz CHGCCNGGMCRKTO-MELADBBJSA-N 2 2 319.417 -2.275 20 0 DAADLP C[NH+]1CCN(c2cccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n2)CC1 ZINC001162439452 779855158 /nfs/dbraw/zinc/85/51/58/779855158.db2.gz LRXLNPVCQANTCM-SOUVJXGZSA-N 2 2 318.429 -1.670 20 0 DAADLP C[NH+]1CCN(c2nccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n2)CC1 ZINC001162443129 779856747 /nfs/dbraw/zinc/85/67/47/779856747.db2.gz FXQZLSVLMQYDPJ-AGIUHOORSA-N 2 2 319.417 -2.275 20 0 DAADLP O=C(NCCC[NH2+]CCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163006034 779862588 /nfs/dbraw/zinc/86/25/88/779862588.db2.gz KHILGKGWECMRRR-KGLIPLIRSA-N 2 2 315.414 -1.046 20 0 DAADLP C[C@@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001163599982 779868891 /nfs/dbraw/zinc/86/88/91/779868891.db2.gz ZDZVITSQTWHNBW-SNVBAGLBSA-N 2 2 310.358 -1.048 20 0 DAADLP C[NH+]1CCN(c2nccc(N3CC[NH2+][C@H](C(N)=O)C3)n2)CC1 ZINC001165072197 779881203 /nfs/dbraw/zinc/88/12/03/779881203.db2.gz NKLIPEACBZFZCP-NSHDSACASA-N 2 2 305.386 -1.508 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC(N)=O ZINC001165731562 779887121 /nfs/dbraw/zinc/88/71/21/779887121.db2.gz HBLQIJHVUQERCS-NSHDSACASA-N 2 2 310.358 -1.962 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC(N)=O ZINC001165731562 779887128 /nfs/dbraw/zinc/88/71/28/779887128.db2.gz HBLQIJHVUQERCS-NSHDSACASA-N 2 2 310.358 -1.962 20 0 DAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586215 779909858 /nfs/dbraw/zinc/90/98/58/779909858.db2.gz RROLCGBHQJBBRC-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586215 779909864 /nfs/dbraw/zinc/90/98/64/779909864.db2.gz RROLCGBHQJBBRC-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206586215 779909871 /nfs/dbraw/zinc/90/98/71/779909871.db2.gz RROLCGBHQJBBRC-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206586215 779909873 /nfs/dbraw/zinc/90/98/73/779909873.db2.gz RROLCGBHQJBBRC-GMTAPVOTSA-N 2 2 311.386 -1.288 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838393 779955734 /nfs/dbraw/zinc/95/57/34/779955734.db2.gz YCUQIPRABHHDAC-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211038384 779966052 /nfs/dbraw/zinc/96/60/52/779966052.db2.gz IRNNGDXVKIBDSM-MWLCHTKSSA-N 2 2 322.369 -1.177 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211038384 779966058 /nfs/dbraw/zinc/96/60/58/779966058.db2.gz IRNNGDXVKIBDSM-MWLCHTKSSA-N 2 2 322.369 -1.177 20 0 DAADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378358 779977167 /nfs/dbraw/zinc/97/71/67/779977167.db2.gz NGWJTZXQSSPSIU-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378358 779977173 /nfs/dbraw/zinc/97/71/73/779977173.db2.gz NGWJTZXQSSPSIU-FRRDWIJNSA-N 2 2 312.414 -1.016 20 0 DAADLP C[N@H+](CCNS(=O)(=O)N1CC[NH+](C)CC1)CCOCCO ZINC001213512815 779978579 /nfs/dbraw/zinc/97/85/79/779978579.db2.gz UUSOFOKMABCNES-UHFFFAOYSA-N 2 2 324.447 -1.991 20 0 DAADLP C[N@@H+](CCNS(=O)(=O)N1CC[NH+](C)CC1)CCOCCO ZINC001213512815 779978587 /nfs/dbraw/zinc/97/85/87/779978587.db2.gz UUSOFOKMABCNES-UHFFFAOYSA-N 2 2 324.447 -1.991 20 0 DAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863782 779984407 /nfs/dbraw/zinc/98/44/07/779984407.db2.gz SGDVGXPUUDHASO-BFHYXJOUSA-N 2 2 315.414 -1.238 20 0 DAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863782 779984414 /nfs/dbraw/zinc/98/44/14/779984414.db2.gz SGDVGXPUUDHASO-BFHYXJOUSA-N 2 2 315.414 -1.238 20 0 DAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)NC(N)=O ZINC001217009638 780016912 /nfs/dbraw/zinc/01/69/12/780016912.db2.gz CMWBNGPWMZHYFZ-OUAUKWLOSA-N 2 2 322.369 -1.097 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](OCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001217823490 780026859 /nfs/dbraw/zinc/02/68/59/780026859.db2.gz YWFAZMRTGSTQCP-OLZOCXBDSA-N 2 2 320.386 -1.085 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532679 780034005 /nfs/dbraw/zinc/03/40/05/780034005.db2.gz IHHWUJMUIBZTEZ-RITPCOANSA-N 2 2 308.371 -1.019 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581806 780035683 /nfs/dbraw/zinc/03/56/83/780035683.db2.gz KHTAEIJAYWNGTL-QWHCGFSZSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581806 780035693 /nfs/dbraw/zinc/03/56/93/780035693.db2.gz KHTAEIJAYWNGTL-QWHCGFSZSA-N 2 2 312.414 -1.062 20 0 DAADLP Nc1cn(C(=O)[C@@H]([NH3+])CC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619175 780037914 /nfs/dbraw/zinc/03/79/14/780037914.db2.gz AMHDXHVBTZXPHT-LBPRGKRZSA-N 3 2 322.413 -1.381 20 0 DAADLP N[C@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC001218668897 780038326 /nfs/dbraw/zinc/03/83/26/780038326.db2.gz KCWOYPTWHXONIN-CQSZACIVSA-N 2 2 308.386 -1.155 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218668631 780038482 /nfs/dbraw/zinc/03/84/82/780038482.db2.gz FUKWRLMMCGUIOR-OLZOCXBDSA-N 2 2 309.370 -1.266 20 0 DAADLP NS(=O)(=O)c1cncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218750336 780041781 /nfs/dbraw/zinc/04/17/81/780041781.db2.gz DPVKRUWTTXZRJB-JTQLQIEISA-N 2 2 310.339 -1.039 20 0 DAADLP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218902392 780043908 /nfs/dbraw/zinc/04/39/08/780043908.db2.gz ZQPRVKHVRHBWRV-QMMMGPOBSA-N 2 2 302.356 -1.085 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001219411413 780092657 /nfs/dbraw/zinc/09/26/57/780092657.db2.gz IPIPWECQRBCPLY-FRRDWIJNSA-N 2 2 317.386 -2.513 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001219411413 780092665 /nfs/dbraw/zinc/09/26/65/780092665.db2.gz IPIPWECQRBCPLY-FRRDWIJNSA-N 2 2 317.386 -2.513 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411413 780092670 /nfs/dbraw/zinc/09/26/70/780092670.db2.gz IPIPWECQRBCPLY-FRRDWIJNSA-N 2 2 317.386 -2.513 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411413 780092673 /nfs/dbraw/zinc/09/26/73/780092673.db2.gz IPIPWECQRBCPLY-FRRDWIJNSA-N 2 2 317.386 -2.513 20 0 DAADLP C[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)COCC[NH2+]1 ZINC001219678245 780132382 /nfs/dbraw/zinc/13/23/82/780132382.db2.gz IIRHTCBEDSSGAD-GFCCVEGCSA-N 2 2 320.415 -2.284 20 0 DAADLP CC1(C)[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CO1 ZINC001219678637 780134425 /nfs/dbraw/zinc/13/44/25/780134425.db2.gz XTPZLKOYRUAITH-JTQLQIEISA-N 2 2 320.415 -1.938 20 0 DAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CCC1=O ZINC001219678465 780134660 /nfs/dbraw/zinc/13/46/60/780134660.db2.gz PCPIGCGUSOPBSD-JTQLQIEISA-N 2 2 318.399 -2.484 20 0 DAADLP CN(C(=O)CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001219692499 780135620 /nfs/dbraw/zinc/13/56/20/780135620.db2.gz BQYXATKHGYGHFC-CYBMUJFWSA-N 2 2 311.430 -1.136 20 0 DAADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219695544 780136063 /nfs/dbraw/zinc/13/60/63/780136063.db2.gz WIFBFEGQUBXVAX-NEPJUHHUSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219695544 780136067 /nfs/dbraw/zinc/13/60/67/780136067.db2.gz WIFBFEGQUBXVAX-NEPJUHHUSA-N 2 2 300.403 -1.077 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219695844 780136240 /nfs/dbraw/zinc/13/62/40/780136240.db2.gz ZSJZMDLOXZAREF-GUBZILKMSA-N 2 2 315.374 -2.859 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219695844 780136247 /nfs/dbraw/zinc/13/62/47/780136247.db2.gz ZSJZMDLOXZAREF-GUBZILKMSA-N 2 2 315.374 -2.859 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)NC[C@H]1CC3(C[NH2+]C3)CO1)C[NH2+]C2 ZINC001219737432 780139155 /nfs/dbraw/zinc/13/91/55/780139155.db2.gz VYBDAZSZMATHAK-MNOVXSKESA-N 2 2 320.397 -1.021 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739042 780140665 /nfs/dbraw/zinc/14/06/65/780140665.db2.gz GABSUDSSXCRTKH-CHWSQXEVSA-N 3 2 311.430 -1.769 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741902 780140837 /nfs/dbraw/zinc/14/08/37/780140837.db2.gz XLZYZUMZTDLNNL-ZJUUUORDSA-N 2 2 309.374 -1.513 20 0 DAADLP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219750202 780143083 /nfs/dbraw/zinc/14/30/83/780143083.db2.gz XGVRGOXWXTWTKX-QMTHXVAHSA-N 3 2 305.386 -1.661 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771980 780146110 /nfs/dbraw/zinc/14/61/10/780146110.db2.gz VBRPHPZUFKJKAO-JSGCOSHPSA-N 3 2 301.410 -1.055 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804487 780149847 /nfs/dbraw/zinc/14/98/47/780149847.db2.gz XUYLMHNHOWDOJN-MBNYWOFBSA-N 2 2 312.414 -1.424 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804487 780149852 /nfs/dbraw/zinc/14/98/52/780149852.db2.gz XUYLMHNHOWDOJN-MBNYWOFBSA-N 2 2 312.414 -1.424 20 0 DAADLP O=C(NCc1noc2c1C[NH2+]CC2)c1nnn2c1C[NH2+]CC2 ZINC001219812865 780152666 /nfs/dbraw/zinc/15/26/66/780152666.db2.gz JZCXLBAGWODOMU-UHFFFAOYSA-N 2 2 303.326 -1.055 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833349 780153488 /nfs/dbraw/zinc/15/34/88/780153488.db2.gz CCQDRARTRBEHJU-WHOFXGATSA-N 3 2 323.397 -1.209 20 0 DAADLP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219834908 780153518 /nfs/dbraw/zinc/15/35/18/780153518.db2.gz UJZVOPBPQFGFFS-GRYWWWGRSA-N 3 2 324.425 -1.552 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001219875078 780159044 /nfs/dbraw/zinc/15/90/44/780159044.db2.gz PAJKWGCWGXCVDN-UTUOFQBUSA-N 2 2 300.403 -1.424 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001219875078 780159049 /nfs/dbraw/zinc/15/90/49/780159049.db2.gz PAJKWGCWGXCVDN-UTUOFQBUSA-N 2 2 300.403 -1.424 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001219875177 780159419 /nfs/dbraw/zinc/15/94/19/780159419.db2.gz RCTHWDSIFCEBNQ-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001219875177 780159424 /nfs/dbraw/zinc/15/94/24/780159424.db2.gz RCTHWDSIFCEBNQ-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C[NH2+]1 ZINC001219965227 780167078 /nfs/dbraw/zinc/16/70/78/780167078.db2.gz DTWCPRFVSWWGTQ-VWYCJHECSA-N 2 2 314.386 -1.504 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001219968268 780167321 /nfs/dbraw/zinc/16/73/21/780167321.db2.gz XTPWOORWPDPFLL-DBIOUOCHSA-N 2 2 313.354 -1.595 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C[NH2+]1 ZINC001219965253 780167990 /nfs/dbraw/zinc/16/79/90/780167990.db2.gz FYPGFFLLHMQUDM-VLEAKVRGSA-N 2 2 312.370 -1.656 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(=O)NC1CCCC1 ZINC001219977194 780169020 /nfs/dbraw/zinc/16/90/20/780169020.db2.gz UOURFZVUTKDDRI-CYBMUJFWSA-N 2 2 311.430 -1.088 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(=O)NC1CCCC1 ZINC001219977195 780169225 /nfs/dbraw/zinc/16/92/25/780169225.db2.gz UOURFZVUTKDDRI-ZDUSSCGKSA-N 2 2 311.430 -1.088 20 0 DAADLP C[NH+]1CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001220012720 780170365 /nfs/dbraw/zinc/17/03/65/780170365.db2.gz ARBSOJCLGVFIKA-UHFFFAOYSA-N 2 2 314.346 -4.276 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220105547 780179042 /nfs/dbraw/zinc/17/90/42/780179042.db2.gz AJHJGEDCRJLEEN-OLZOCXBDSA-N 2 2 312.370 -1.557 20 0 DAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220105547 780179044 /nfs/dbraw/zinc/17/90/44/780179044.db2.gz AJHJGEDCRJLEEN-OLZOCXBDSA-N 2 2 312.370 -1.557 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170469 780188553 /nfs/dbraw/zinc/18/85/53/780188553.db2.gz LCBUGWNPELHKNC-RYUDHWBXSA-N 2 2 310.354 -1.062 20 0 DAADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197937 780189179 /nfs/dbraw/zinc/18/91/79/780189179.db2.gz XBLILKBIQZYBQR-NSHDSACASA-N 3 2 302.444 -1.013 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189046 780189336 /nfs/dbraw/zinc/18/93/36/780189336.db2.gz KPHAWGIEBZTYET-YIZRAAEISA-N 2 2 308.329 -1.828 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197459 780189996 /nfs/dbraw/zinc/18/99/96/780189996.db2.gz DXJOGVJMYGLRNH-QWRGUYRKSA-N 2 2 314.386 -2.208 20 0 DAADLP CCOC(=O)CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220230784 780192033 /nfs/dbraw/zinc/19/20/33/780192033.db2.gz QALWNMCPTIARQO-DCAQKATOSA-N 2 2 315.370 -1.076 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220237012 780192246 /nfs/dbraw/zinc/19/22/46/780192246.db2.gz NAVPJQWVZNQNKI-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220237012 780192249 /nfs/dbraw/zinc/19/22/49/780192249.db2.gz NAVPJQWVZNQNKI-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229230 780192404 /nfs/dbraw/zinc/19/24/04/780192404.db2.gz SZWZQSDZMRWFJK-NEPJUHHUSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229230 780192410 /nfs/dbraw/zinc/19/24/10/780192410.db2.gz SZWZQSDZMRWFJK-NEPJUHHUSA-N 2 2 312.414 -1.422 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220238386 780194272 /nfs/dbraw/zinc/19/42/72/780194272.db2.gz UNUGPXVMWFFWKO-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220238386 780194276 /nfs/dbraw/zinc/19/42/76/780194276.db2.gz UNUGPXVMWFFWKO-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220268389 780198949 /nfs/dbraw/zinc/19/89/49/780198949.db2.gz GQPHWELUVXPNGG-NSHDSACASA-N 2 2 321.447 -2.256 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220275394 780198965 /nfs/dbraw/zinc/19/89/65/780198965.db2.gz WZBZHHULRYZRNN-MXWKQRLJSA-N 2 2 312.370 -2.095 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001220275394 780198969 /nfs/dbraw/zinc/19/89/69/780198969.db2.gz WZBZHHULRYZRNN-MXWKQRLJSA-N 2 2 312.370 -2.095 20 0 DAADLP COCCn1c[nH+]cc1CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220275108 780198977 /nfs/dbraw/zinc/19/89/77/780198977.db2.gz TWVYPNWSZZJPET-ONGXEEELSA-N 2 2 313.358 -2.030 20 0 DAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)O1 ZINC001220481948 780217698 /nfs/dbraw/zinc/21/76/98/780217698.db2.gz WVRBQRRDVOGCJJ-FNOROQBZSA-N 2 2 313.362 -2.090 20 0 DAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)O1 ZINC001220481582 780218597 /nfs/dbraw/zinc/21/85/97/780218597.db2.gz KTFPHMANTIBSAE-BGPZULBFSA-N 3 2 312.414 -1.221 20 0 DAADLP COCCOCCOCCOCCNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001220514787 780221107 /nfs/dbraw/zinc/22/11/07/780221107.db2.gz UYPGYOCTSRVPMG-STQMWFEESA-N 2 2 319.402 -1.512 20 0 DAADLP COCCOCCOCCOCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220514785 780221615 /nfs/dbraw/zinc/22/16/15/780221615.db2.gz UYPGYOCTSRVPMG-OLZOCXBDSA-N 2 2 319.402 -1.512 20 0 DAADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[NH2+]C1 ZINC001220521708 780223452 /nfs/dbraw/zinc/22/34/52/780223452.db2.gz LZPWAROSTLFITN-TVYUQYBPSA-N 3 2 308.382 -1.137 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220576977 780229742 /nfs/dbraw/zinc/22/97/42/780229742.db2.gz YMMQHMUSECCXPG-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220576977 780229744 /nfs/dbraw/zinc/22/97/44/780229744.db2.gz YMMQHMUSECCXPG-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220582764 780230735 /nfs/dbraw/zinc/23/07/35/780230735.db2.gz CPQSEQNPTOIHEJ-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220582764 780230743 /nfs/dbraw/zinc/23/07/43/780230743.db2.gz CPQSEQNPTOIHEJ-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585079 780231637 /nfs/dbraw/zinc/23/16/37/780231637.db2.gz WETIRFGQHLYAIT-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585079 780231645 /nfs/dbraw/zinc/23/16/45/780231645.db2.gz WETIRFGQHLYAIT-WOPDTQHZSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220682904 780238926 /nfs/dbraw/zinc/23/89/26/780238926.db2.gz GRLCKKXMFOSASX-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220682904 780238931 /nfs/dbraw/zinc/23/89/31/780238931.db2.gz GRLCKKXMFOSASX-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220682904 780238936 /nfs/dbraw/zinc/23/89/36/780238936.db2.gz GRLCKKXMFOSASX-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220682904 780238942 /nfs/dbraw/zinc/23/89/42/780238942.db2.gz GRLCKKXMFOSASX-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220723817 780240821 /nfs/dbraw/zinc/24/08/21/780240821.db2.gz CHHWZGHVNMAYIN-LLVKDONJSA-N 2 2 322.431 -1.956 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220723817 780240826 /nfs/dbraw/zinc/24/08/26/780240826.db2.gz CHHWZGHVNMAYIN-LLVKDONJSA-N 2 2 322.431 -1.956 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001220757147 780245430 /nfs/dbraw/zinc/24/54/30/780245430.db2.gz VNJRPNGARIDEEI-QWRGUYRKSA-N 2 2 304.416 -2.088 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757379 780245563 /nfs/dbraw/zinc/24/55/63/780245563.db2.gz CAYLJDGHQPXLJX-UPJWGTAASA-N 2 2 312.370 -1.869 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757379 780245570 /nfs/dbraw/zinc/24/55/70/780245570.db2.gz CAYLJDGHQPXLJX-UPJWGTAASA-N 2 2 312.370 -1.869 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001220757146 780245688 /nfs/dbraw/zinc/24/56/88/780245688.db2.gz VNJRPNGARIDEEI-MNOVXSKESA-N 2 2 304.416 -2.088 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220771867 780247106 /nfs/dbraw/zinc/24/71/06/780247106.db2.gz FGSTVHHPOQELRK-STQMWFEESA-N 3 2 323.397 -1.053 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CN1CC[NH2+]CC1 ZINC001220768981 780247660 /nfs/dbraw/zinc/24/76/60/780247660.db2.gz FXVAQWNWOISVTK-GFCCVEGCSA-N 2 2 309.370 -1.474 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220768425 780247750 /nfs/dbraw/zinc/24/77/50/780247750.db2.gz LEGLOEVYHQXPCH-WOPDTQHZSA-N 2 2 314.386 -2.386 20 0 DAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220768425 780247752 /nfs/dbraw/zinc/24/77/52/780247752.db2.gz LEGLOEVYHQXPCH-WOPDTQHZSA-N 2 2 314.386 -2.386 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220785947 780247784 /nfs/dbraw/zinc/24/77/84/780247784.db2.gz HMVZWGXDRPZRIP-NTZNESFSSA-N 2 2 316.369 -1.069 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799293 780248377 /nfs/dbraw/zinc/24/83/77/780248377.db2.gz VFHFSZUJGAZHGQ-TUAOUCFPSA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799293 780248386 /nfs/dbraw/zinc/24/83/86/780248386.db2.gz VFHFSZUJGAZHGQ-TUAOUCFPSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001220817275 780250122 /nfs/dbraw/zinc/25/01/22/780250122.db2.gz UAQROEDSUGUEIA-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001220817275 780250124 /nfs/dbraw/zinc/25/01/24/780250124.db2.gz UAQROEDSUGUEIA-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220817275 780250126 /nfs/dbraw/zinc/25/01/26/780250126.db2.gz UAQROEDSUGUEIA-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220817275 780250128 /nfs/dbraw/zinc/25/01/28/780250128.db2.gz UAQROEDSUGUEIA-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)N(O)N=O ZINC001220900228 780256730 /nfs/dbraw/zinc/25/67/30/780256730.db2.gz DUTKBPKKKATMRB-SECBINFHSA-N 3 2 300.323 -2.056 20 0 DAADLP CS(=O)(=O)N1CCC(CNC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220926311 780258158 /nfs/dbraw/zinc/25/81/58/780258158.db2.gz GRRARZFAGJLCIU-UHFFFAOYSA-N 2 2 318.443 -1.145 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220924568 780259427 /nfs/dbraw/zinc/25/94/27/780259427.db2.gz XLPJTLVKYPTCJM-AGIUHOORSA-N 2 2 303.366 -1.041 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C[NH2+]C2 ZINC001220937700 780261897 /nfs/dbraw/zinc/26/18/97/780261897.db2.gz XYDOLAIMPSKOIQ-MNOVXSKESA-N 2 2 308.386 -1.021 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220979050 780263879 /nfs/dbraw/zinc/26/38/79/780263879.db2.gz BYEMEPWGVGQALA-OLZOCXBDSA-N 2 2 312.370 -1.638 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220979050 780263889 /nfs/dbraw/zinc/26/38/89/780263889.db2.gz BYEMEPWGVGQALA-OLZOCXBDSA-N 2 2 312.370 -1.638 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220978359 780264439 /nfs/dbraw/zinc/26/44/39/780264439.db2.gz ZEXZCIBCFNYHSV-KGLIPLIRSA-N 2 2 324.425 -1.230 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220978359 780264446 /nfs/dbraw/zinc/26/44/46/780264446.db2.gz ZEXZCIBCFNYHSV-KGLIPLIRSA-N 2 2 324.425 -1.230 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979072 780264850 /nfs/dbraw/zinc/26/48/50/780264850.db2.gz DBQMGWXVHOWKCW-XQQFMLRXSA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979072 780264860 /nfs/dbraw/zinc/26/48/60/780264860.db2.gz DBQMGWXVHOWKCW-XQQFMLRXSA-N 2 2 312.370 -1.640 20 0 DAADLP COC(=O)CC[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001221018697 780270073 /nfs/dbraw/zinc/27/00/73/780270073.db2.gz ILMFBLCNXUILPO-JTQLQIEISA-N 2 2 300.359 -1.749 20 0 DAADLP COCCC1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCS(=O)(=O)CC1 ZINC001221025967 780270126 /nfs/dbraw/zinc/27/01/26/780270126.db2.gz OEFONZJDZPELTH-MNOVXSKESA-N 2 2 319.427 -1.224 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073206 780272513 /nfs/dbraw/zinc/27/25/13/780272513.db2.gz LADPHQAYKZZWCH-XQQFMLRXSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073206 780272519 /nfs/dbraw/zinc/27/25/19/780272519.db2.gz LADPHQAYKZZWCH-XQQFMLRXSA-N 2 2 312.414 -1.103 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091317 780274994 /nfs/dbraw/zinc/27/49/94/780274994.db2.gz KFQGBURKHYZEQA-TUAOUCFPSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091317 780275004 /nfs/dbraw/zinc/27/50/04/780275004.db2.gz KFQGBURKHYZEQA-TUAOUCFPSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091317 780275014 /nfs/dbraw/zinc/27/50/14/780275014.db2.gz KFQGBURKHYZEQA-TUAOUCFPSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091317 780275026 /nfs/dbraw/zinc/27/50/26/780275026.db2.gz KFQGBURKHYZEQA-TUAOUCFPSA-N 2 2 300.403 -1.378 20 0 DAADLP [NH3+][C@H](Cc1ccccc1F)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265417 780288194 /nfs/dbraw/zinc/28/81/94/780288194.db2.gz LUPTXOKQNSQCNX-YVECIDJPSA-N 2 2 308.361 -1.785 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)[C@H]2NCN[C@@H]21 ZINC001221265404 780288560 /nfs/dbraw/zinc/28/85/60/780288560.db2.gz LKNSNAJNEAGVNS-JDDHQFAOSA-N 2 2 322.335 -1.564 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)[C@H]2NCN[C@H]21 ZINC001221265406 780288686 /nfs/dbraw/zinc/28/86/86/780288686.db2.gz LKNSNAJNEAGVNS-SOYHJAILSA-N 2 2 322.335 -1.564 20 0 DAADLP O=C(NCCN1CCCS1(=O)=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221335508 780291144 /nfs/dbraw/zinc/29/11/44/780291144.db2.gz HMYPXUUUSCRZET-JQWIXIFHSA-N 2 2 302.400 -1.910 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221400266 780291592 /nfs/dbraw/zinc/29/15/92/780291592.db2.gz OKMWLUDEXQSDQJ-RYUDHWBXSA-N 2 2 301.354 -1.100 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337386 780292260 /nfs/dbraw/zinc/29/22/60/780292260.db2.gz PWDXBZJILZDHHG-JTQLQIEISA-N 2 2 301.372 -1.569 20 0 DAADLP NC1=CC=C(C2CCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC2)[NH2+]C1 ZINC001221391907 780292970 /nfs/dbraw/zinc/29/29/70/780292970.db2.gz PSELOOQOKCPZDQ-NSHDSACASA-N 2 2 318.385 -1.362 20 0 DAADLP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1 ZINC001221407351 780294466 /nfs/dbraw/zinc/29/44/66/780294466.db2.gz YAZIVFIUEDOCPW-WDEREUQCSA-N 2 2 305.342 -1.106 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221789491 780302964 /nfs/dbraw/zinc/30/29/64/780302964.db2.gz ZJFMIGOUMXHJSZ-GHMZBOCLSA-N 2 2 311.386 -1.334 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221789491 780302971 /nfs/dbraw/zinc/30/29/71/780302971.db2.gz ZJFMIGOUMXHJSZ-GHMZBOCLSA-N 2 2 311.386 -1.334 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946770 780305045 /nfs/dbraw/zinc/30/50/45/780305045.db2.gz BHGLYOFNBZIQDA-CHWSQXEVSA-N 2 2 312.414 -1.157 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946770 780305051 /nfs/dbraw/zinc/30/50/51/780305051.db2.gz BHGLYOFNBZIQDA-CHWSQXEVSA-N 2 2 312.414 -1.157 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001226723565 780335877 /nfs/dbraw/zinc/33/58/77/780335877.db2.gz VYGZJDLHONRJLQ-AWEZNQCLSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCOCCO)CC2)C1 ZINC001226723565 780335886 /nfs/dbraw/zinc/33/58/86/780335886.db2.gz VYGZJDLHONRJLQ-AWEZNQCLSA-N 2 2 315.414 -1.094 20 0 DAADLP Cn1cc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(=O)n(C)c1=O ZINC001231771056 780386101 /nfs/dbraw/zinc/38/61/01/780386101.db2.gz GDTVGFSVUZYWPC-UHFFFAOYSA-N 2 2 307.398 -1.484 20 0 DAADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)O1 ZINC001235051643 780415244 /nfs/dbraw/zinc/41/52/44/780415244.db2.gz KQKMUIGJBGNCES-QVHKTLOISA-N 2 2 315.414 -1.503 20 0 DAADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)O1 ZINC001235051643 780415249 /nfs/dbraw/zinc/41/52/49/780415249.db2.gz KQKMUIGJBGNCES-QVHKTLOISA-N 2 2 315.414 -1.503 20 0 DAADLP NC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)CCN1 ZINC001235760449 780419057 /nfs/dbraw/zinc/41/90/57/780419057.db2.gz PTJCNTJRWXWXBN-ZDUSSCGKSA-N 2 2 304.398 -1.250 20 0 DAADLP NC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)nc2)CCN1 ZINC001235760445 780419169 /nfs/dbraw/zinc/41/91/69/780419169.db2.gz PTJCNTJRWXWXBN-CYBMUJFWSA-N 2 2 304.398 -1.250 20 0 DAADLP O=S(=O)(Nc1nccnc1N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001237494504 780428978 /nfs/dbraw/zinc/42/89/78/780428978.db2.gz RTGPVIOIPOLGDV-JTQLQIEISA-N 2 2 312.399 -1.010 20 0 DAADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001238839926 780439924 /nfs/dbraw/zinc/43/99/24/780439924.db2.gz WORHDKZFKUSNOG-UHFFFAOYSA-N 2 2 311.371 -1.307 20 0 DAADLP CCOC(=O)CNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286672 780443766 /nfs/dbraw/zinc/44/37/66/780443766.db2.gz NRZKXXOMHAGOIT-UHFFFAOYSA-N 2 2 301.391 -1.657 20 0 DAADLP C[NH+](C)CCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439751 780444734 /nfs/dbraw/zinc/44/47/34/780444734.db2.gz VVDYLUOGPKZPEB-UHFFFAOYSA-N 3 2 302.492 -1.493 20 0 DAADLP O[C@@H](C[NH2+]Cc1nnc2n1CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245988810 780448160 /nfs/dbraw/zinc/44/81/60/780448160.db2.gz WSWJPWJJJSLFLR-GFCCVEGCSA-N 3 2 324.429 -1.274 20 0 DAADLP COC(=O)C1([NH3+])CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246046378 780449662 /nfs/dbraw/zinc/44/96/62/780449662.db2.gz QXQRNIRTMYANKP-LBPRGKRZSA-N 2 2 315.414 -1.182 20 0 DAADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246303583 780452621 /nfs/dbraw/zinc/45/26/21/780452621.db2.gz HAJWWXCLZCNTLG-MNOVXSKESA-N 2 2 314.386 -1.488 20 0 DAADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCNC(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246635235 780455729 /nfs/dbraw/zinc/45/57/29/780455729.db2.gz JGZVFSLDIGYHOM-QWRGUYRKSA-N 2 2 310.398 -1.168 20 0 DAADLP C[C@@H]1CC[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C[NH2+]1 ZINC001246522392 780455932 /nfs/dbraw/zinc/45/59/32/780455932.db2.gz CIIPMTKXBIPVLC-DSAGSKJYSA-N 2 2 304.387 -1.439 20 0 DAADLP COC(=O)C1C[C@@H]2CC([N@H+]3CCN[C@H](C(N)=O)C3)C[C@H](C1)[NH2+]2 ZINC001246797221 780457094 /nfs/dbraw/zinc/45/70/94/780457094.db2.gz NAKQNSAIAUWYEU-ZYLJPLBTSA-N 2 2 310.398 -1.182 20 0 DAADLP OCC(CO)(CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252944645 780475363 /nfs/dbraw/zinc/47/53/63/780475363.db2.gz SSUKUMZZMHYBET-INIZCTEOSA-N 2 2 310.394 -1.071 20 0 DAADLP OCC(CO)(CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944645 780475367 /nfs/dbraw/zinc/47/53/67/780475367.db2.gz SSUKUMZZMHYBET-INIZCTEOSA-N 2 2 310.394 -1.071 20 0 DAADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001255948585 780504571 /nfs/dbraw/zinc/50/45/71/780504571.db2.gz NVQKQZYPDAXRRU-UQPQVDFHSA-N 2 2 306.403 -1.504 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258413004 780521601 /nfs/dbraw/zinc/52/16/01/780521601.db2.gz CZDCVNMMTUPWLO-ZDUSSCGKSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258413004 780521608 /nfs/dbraw/zinc/52/16/08/780521608.db2.gz CZDCVNMMTUPWLO-ZDUSSCGKSA-N 2 2 324.425 -1.278 20 0 DAADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001261819170 780558426 /nfs/dbraw/zinc/55/84/26/780558426.db2.gz RRTFYEFGGJCRDS-LBPRGKRZSA-N 2 2 309.370 -1.116 20 0 DAADLP CN1C(=O)[C@H]2CN(C(=O)NCC[NH+]3CCC([NH3+])CC3)C[C@H]2C1=O ZINC001262592104 780575734 /nfs/dbraw/zinc/57/57/34/780575734.db2.gz HGJCFMJWUKZKKE-TXEJJXNPSA-N 2 2 323.397 -1.334 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOCCO ZINC001264694642 780588808 /nfs/dbraw/zinc/58/88/08/780588808.db2.gz IHFPLRHRAPXEKS-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOCCO ZINC001264694642 780588813 /nfs/dbraw/zinc/58/88/13/780588813.db2.gz IHFPLRHRAPXEKS-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOCCO ZINC001264694642 780588821 /nfs/dbraw/zinc/58/88/21/780588821.db2.gz IHFPLRHRAPXEKS-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOCCO ZINC001264694642 780588825 /nfs/dbraw/zinc/58/88/25/780588825.db2.gz IHFPLRHRAPXEKS-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001283116739 780743895 /nfs/dbraw/zinc/74/38/95/780743895.db2.gz NBDQELDCGMUZGH-UHFFFAOYSA-N 2 2 323.397 -1.083 20 0 DAADLP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001284869801 780841448 /nfs/dbraw/zinc/84/14/48/780841448.db2.gz FCHNTJIHRAFSAH-GFCCVEGCSA-N 2 2 323.397 -1.005 20 0 DAADLP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871698 781458677 /nfs/dbraw/zinc/45/86/77/781458677.db2.gz INURNVZPMWEIJS-UHFFFAOYSA-N 2 2 324.385 -1.096 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877951 781460306 /nfs/dbraw/zinc/46/03/06/781460306.db2.gz QGYGNIQWJFBPIJ-UHFFFAOYSA-N 2 2 317.415 -1.392 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001147914655 781460931 /nfs/dbraw/zinc/46/09/31/781460931.db2.gz FDSJLEVXIPTRKD-UHFFFAOYSA-N 2 2 307.354 -1.183 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147908200 781461724 /nfs/dbraw/zinc/46/17/24/781461724.db2.gz OUVQCNOVTOKGGF-VIFPVBQESA-N 2 2 310.358 -1.488 20 0 DAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001099899315 781484616 /nfs/dbraw/zinc/48/46/16/781484616.db2.gz QOEKQZJLGJACPH-QWRGUYRKSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001099899315 781484619 /nfs/dbraw/zinc/48/46/19/781484619.db2.gz QOEKQZJLGJACPH-QWRGUYRKSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099899315 781484621 /nfs/dbraw/zinc/48/46/21/781484621.db2.gz QOEKQZJLGJACPH-QWRGUYRKSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099899315 781484626 /nfs/dbraw/zinc/48/46/26/781484626.db2.gz QOEKQZJLGJACPH-QWRGUYRKSA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)O1 ZINC001091782918 781486684 /nfs/dbraw/zinc/48/66/84/781486684.db2.gz LUBQORACSBZIPD-JXFSHQFZSA-N 2 2 324.425 -1.029 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)O1 ZINC001091782918 781486696 /nfs/dbraw/zinc/48/66/96/781486696.db2.gz LUBQORACSBZIPD-JXFSHQFZSA-N 2 2 324.425 -1.029 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)O1 ZINC001091782918 781486703 /nfs/dbraw/zinc/48/67/03/781486703.db2.gz LUBQORACSBZIPD-JXFSHQFZSA-N 2 2 324.425 -1.029 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)O1 ZINC001091782918 781486708 /nfs/dbraw/zinc/48/67/08/781486708.db2.gz LUBQORACSBZIPD-JXFSHQFZSA-N 2 2 324.425 -1.029 20 0 DAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315909 781539765 /nfs/dbraw/zinc/53/97/65/781539765.db2.gz COOUGYFWDLPWEH-SMDDNHRTSA-N 2 2 322.413 -1.059 20 0 DAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001094315909 781539771 /nfs/dbraw/zinc/53/97/71/781539771.db2.gz COOUGYFWDLPWEH-SMDDNHRTSA-N 2 2 322.413 -1.059 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714511 781552620 /nfs/dbraw/zinc/55/26/20/781552620.db2.gz XVDHJPHAGYPVJS-YPMHNXCESA-N 2 2 310.398 -1.526 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714511 781552624 /nfs/dbraw/zinc/55/26/24/781552624.db2.gz XVDHJPHAGYPVJS-YPMHNXCESA-N 2 2 310.398 -1.526 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713843 781552788 /nfs/dbraw/zinc/55/27/88/781552788.db2.gz JVOITRADMBXGNL-TZMCWYRMSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713843 781552792 /nfs/dbraw/zinc/55/27/92/781552792.db2.gz JVOITRADMBXGNL-TZMCWYRMSA-N 2 2 324.425 -1.136 20 0 DAADLP COCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094814805 781579760 /nfs/dbraw/zinc/57/97/60/781579760.db2.gz JFVWLQSUTHXBAF-OLZOCXBDSA-N 2 2 324.425 -1.014 20 0 DAADLP COCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814805 781579764 /nfs/dbraw/zinc/57/97/64/781579764.db2.gz JFVWLQSUTHXBAF-OLZOCXBDSA-N 2 2 324.425 -1.014 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094816694 781582578 /nfs/dbraw/zinc/58/25/78/781582578.db2.gz FJFGRVNGKPYDNE-ZDUSSCGKSA-N 2 2 324.425 -1.134 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076164 781587823 /nfs/dbraw/zinc/58/78/23/781587823.db2.gz KFUSZADDWXLTHL-UHFFFAOYSA-N 2 2 308.342 -1.341 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001175003591 781602483 /nfs/dbraw/zinc/60/24/83/781602483.db2.gz UIGSMVARSQHYDX-UHFFFAOYSA-N 2 2 310.358 -1.357 20 0 DAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001176385386 781617961 /nfs/dbraw/zinc/61/79/61/781617961.db2.gz QCFNHGOUNIMSHJ-LLVKDONJSA-N 2 2 303.326 -1.068 20 0 DAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001176385386 781617968 /nfs/dbraw/zinc/61/79/68/781617968.db2.gz QCFNHGOUNIMSHJ-LLVKDONJSA-N 2 2 303.326 -1.068 20 0 DAADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676984 781621941 /nfs/dbraw/zinc/62/19/41/781621941.db2.gz ZYTJRPNHOKFGDZ-AWEZNQCLSA-N 2 2 312.414 -1.061 20 0 DAADLP O=C(C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)NC(=O)NC1CC1 ZINC001177401204 781634816 /nfs/dbraw/zinc/63/48/16/781634816.db2.gz SHPMUBXVKAWRAG-UHFFFAOYSA-N 2 2 322.369 -1.033 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001177411318 781635071 /nfs/dbraw/zinc/63/50/71/781635071.db2.gz FXKJIEQLSSWXFY-UHFFFAOYSA-N 2 2 308.342 -1.469 20 0 DAADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178415047 781645801 /nfs/dbraw/zinc/64/58/01/781645801.db2.gz ZJKJWJRZKLKEGI-RFQIPJPRSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178415047 781645806 /nfs/dbraw/zinc/64/58/06/781645806.db2.gz ZJKJWJRZKLKEGI-RFQIPJPRSA-N 2 2 315.414 -1.097 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783289 781662508 /nfs/dbraw/zinc/66/25/08/781662508.db2.gz HLGVXJVVKSJSAY-UWVGGRQHSA-N 2 2 322.369 -1.013 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001181822224 781693816 /nfs/dbraw/zinc/69/38/16/781693816.db2.gz PZQRQMNJHBOHMH-NXEZZACHSA-N 2 2 313.358 -2.298 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001181822224 781693821 /nfs/dbraw/zinc/69/38/21/781693821.db2.gz PZQRQMNJHBOHMH-NXEZZACHSA-N 2 2 313.358 -2.298 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821994 781694332 /nfs/dbraw/zinc/69/43/32/781694332.db2.gz MFMQDTREYVFBDF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821994 781694336 /nfs/dbraw/zinc/69/43/36/781694336.db2.gz MFMQDTREYVFBDF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116019 781722339 /nfs/dbraw/zinc/72/23/39/781722339.db2.gz LPTSSCURSWONSJ-LLVKDONJSA-N 2 2 322.369 -1.012 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116019 781722342 /nfs/dbraw/zinc/72/23/42/781722342.db2.gz LPTSSCURSWONSJ-LLVKDONJSA-N 2 2 322.369 -1.012 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001184492478 781748088 /nfs/dbraw/zinc/74/80/88/781748088.db2.gz VVZOBWRFPKZVME-SNVBAGLBSA-N 2 2 322.369 -1.262 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185266837 781758260 /nfs/dbraw/zinc/75/82/60/781758260.db2.gz HNMCBFBMOAOSMY-CHWSQXEVSA-N 2 2 323.397 -1.134 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185266837 781758269 /nfs/dbraw/zinc/75/82/69/781758269.db2.gz HNMCBFBMOAOSMY-CHWSQXEVSA-N 2 2 323.397 -1.134 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001185378129 781761334 /nfs/dbraw/zinc/76/13/34/781761334.db2.gz ORMZCVGPJOOYFS-YPMHNXCESA-N 2 2 309.370 -1.360 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001185378129 781761336 /nfs/dbraw/zinc/76/13/36/781761336.db2.gz ORMZCVGPJOOYFS-YPMHNXCESA-N 2 2 309.370 -1.360 20 0 DAADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001185924982 781771090 /nfs/dbraw/zinc/77/10/90/781771090.db2.gz IOVDOPWPCFJXTH-RKDXNWHRSA-N 2 2 308.342 -1.274 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188377160 781818602 /nfs/dbraw/zinc/81/86/02/781818602.db2.gz UTZCRKDTUJPJOK-WDEREUQCSA-N 2 2 322.369 -1.082 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188377159 781818630 /nfs/dbraw/zinc/81/86/30/781818630.db2.gz UTZCRKDTUJPJOK-GHMZBOCLSA-N 2 2 322.369 -1.082 20 0 DAADLP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515750 781843398 /nfs/dbraw/zinc/84/33/98/781843398.db2.gz BPYUBEJJUDOBSE-OLZOCXBDSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515750 781843410 /nfs/dbraw/zinc/84/34/10/781843410.db2.gz BPYUBEJJUDOBSE-OLZOCXBDSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515750 781843418 /nfs/dbraw/zinc/84/34/18/781843418.db2.gz BPYUBEJJUDOBSE-OLZOCXBDSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515750 781843427 /nfs/dbraw/zinc/84/34/27/781843427.db2.gz BPYUBEJJUDOBSE-OLZOCXBDSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515747 781844980 /nfs/dbraw/zinc/84/49/80/781844980.db2.gz BPYUBEJJUDOBSE-CHWSQXEVSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515747 781844990 /nfs/dbraw/zinc/84/49/90/781844990.db2.gz BPYUBEJJUDOBSE-CHWSQXEVSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515747 781845001 /nfs/dbraw/zinc/84/50/01/781845001.db2.gz BPYUBEJJUDOBSE-CHWSQXEVSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515747 781845012 /nfs/dbraw/zinc/84/50/12/781845012.db2.gz BPYUBEJJUDOBSE-CHWSQXEVSA-N 2 2 312.414 -1.062 20 0 DAADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001376952635 921751655 /nfs/dbraw/zinc/75/16/55/921751655.db2.gz FHWATJFEZBKUMV-WDEREUQCSA-N 2 2 322.369 -1.095 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001376945003 921752060 /nfs/dbraw/zinc/75/20/60/921752060.db2.gz BJQRFKSXDUABKT-SECBINFHSA-N 2 2 308.342 -1.415 20 0 DAADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001376952626 921752713 /nfs/dbraw/zinc/75/27/13/921752713.db2.gz FHWATJFEZBKUMV-QWRGUYRKSA-N 2 2 322.369 -1.095 20 0 DAADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001377171586 921776060 /nfs/dbraw/zinc/77/60/60/921776060.db2.gz AQVMRGVSKBTCNY-NSHDSACASA-N 2 2 301.391 -1.185 20 0 DAADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001377171586 921776074 /nfs/dbraw/zinc/77/60/74/921776074.db2.gz AQVMRGVSKBTCNY-NSHDSACASA-N 2 2 301.391 -1.185 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC)C1 ZINC001377266869 921795570 /nfs/dbraw/zinc/79/55/70/921795570.db2.gz OTPRQYXGICPYPA-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC)C1 ZINC001377266869 921795576 /nfs/dbraw/zinc/79/55/76/921795576.db2.gz OTPRQYXGICPYPA-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001377266869 921795587 /nfs/dbraw/zinc/79/55/87/921795587.db2.gz OTPRQYXGICPYPA-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001377266869 921795601 /nfs/dbraw/zinc/79/56/01/921795601.db2.gz OTPRQYXGICPYPA-RYUDHWBXSA-N 2 2 300.403 -1.110 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001377289583 921798911 /nfs/dbraw/zinc/79/89/11/921798911.db2.gz TYFGNEZYSKGUEJ-KWQFWETISA-N 2 2 322.369 -1.108 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090623754 916111319 /nfs/dbraw/zinc/11/13/19/916111319.db2.gz JRGNPLFOBJGSJV-CHWSQXEVSA-N 2 2 312.414 -1.245 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090623754 916111329 /nfs/dbraw/zinc/11/13/29/916111329.db2.gz JRGNPLFOBJGSJV-CHWSQXEVSA-N 2 2 312.414 -1.245 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174683245 916149709 /nfs/dbraw/zinc/14/97/09/916149709.db2.gz RONMERGMCRANAD-UHFFFAOYSA-N 2 2 310.358 -1.188 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304877 916153358 /nfs/dbraw/zinc/15/33/58/916153358.db2.gz OQQAEYZQCKZQEW-SDDRHHMPSA-N 2 2 323.397 -1.192 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304877 916153369 /nfs/dbraw/zinc/15/33/69/916153369.db2.gz OQQAEYZQCKZQEW-SDDRHHMPSA-N 2 2 323.397 -1.192 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304877 916153380 /nfs/dbraw/zinc/15/33/80/916153380.db2.gz OQQAEYZQCKZQEW-SDDRHHMPSA-N 2 2 323.397 -1.192 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304877 916153385 /nfs/dbraw/zinc/15/33/85/916153385.db2.gz OQQAEYZQCKZQEW-SDDRHHMPSA-N 2 2 323.397 -1.192 20 0 DAADLP CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317128701 916270249 /nfs/dbraw/zinc/27/02/49/916270249.db2.gz NXOGJRAFJYVGGM-PHIMTYICSA-N 2 2 315.399 -1.331 20 0 DAADLP CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC001317653196 916345339 /nfs/dbraw/zinc/34/53/39/916345339.db2.gz FPJMVYDBGDMUPW-UHFFFAOYSA-N 2 2 308.386 -1.248 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001317652569 916346481 /nfs/dbraw/zinc/34/64/81/916346481.db2.gz AQSGJRIWZSFWCO-UHFFFAOYSA-N 2 2 310.358 -1.534 20 0 DAADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319439996 916436328 /nfs/dbraw/zinc/43/63/28/916436328.db2.gz QYSOQOXABLHFSC-RYUDHWBXSA-N 2 2 321.443 -1.202 20 0 DAADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319439996 916436336 /nfs/dbraw/zinc/43/63/36/916436336.db2.gz QYSOQOXABLHFSC-RYUDHWBXSA-N 2 2 321.443 -1.202 20 0 DAADLP C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319439997 916436640 /nfs/dbraw/zinc/43/66/40/916436640.db2.gz QYSOQOXABLHFSC-VXGBXAGGSA-N 2 2 321.443 -1.202 20 0 DAADLP C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319439997 916436655 /nfs/dbraw/zinc/43/66/55/916436655.db2.gz QYSOQOXABLHFSC-VXGBXAGGSA-N 2 2 321.443 -1.202 20 0 DAADLP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319553312 916443237 /nfs/dbraw/zinc/44/32/37/916443237.db2.gz UORCGESMJDEJGW-SNVBAGLBSA-N 2 2 322.369 -1.060 20 0 DAADLP NC(=O)[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC001319829673 916453732 /nfs/dbraw/zinc/45/37/32/916453732.db2.gz BLISOVFVKJFYPZ-RYUDHWBXSA-N 2 2 314.386 -1.861 20 0 DAADLP NC(=O)[C@@H]1C[NH+](CCCC[N@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC001319829673 916453740 /nfs/dbraw/zinc/45/37/40/916453740.db2.gz BLISOVFVKJFYPZ-RYUDHWBXSA-N 2 2 314.386 -1.861 20 0 DAADLP Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001320315452 916505566 /nfs/dbraw/zinc/50/55/66/916505566.db2.gz IMKYPKAEVOMWTH-CYBMUJFWSA-N 2 2 321.385 -1.142 20 0 DAADLP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001321661992 916587437 /nfs/dbraw/zinc/58/74/37/916587437.db2.gz QJSQMKYGUGQNAH-SNVBAGLBSA-N 2 2 317.415 -1.062 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001323579163 916733724 /nfs/dbraw/zinc/73/37/24/916733724.db2.gz DTEZKNGZWKSCPZ-UHFFFAOYSA-N 2 2 320.353 -1.258 20 0 DAADLP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001326045762 916888402 /nfs/dbraw/zinc/88/84/02/916888402.db2.gz RQIBRNWYRQBKGG-LBPRGKRZSA-N 2 2 323.397 -1.398 20 0 DAADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001326985773 916975199 /nfs/dbraw/zinc/97/51/99/916975199.db2.gz YWILQJCQSOYCRX-UHFFFAOYSA-N 2 2 323.397 -1.129 20 0 DAADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC001328768544 917109662 /nfs/dbraw/zinc/10/96/62/917109662.db2.gz MFGDNACJYQSLKR-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332602644 917392043 /nfs/dbraw/zinc/39/20/43/917392043.db2.gz RBYMVBHLTJZQOB-GFCCVEGCSA-N 2 2 321.385 -1.039 20 0 DAADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001333023226 917419900 /nfs/dbraw/zinc/41/99/00/917419900.db2.gz RLRDXDLTSPTDDH-HNNXBMFYSA-N 2 2 323.397 -1.129 20 0 DAADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001333023226 917419915 /nfs/dbraw/zinc/41/99/15/917419915.db2.gz RLRDXDLTSPTDDH-HNNXBMFYSA-N 2 2 323.397 -1.129 20 0 DAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)n1C ZINC001335216875 917532307 /nfs/dbraw/zinc/53/23/07/917532307.db2.gz NHJYMYLATYWWGQ-JTQLQIEISA-N 2 2 324.385 -1.793 20 0 DAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001338886836 917707485 /nfs/dbraw/zinc/70/74/85/917707485.db2.gz ITXHJGOKPVBCOE-KBPBESRZSA-N 2 2 312.462 -1.223 20 0 DAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001338886836 917707502 /nfs/dbraw/zinc/70/75/02/917707502.db2.gz ITXHJGOKPVBCOE-KBPBESRZSA-N 2 2 312.462 -1.223 20 0 DAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3nnc(N)n3)CC2)CC1 ZINC001361996104 918436441 /nfs/dbraw/zinc/43/64/41/918436441.db2.gz PNIXBTYNZCUYRZ-UHFFFAOYSA-N 2 2 322.417 -1.070 20 0 DAADLP C[N@H+](CC(=O)NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001363686158 918859821 /nfs/dbraw/zinc/85/98/21/918859821.db2.gz BENNHVBSXZHZBL-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP C[N@@H+](CC(=O)NCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001363686158 918859825 /nfs/dbraw/zinc/85/98/25/918859825.db2.gz BENNHVBSXZHZBL-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP COCC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364818934 919073189 /nfs/dbraw/zinc/07/31/89/919073189.db2.gz DQKFVZDODDYVCW-GFCCVEGCSA-N 2 2 306.432 -1.211 20 0 DAADLP COCC[N@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364818934 919073209 /nfs/dbraw/zinc/07/32/09/919073209.db2.gz DQKFVZDODDYVCW-GFCCVEGCSA-N 2 2 306.432 -1.211 20 0 DAADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365994823 919264082 /nfs/dbraw/zinc/26/40/82/919264082.db2.gz JZDWNLDJSXGTIE-QWRGUYRKSA-N 2 2 313.402 -1.027 20 0 DAADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365994823 919264096 /nfs/dbraw/zinc/26/40/96/919264096.db2.gz JZDWNLDJSXGTIE-QWRGUYRKSA-N 2 2 313.402 -1.027 20 0 DAADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366000552 919267201 /nfs/dbraw/zinc/26/72/01/919267201.db2.gz TXWLDOFOIRPQKH-CMPLNLGQSA-N 2 2 313.402 -1.042 20 0 DAADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366000552 919267220 /nfs/dbraw/zinc/26/72/20/919267220.db2.gz TXWLDOFOIRPQKH-CMPLNLGQSA-N 2 2 313.402 -1.042 20 0 DAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001366376250 919319839 /nfs/dbraw/zinc/31/98/39/919319839.db2.gz UYQRLLLUYOODTD-NSHDSACASA-N 2 2 322.369 -2.064 20 0 DAADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001366472360 919330866 /nfs/dbraw/zinc/33/08/66/919330866.db2.gz MECBCIXZMBBTGY-SNVBAGLBSA-N 2 2 310.358 -1.048 20 0 DAADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001366495052 919333184 /nfs/dbraw/zinc/33/31/84/919333184.db2.gz GUAGFJUBIJBPKN-SECBINFHSA-N 2 2 310.358 -1.358 20 0 DAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)nc1=O ZINC001366583383 919352488 /nfs/dbraw/zinc/35/24/88/919352488.db2.gz HVRWSDYCNUXBHF-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)nc1=O ZINC001366583383 919352503 /nfs/dbraw/zinc/35/25/03/919352503.db2.gz HVRWSDYCNUXBHF-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)nc1=O ZINC001366583383 919352519 /nfs/dbraw/zinc/35/25/19/919352519.db2.gz HVRWSDYCNUXBHF-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001366583383 919352536 /nfs/dbraw/zinc/35/25/36/919352536.db2.gz HVRWSDYCNUXBHF-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001367286855 919447502 /nfs/dbraw/zinc/44/75/02/919447502.db2.gz JVGSQUZOKYTBRH-NXEZZACHSA-N 2 2 310.358 -1.192 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001367287072 919448135 /nfs/dbraw/zinc/44/81/35/919448135.db2.gz JVGSQUZOKYTBRH-VHSXEESVSA-N 2 2 310.358 -1.192 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001367307791 919454232 /nfs/dbraw/zinc/45/42/32/919454232.db2.gz JRBGHTDABDVXRD-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001367307791 919454238 /nfs/dbraw/zinc/45/42/38/919454238.db2.gz JRBGHTDABDVXRD-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001367307789 919454913 /nfs/dbraw/zinc/45/49/13/919454913.db2.gz JRBGHTDABDVXRD-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001367307789 919454926 /nfs/dbraw/zinc/45/49/26/919454926.db2.gz JRBGHTDABDVXRD-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC)C1 ZINC001367550520 919476489 /nfs/dbraw/zinc/47/64/89/919476489.db2.gz HDAZVDQQGROITR-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC)C1 ZINC001367550520 919476500 /nfs/dbraw/zinc/47/65/00/919476500.db2.gz HDAZVDQQGROITR-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC)C1 ZINC001367550520 919476513 /nfs/dbraw/zinc/47/65/13/919476513.db2.gz HDAZVDQQGROITR-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC)C1 ZINC001367550520 919476520 /nfs/dbraw/zinc/47/65/20/919476520.db2.gz HDAZVDQQGROITR-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001367586942 919499352 /nfs/dbraw/zinc/49/93/52/919499352.db2.gz WHHQMMMHDATXIG-NWDGAFQWSA-N 2 2 309.370 -1.360 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001367586942 919499359 /nfs/dbraw/zinc/49/93/59/919499359.db2.gz WHHQMMMHDATXIG-NWDGAFQWSA-N 2 2 309.370 -1.360 20 0 DAADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592580 919505629 /nfs/dbraw/zinc/50/56/29/919505629.db2.gz RNKZDLAJUXTYST-BXKDBHETSA-N 2 2 324.385 -1.658 20 0 DAADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[nH]n1 ZINC001367592580 919505638 /nfs/dbraw/zinc/50/56/38/919505638.db2.gz RNKZDLAJUXTYST-BXKDBHETSA-N 2 2 324.385 -1.658 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001367596023 919509173 /nfs/dbraw/zinc/50/91/73/919509173.db2.gz CLZUBPQZPUMXHV-RYUDHWBXSA-N 2 2 323.397 -1.352 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001367596009 919510256 /nfs/dbraw/zinc/51/02/56/919510256.db2.gz CLZUBPQZPUMXHV-NEPJUHHUSA-N 2 2 323.397 -1.352 20 0 DAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001367603245 919517783 /nfs/dbraw/zinc/51/77/83/919517783.db2.gz GDWYJSIZKRSRGH-OLZOCXBDSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001367603245 919517796 /nfs/dbraw/zinc/51/77/96/919517796.db2.gz GDWYJSIZKRSRGH-OLZOCXBDSA-N 2 2 310.402 -1.134 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001367629786 919543716 /nfs/dbraw/zinc/54/37/16/919543716.db2.gz YLQGMGLSUBAGAO-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367665552 919552103 /nfs/dbraw/zinc/55/21/03/919552103.db2.gz RIQBPQOPNVBJMO-NEPJUHHUSA-N 2 2 300.403 -1.064 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367665552 919552114 /nfs/dbraw/zinc/55/21/14/919552114.db2.gz RIQBPQOPNVBJMO-NEPJUHHUSA-N 2 2 300.403 -1.064 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368376259 919704537 /nfs/dbraw/zinc/70/45/37/919704537.db2.gz HZMSPDQDJATGMY-LRDDRELGSA-N 2 2 324.425 -1.101 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368376259 919704550 /nfs/dbraw/zinc/70/45/50/919704550.db2.gz HZMSPDQDJATGMY-LRDDRELGSA-N 2 2 324.425 -1.101 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368376272 919709079 /nfs/dbraw/zinc/70/90/79/919709079.db2.gz HZMSPDQDJATGMY-WBMJQRKESA-N 2 2 324.425 -1.101 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368376272 919709089 /nfs/dbraw/zinc/70/90/89/919709089.db2.gz HZMSPDQDJATGMY-WBMJQRKESA-N 2 2 324.425 -1.101 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001368392968 919714240 /nfs/dbraw/zinc/71/42/40/919714240.db2.gz CGCBFRIKKOYXMQ-GFCCVEGCSA-N 2 2 309.370 -1.359 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001368392968 919714254 /nfs/dbraw/zinc/71/42/54/919714254.db2.gz CGCBFRIKKOYXMQ-GFCCVEGCSA-N 2 2 309.370 -1.359 20 0 DAADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368648979 919754753 /nfs/dbraw/zinc/75/47/53/919754753.db2.gz FSMGPAWTUYDLJJ-QWRGUYRKSA-N 2 2 322.369 -1.095 20 0 DAADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660496 919757603 /nfs/dbraw/zinc/75/76/03/919757603.db2.gz IZVCYSRNZLDGAZ-ONGXEEELSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660496 919757623 /nfs/dbraw/zinc/75/76/23/919757623.db2.gz IZVCYSRNZLDGAZ-ONGXEEELSA-N 2 2 322.369 -1.026 20 0 DAADLP NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001368683541 919761446 /nfs/dbraw/zinc/76/14/46/919761446.db2.gz DVLUNAQOPPTQPG-GHMZBOCLSA-N 2 2 321.381 -1.058 20 0 DAADLP NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001368683541 919761461 /nfs/dbraw/zinc/76/14/61/919761461.db2.gz DVLUNAQOPPTQPG-GHMZBOCLSA-N 2 2 321.381 -1.058 20 0 DAADLP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001369160479 919822829 /nfs/dbraw/zinc/82/28/29/919822829.db2.gz PAQMEEOPZADYOF-PWSUYJOCSA-N 2 2 309.370 -1.096 20 0 DAADLP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001369160471 919824469 /nfs/dbraw/zinc/82/44/69/919824469.db2.gz PAQMEEOPZADYOF-JQWIXIFHSA-N 2 2 309.370 -1.096 20 0 DAADLP CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001369160492 919824566 /nfs/dbraw/zinc/82/45/66/919824566.db2.gz PAQMEEOPZADYOF-ZYHUDNBSSA-N 2 2 309.370 -1.096 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001369145879 919824815 /nfs/dbraw/zinc/82/48/15/919824815.db2.gz OBYQQBURIRWAKS-RTCCRHLQSA-N 2 2 320.353 -1.628 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001369145879 919824826 /nfs/dbraw/zinc/82/48/26/919824826.db2.gz OBYQQBURIRWAKS-RTCCRHLQSA-N 2 2 320.353 -1.628 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369323067 919857474 /nfs/dbraw/zinc/85/74/74/919857474.db2.gz TWTJMEPJVZQNHQ-NXEZZACHSA-N 2 2 315.374 -2.397 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369323067 919857490 /nfs/dbraw/zinc/85/74/90/919857490.db2.gz TWTJMEPJVZQNHQ-NXEZZACHSA-N 2 2 315.374 -2.397 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC001369345959 919882487 /nfs/dbraw/zinc/88/24/87/919882487.db2.gz VCKLABRLRRAERN-LLVKDONJSA-N 2 2 318.399 -1.697 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369347900 919888496 /nfs/dbraw/zinc/88/84/96/919888496.db2.gz XNYRWHNFIZUOGY-GFCCVEGCSA-N 2 2 307.358 -1.413 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001369356856 919895194 /nfs/dbraw/zinc/89/51/94/919895194.db2.gz XKDXPMWSTHCDJO-NXEZZACHSA-N 2 2 312.374 -2.231 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001369356856 919895201 /nfs/dbraw/zinc/89/52/01/919895201.db2.gz XKDXPMWSTHCDJO-NXEZZACHSA-N 2 2 312.374 -2.231 20 0 DAADLP CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001369371033 919908556 /nfs/dbraw/zinc/90/85/56/919908556.db2.gz FODQWSOYDMLLRV-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001369380940 919914502 /nfs/dbraw/zinc/91/45/02/919914502.db2.gz WTNZSVZHGRDOGC-NWDGAFQWSA-N 2 2 323.397 -1.052 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001369391892 919919138 /nfs/dbraw/zinc/91/91/38/919919138.db2.gz NSPQCZTXIQEBIB-KOLCDFICSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001369468569 919946357 /nfs/dbraw/zinc/94/63/57/919946357.db2.gz SJZLCKLAYZRLRW-LLVKDONJSA-N 2 2 311.386 -1.492 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001369489981 919960796 /nfs/dbraw/zinc/96/07/96/919960796.db2.gz YMRYKLODOLDLHO-MNOVXSKESA-N 2 2 323.397 -1.015 20 0 DAADLP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1cc[nH+]c1 ZINC001369489738 919963003 /nfs/dbraw/zinc/96/30/03/919963003.db2.gz MQTGQFDWLXZHLX-NSHDSACASA-N 2 2 307.358 -1.379 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001369486329 919963356 /nfs/dbraw/zinc/96/33/56/919963356.db2.gz SLWSPMNVWUSGAN-WDEREUQCSA-N 2 2 311.386 -1.162 20 0 DAADLP CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001369490996 919966617 /nfs/dbraw/zinc/96/66/17/919966617.db2.gz YMGUKBWURJOLCN-WDEREUQCSA-N 2 2 311.386 -1.067 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369505004 919974413 /nfs/dbraw/zinc/97/44/13/919974413.db2.gz PMLJPAUGWQTOIS-NEPJUHHUSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001369505004 919974427 /nfs/dbraw/zinc/97/44/27/919974427.db2.gz PMLJPAUGWQTOIS-NEPJUHHUSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369505004 919974435 /nfs/dbraw/zinc/97/44/35/919974435.db2.gz PMLJPAUGWQTOIS-NEPJUHHUSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369505004 919974444 /nfs/dbraw/zinc/97/44/44/919974444.db2.gz PMLJPAUGWQTOIS-NEPJUHHUSA-N 2 2 300.403 -1.293 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001369522651 919980850 /nfs/dbraw/zinc/98/08/50/919980850.db2.gz LSYKYDXDQHCFDH-CYBMUJFWSA-N 2 2 321.385 -1.074 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001369522651 919980860 /nfs/dbraw/zinc/98/08/60/919980860.db2.gz LSYKYDXDQHCFDH-CYBMUJFWSA-N 2 2 321.385 -1.074 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001370716289 920138243 /nfs/dbraw/zinc/13/82/43/920138243.db2.gz ADVHMZGBHIMNNA-MXWKQRLJSA-N 2 2 322.369 -1.036 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001370730139 920144697 /nfs/dbraw/zinc/14/46/97/920144697.db2.gz ZLTZJCILSZRSOG-GFCCVEGCSA-N 2 2 320.353 -1.318 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749977 920156250 /nfs/dbraw/zinc/15/62/50/920156250.db2.gz HDQQOPICTFKPLF-LBPRGKRZSA-N 2 2 321.381 -1.359 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001370756187 920159908 /nfs/dbraw/zinc/15/99/08/920159908.db2.gz HBFVVRWKPMSQSZ-DGCLKSJQSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001370756187 920159919 /nfs/dbraw/zinc/15/99/19/920159919.db2.gz HBFVVRWKPMSQSZ-DGCLKSJQSA-N 2 2 323.397 -1.052 20 0 DAADLP CN(C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C 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JZUWTIMNUPRUGI-JSGCOSHPSA-N 2 2 315.414 -1.238 20 0 DAADLP C[N@H+](CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001373513895 920514651 /nfs/dbraw/zinc/51/46/51/920514651.db2.gz OTANFZQVXHENCS-UHFFFAOYSA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@@H+](CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001373513895 920514667 /nfs/dbraw/zinc/51/46/67/920514667.db2.gz OTANFZQVXHENCS-UHFFFAOYSA-N 2 2 311.386 -1.286 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001373608968 920534301 /nfs/dbraw/zinc/53/43/01/920534301.db2.gz TWANAZGHGMNNKQ-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001373608968 920534307 /nfs/dbraw/zinc/53/43/07/920534307.db2.gz TWANAZGHGMNNKQ-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001373608968 920534313 /nfs/dbraw/zinc/53/43/13/920534313.db2.gz TWANAZGHGMNNKQ-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001373608968 920534325 /nfs/dbraw/zinc/53/43/25/920534325.db2.gz TWANAZGHGMNNKQ-NSHDSACASA-N 2 2 313.402 -1.026 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373608101 920534553 /nfs/dbraw/zinc/53/45/53/920534553.db2.gz FFTGTLBSGMYMAN-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373608101 920534565 /nfs/dbraw/zinc/53/45/65/920534565.db2.gz FFTGTLBSGMYMAN-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373608101 920534573 /nfs/dbraw/zinc/53/45/73/920534573.db2.gz FFTGTLBSGMYMAN-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373608101 920534585 /nfs/dbraw/zinc/53/45/85/920534585.db2.gz FFTGTLBSGMYMAN-MNOVXSKESA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373645193 920545155 /nfs/dbraw/zinc/54/51/55/920545155.db2.gz FFTGTLBSGMYMAN-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373645193 920545164 /nfs/dbraw/zinc/54/51/64/920545164.db2.gz FFTGTLBSGMYMAN-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373645193 920545175 /nfs/dbraw/zinc/54/51/75/920545175.db2.gz FFTGTLBSGMYMAN-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001373645193 920545186 /nfs/dbraw/zinc/54/51/86/920545186.db2.gz FFTGTLBSGMYMAN-GHMZBOCLSA-N 2 2 311.386 -1.286 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995686 920573580 /nfs/dbraw/zinc/57/35/80/920573580.db2.gz FYCRPKYKYZWSKX-MNOVXSKESA-N 2 2 311.390 -1.617 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1nnnn1C ZINC001373995686 920573591 /nfs/dbraw/zinc/57/35/91/920573591.db2.gz FYCRPKYKYZWSKX-MNOVXSKESA-N 2 2 311.390 -1.617 20 0 DAADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]CC(=O)NC(N)=O ZINC001374049123 920580874 /nfs/dbraw/zinc/58/08/74/920580874.db2.gz XIAIMFRRQOOWNP-JTQLQIEISA-N 2 2 324.385 -1.111 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001374139950 920587822 /nfs/dbraw/zinc/58/78/22/920587822.db2.gz GWIIUYCMOGIODM-ZIAGYGMSSA-N 2 2 315.414 -1.236 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001374139950 920587834 /nfs/dbraw/zinc/58/78/34/920587834.db2.gz GWIIUYCMOGIODM-ZIAGYGMSSA-N 2 2 315.414 -1.236 20 0 DAADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001374312031 920600728 /nfs/dbraw/zinc/60/07/28/920600728.db2.gz IPAFLKUMNJWQOE-UWVGGRQHSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001374535407 920613860 /nfs/dbraw/zinc/61/38/60/920613860.db2.gz FIKCLMZXRSPUPM-NSHDSACASA-N 2 2 313.402 -1.087 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001374535407 920613873 /nfs/dbraw/zinc/61/38/73/920613873.db2.gz FIKCLMZXRSPUPM-NSHDSACASA-N 2 2 313.402 -1.087 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001374535407 920613887 /nfs/dbraw/zinc/61/38/87/920613887.db2.gz FIKCLMZXRSPUPM-NSHDSACASA-N 2 2 313.402 -1.087 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001374535407 920613901 /nfs/dbraw/zinc/61/39/01/920613901.db2.gz FIKCLMZXRSPUPM-NSHDSACASA-N 2 2 313.402 -1.087 20 0 DAADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O ZINC001374550367 920615517 /nfs/dbraw/zinc/61/55/17/920615517.db2.gz MLMUYOFBLNBVKD-UHFFFAOYSA-N 2 2 301.391 -1.087 20 0 DAADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC(N)=O ZINC001374550367 920615527 /nfs/dbraw/zinc/61/55/27/920615527.db2.gz MLMUYOFBLNBVKD-UHFFFAOYSA-N 2 2 301.391 -1.087 20 0 DAADLP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001374550367 920615535 /nfs/dbraw/zinc/61/55/35/920615535.db2.gz MLMUYOFBLNBVKD-UHFFFAOYSA-N 2 2 301.391 -1.087 20 0 DAADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001374550367 920615541 /nfs/dbraw/zinc/61/55/41/920615541.db2.gz MLMUYOFBLNBVKD-UHFFFAOYSA-N 2 2 301.391 -1.087 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001374616339 920650334 /nfs/dbraw/zinc/65/03/34/920650334.db2.gz GIRSTBDZRMPVCY-CMPLNLGQSA-N 2 2 309.370 -1.742 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001374635120 920663575 /nfs/dbraw/zinc/66/35/75/920663575.db2.gz QIQYKVFCGMACFA-LBPRGKRZSA-N 2 2 321.385 -1.252 20 0 DAADLP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001374647590 920672929 /nfs/dbraw/zinc/67/29/29/920672929.db2.gz BUTJAJYLGLHAPX-GFCCVEGCSA-N 2 2 307.358 -1.170 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001374653350 920674288 /nfs/dbraw/zinc/67/42/88/920674288.db2.gz PXKQBYRYFDBWOV-RYUDHWBXSA-N 2 2 309.370 -1.360 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001374653353 920674697 /nfs/dbraw/zinc/67/46/97/920674697.db2.gz PXKQBYRYFDBWOV-VXGBXAGGSA-N 2 2 309.370 -1.360 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001374655486 920674791 /nfs/dbraw/zinc/67/47/91/920674791.db2.gz JWJYEQUPLUIHQA-CYBMUJFWSA-N 2 2 312.370 -1.036 20 0 DAADLP CC(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001374672875 920684043 /nfs/dbraw/zinc/68/40/43/920684043.db2.gz ALMRFXRCWPBUDW-QWHCGFSZSA-N 2 2 323.397 -1.041 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001374677077 920688268 /nfs/dbraw/zinc/68/82/68/920688268.db2.gz JXICOUTZMGGYSS-MNOVXSKESA-N 2 2 311.386 -1.196 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001374682475 920690149 /nfs/dbraw/zinc/69/01/49/920690149.db2.gz XGXSGSOSWURTJH-NSHDSACASA-N 2 2 309.370 -1.394 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001374683414 920691206 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312.414 -1.110 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)nn1 ZINC001376046342 920834614 /nfs/dbraw/zinc/83/46/14/920834614.db2.gz DNTQHUDLWFSKRQ-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)nn1 ZINC001376046342 920834627 /nfs/dbraw/zinc/83/46/27/920834627.db2.gz DNTQHUDLWFSKRQ-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001376046342 920834645 /nfs/dbraw/zinc/83/46/45/920834645.db2.gz DNTQHUDLWFSKRQ-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1cc(C[NH+]2CC[C@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001376046342 920834656 /nfs/dbraw/zinc/83/46/56/920834656.db2.gz DNTQHUDLWFSKRQ-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001376071210 920842312 /nfs/dbraw/zinc/84/23/12/920842312.db2.gz KRDNFXCXHZRXHM-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001376071210 920842327 /nfs/dbraw/zinc/84/23/27/920842327.db2.gz KRDNFXCXHZRXHM-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001376071210 920842336 /nfs/dbraw/zinc/84/23/36/920842336.db2.gz KRDNFXCXHZRXHM-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001376071210 920842347 /nfs/dbraw/zinc/84/23/47/920842347.db2.gz KRDNFXCXHZRXHM-QWRGUYRKSA-N 2 2 311.386 -1.286 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376171614 920883726 /nfs/dbraw/zinc/88/37/26/920883726.db2.gz XPRKRPQVAVUOFT-FRRDWIJNSA-N 2 2 315.414 -1.503 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376171614 920883746 /nfs/dbraw/zinc/88/37/46/920883746.db2.gz XPRKRPQVAVUOFT-FRRDWIJNSA-N 2 2 315.414 -1.503 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001376279184 920913676 /nfs/dbraw/zinc/91/36/76/920913676.db2.gz UEQMWHSRRXPNKT-CHWSQXEVSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376279184 920913692 /nfs/dbraw/zinc/91/36/92/920913692.db2.gz UEQMWHSRRXPNKT-CHWSQXEVSA-N 2 2 315.414 -1.502 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376333754 920922760 /nfs/dbraw/zinc/92/27/60/920922760.db2.gz RUPLAIOQQSMRCW-ZJUUUORDSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376333754 920922772 /nfs/dbraw/zinc/92/27/72/920922772.db2.gz RUPLAIOQQSMRCW-ZJUUUORDSA-N 2 2 322.369 -1.026 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376487520 920951003 /nfs/dbraw/zinc/95/10/03/920951003.db2.gz IPECTNJUWHWAPX-OAHLLOKOSA-N 2 2 323.397 -1.119 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376487520 920951017 /nfs/dbraw/zinc/95/10/17/920951017.db2.gz IPECTNJUWHWAPX-OAHLLOKOSA-N 2 2 323.397 -1.119 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505649 920960898 /nfs/dbraw/zinc/96/08/98/920960898.db2.gz WZTNVDQVTOVQTA-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001376505649 920960915 /nfs/dbraw/zinc/96/09/15/920960915.db2.gz WZTNVDQVTOVQTA-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001376505649 920960930 /nfs/dbraw/zinc/96/09/30/920960930.db2.gz WZTNVDQVTOVQTA-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001376505649 920960946 /nfs/dbraw/zinc/96/09/46/920960946.db2.gz WZTNVDQVTOVQTA-ZFWWWQNUSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001376650584 921006380 /nfs/dbraw/zinc/00/63/80/921006380.db2.gz GXMFJFTZRCNRRY-ZDUSSCGKSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666482 921011821 /nfs/dbraw/zinc/01/18/21/921011821.db2.gz YPTUPSDCCKAZPX-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666482 921011837 /nfs/dbraw/zinc/01/18/37/921011837.db2.gz YPTUPSDCCKAZPX-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(=O)NC(N)=O ZINC001376756946 921027436 /nfs/dbraw/zinc/02/74/36/921027436.db2.gz LAWIVDCRQPIHAX-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001376778265 921031573 /nfs/dbraw/zinc/03/15/73/921031573.db2.gz WIVZYMXZVDTAOW-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001376778263 921031743 /nfs/dbraw/zinc/03/17/43/921031743.db2.gz WIVZYMXZVDTAOW-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001376854030 921043877 /nfs/dbraw/zinc/04/38/77/921043877.db2.gz UHVSPWOCLWQVHN-MNOVXSKESA-N 2 2 309.370 -1.096 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001376854032 921044189 /nfs/dbraw/zinc/04/41/89/921044189.db2.gz UHVSPWOCLWQVHN-WDEREUQCSA-N 2 2 309.370 -1.096 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377476972 921823625 /nfs/dbraw/zinc/82/36/25/921823625.db2.gz KSBBILQZEFCQHM-JTQLQIEISA-N 2 2 308.342 -1.484 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377476972 921823641 /nfs/dbraw/zinc/82/36/41/921823641.db2.gz KSBBILQZEFCQHM-JTQLQIEISA-N 2 2 308.342 -1.484 20 0 DAADLP NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001377969339 921891054 /nfs/dbraw/zinc/89/10/54/921891054.db2.gz IUOXDPUYMIEVET-GFCCVEGCSA-N 2 2 323.397 -1.429 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001378022801 921900699 /nfs/dbraw/zinc/90/06/99/921900699.db2.gz GFZMGCRUNCWZFW-VIFPVBQESA-N 2 2 322.369 -1.177 20 0 DAADLP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228616 921933924 /nfs/dbraw/zinc/93/39/24/921933924.db2.gz FZIWUQMVRZRVBS-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228616 921933937 /nfs/dbraw/zinc/93/39/37/921933937.db2.gz FZIWUQMVRZRVBS-GHMZBOCLSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(=O)NC ZINC001378292305 921947787 /nfs/dbraw/zinc/94/77/87/921947787.db2.gz KZUYRTBJZJKNSG-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378334413 921954243 /nfs/dbraw/zinc/95/42/43/921954243.db2.gz BBOUXOGFXHSGNL-JTQLQIEISA-N 2 2 307.358 -1.011 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001378508032 921967501 /nfs/dbraw/zinc/96/75/01/921967501.db2.gz QAOLEUVURLLOKM-SNVBAGLBSA-N 2 2 322.369 -1.012 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378493590 921968612 /nfs/dbraw/zinc/96/86/12/921968612.db2.gz HUCZVDNQIXUNGG-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378493590 921968619 /nfs/dbraw/zinc/96/86/19/921968619.db2.gz HUCZVDNQIXUNGG-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP CN(CC[N@H+](C)CC(N)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001379120851 922038011 /nfs/dbraw/zinc/03/80/11/922038011.db2.gz XETFHPPHDBLFGS-UHFFFAOYSA-N 2 2 300.403 -1.027 20 0 DAADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001379120851 922038028 /nfs/dbraw/zinc/03/80/28/922038028.db2.gz XETFHPPHDBLFGS-UHFFFAOYSA-N 2 2 300.403 -1.027 20 0 DAADLP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379184366 922055879 /nfs/dbraw/zinc/05/58/79/922055879.db2.gz RFBZIBDDDIYXQP-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379184366 922055894 /nfs/dbraw/zinc/05/58/94/922055894.db2.gz RFBZIBDDDIYXQP-YPMHNXCESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379184362 922056331 /nfs/dbraw/zinc/05/63/31/922056331.db2.gz RFBZIBDDDIYXQP-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379184362 922056339 /nfs/dbraw/zinc/05/63/39/922056339.db2.gz RFBZIBDDDIYXQP-WCQYABFASA-N 2 2 312.370 -1.120 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001379226305 922086475 /nfs/dbraw/zinc/08/64/75/922086475.db2.gz FQQZUTIVKAHRLU-WDEREUQCSA-N 2 2 311.386 -1.446 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379234720 922088341 /nfs/dbraw/zinc/08/83/41/922088341.db2.gz VEUJMMSNGZTRMB-YPMHNXCESA-N 2 2 323.397 -1.400 20 0 DAADLP C[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001379247092 922096414 /nfs/dbraw/zinc/09/64/14/922096414.db2.gz KQKUPLSTJNEVPU-NWDGAFQWSA-N 2 2 311.386 -1.011 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001379250728 922096771 /nfs/dbraw/zinc/09/67/71/922096771.db2.gz XCLXUALMBWJZMT-WCQYABFASA-N 2 2 323.397 -1.065 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001379276137 922112310 /nfs/dbraw/zinc/11/23/10/922112310.db2.gz JGJBKIURXRWPOP-GFCCVEGCSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379288027 922116937 /nfs/dbraw/zinc/11/69/37/922116937.db2.gz NCZJQHYSWSWZGW-SNVBAGLBSA-N 2 2 323.357 -2.120 20 0 DAADLP CC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001379288384 922117330 /nfs/dbraw/zinc/11/73/30/922117330.db2.gz FYHSJRPVBODYIG-LLVKDONJSA-N 2 2 311.386 -1.136 20 0 DAADLP COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001379298789 922118828 /nfs/dbraw/zinc/11/88/28/922118828.db2.gz YWEMATSOSPRKTG-GFCCVEGCSA-N 2 2 320.353 -1.051 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371119 922138867 /nfs/dbraw/zinc/13/88/67/922138867.db2.gz LWQPUYVIEFFKTC-JQWIXIFHSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371119 922138871 /nfs/dbraw/zinc/13/88/71/922138871.db2.gz LWQPUYVIEFFKTC-JQWIXIFHSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371125 922140556 /nfs/dbraw/zinc/14/05/56/922140556.db2.gz LWQPUYVIEFFKTC-PWSUYJOCSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C1CC1 ZINC001379371125 922140567 /nfs/dbraw/zinc/14/05/67/922140567.db2.gz LWQPUYVIEFFKTC-PWSUYJOCSA-N 2 2 323.401 -1.331 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001379376428 922142367 /nfs/dbraw/zinc/14/23/67/922142367.db2.gz XKDXPMWSTHCDJO-ZJUUUORDSA-N 2 2 312.374 -2.231 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001379376428 922142379 /nfs/dbraw/zinc/14/23/79/922142379.db2.gz XKDXPMWSTHCDJO-ZJUUUORDSA-N 2 2 312.374 -2.231 20 0 DAADLP Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379375955 922142528 /nfs/dbraw/zinc/14/25/28/922142528.db2.gz RZGZQQWJXGSJIA-TZMCWYRMSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379375955 922142542 /nfs/dbraw/zinc/14/25/42/922142542.db2.gz RZGZQQWJXGSJIA-TZMCWYRMSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001379378228 922142674 /nfs/dbraw/zinc/14/26/74/922142674.db2.gz YZGKDFFUULZGRR-ZIAGYGMSSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001379378228 922142687 /nfs/dbraw/zinc/14/26/87/922142687.db2.gz YZGKDFFUULZGRR-ZIAGYGMSSA-N 2 2 323.397 -1.318 20 0 DAADLP CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001379376434 922143178 /nfs/dbraw/zinc/14/31/78/922143178.db2.gz XKMDFYJFSJWRIW-WCQYABFASA-N 2 2 312.414 -1.232 20 0 DAADLP CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001379376434 922143186 /nfs/dbraw/zinc/14/31/86/922143186.db2.gz XKMDFYJFSJWRIW-WCQYABFASA-N 2 2 312.414 -1.232 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379474302 922191399 /nfs/dbraw/zinc/19/13/99/922191399.db2.gz RJOIFKRZMBMFTR-NEPJUHHUSA-N 2 2 300.403 -1.327 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379474302 922191420 /nfs/dbraw/zinc/19/14/20/922191420.db2.gz RJOIFKRZMBMFTR-NEPJUHHUSA-N 2 2 300.403 -1.327 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001379473562 922193095 /nfs/dbraw/zinc/19/30/95/922193095.db2.gz QLESMMSAUSHVEI-OLZOCXBDSA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001379473562 922193106 /nfs/dbraw/zinc/19/31/06/922193106.db2.gz QLESMMSAUSHVEI-OLZOCXBDSA-N 2 2 312.414 -1.230 20 0 DAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC2 ZINC001379482454 922196673 /nfs/dbraw/zinc/19/66/73/922196673.db2.gz VTEFPPIGHYVBQE-WDEREUQCSA-N 2 2 309.370 -1.694 20 0 DAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001379507178 922205179 /nfs/dbraw/zinc/20/51/79/922205179.db2.gz UVWVUXDPJIJUBP-LBPRGKRZSA-N 2 2 308.386 -1.522 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001379506948 922205218 /nfs/dbraw/zinc/20/52/18/922205218.db2.gz ATBVKGSXBXZNQM-LBPRGKRZSA-N 2 2 323.397 -1.050 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001379504779 922207616 /nfs/dbraw/zinc/20/76/16/922207616.db2.gz HCUHZNHGXHQFQT-NSHDSACASA-N 2 2 311.386 -1.492 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001379509537 922208807 /nfs/dbraw/zinc/20/88/07/922208807.db2.gz QLVOZMMQCIZVNJ-JTQLQIEISA-N 2 2 307.358 -1.642 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001379523279 922214346 /nfs/dbraw/zinc/21/43/46/922214346.db2.gz COEZMDSHFDJFBP-LBPRGKRZSA-N 2 2 311.386 -1.263 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379580150 922228791 /nfs/dbraw/zinc/22/87/91/922228791.db2.gz DGSSOMDPIKQXHH-ZJUUUORDSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001379580142 922230332 /nfs/dbraw/zinc/23/03/32/922230332.db2.gz DGSSOMDPIKQXHH-UWVGGRQHSA-N 2 2 322.369 -1.013 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379849884 922279620 /nfs/dbraw/zinc/27/96/20/922279620.db2.gz GWJRJVHHLGXHAD-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001379864363 922283744 /nfs/dbraw/zinc/28/37/44/922283744.db2.gz GEPOLOQMDQLOAC-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001379864368 922284093 /nfs/dbraw/zinc/28/40/93/922284093.db2.gz GEPOLOQMDQLOAC-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001379864365 922284256 /nfs/dbraw/zinc/28/42/56/922284256.db2.gz GEPOLOQMDQLOAC-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001380557590 922390145 /nfs/dbraw/zinc/39/01/45/922390145.db2.gz VVVXPLAQLHVOKF-SMDDNHRTSA-N 2 2 309.370 -1.300 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001380557590 922390157 /nfs/dbraw/zinc/39/01/57/922390157.db2.gz VVVXPLAQLHVOKF-SMDDNHRTSA-N 2 2 309.370 -1.300 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001380565033 922394859 /nfs/dbraw/zinc/39/48/59/922394859.db2.gz GHSCERYHZPNUML-AWEZNQCLSA-N 2 2 319.369 -1.272 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380565033 922394876 /nfs/dbraw/zinc/39/48/76/922394876.db2.gz GHSCERYHZPNUML-AWEZNQCLSA-N 2 2 319.369 -1.272 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001380769095 922453419 /nfs/dbraw/zinc/45/34/19/922453419.db2.gz SGCFTVIAYOJARL-MNOVXSKESA-N 2 2 302.375 -2.399 20 0 DAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001380769095 922453429 /nfs/dbraw/zinc/45/34/29/922453429.db2.gz SGCFTVIAYOJARL-MNOVXSKESA-N 2 2 302.375 -2.399 20 0 DAADLP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)Cn2cc[nH+]c2)C1=O ZINC001380774900 922457097 /nfs/dbraw/zinc/45/70/97/922457097.db2.gz QAOGSJSCSUXALH-LBPRGKRZSA-N 2 2 309.370 -1.476 20 0 DAADLP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)Cn2cc[nH+]c2)C1=O ZINC001380774898 922457938 /nfs/dbraw/zinc/45/79/38/922457938.db2.gz QAOGSJSCSUXALH-GFCCVEGCSA-N 2 2 309.370 -1.476 20 0 DAADLP CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001381169158 922507183 /nfs/dbraw/zinc/50/71/83/922507183.db2.gz NQTFELVQABMQSG-UHFFFAOYSA-N 2 2 323.397 -1.038 20 0 DAADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(N)=O ZINC001382087024 922583933 /nfs/dbraw/zinc/58/39/33/922583933.db2.gz TXPGEVVBTTVUOH-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001382087024 922583949 /nfs/dbraw/zinc/58/39/49/922583949.db2.gz TXPGEVVBTTVUOH-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001382218059 922624547 /nfs/dbraw/zinc/62/45/47/922624547.db2.gz XUJILXCMIHFFBU-GHMZBOCLSA-N 2 2 309.370 -1.742 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001382244693 922638134 /nfs/dbraw/zinc/63/81/34/922638134.db2.gz HAVXSNNISPOZNY-YPMHNXCESA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001382244693 922638141 /nfs/dbraw/zinc/63/81/41/922638141.db2.gz HAVXSNNISPOZNY-YPMHNXCESA-N 2 2 310.402 -1.276 20 0 DAADLP CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001382267891 922650973 /nfs/dbraw/zinc/65/09/73/922650973.db2.gz RFKHINRQGSOBES-CYBMUJFWSA-N 2 2 322.413 -1.040 20 0 DAADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001382263448 922652546 /nfs/dbraw/zinc/65/25/46/922652546.db2.gz OBAQPUIXJSGPFR-NWDGAFQWSA-N 2 2 311.386 -1.011 20 0 DAADLP CCn1cc(C[NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001382268278 922657061 /nfs/dbraw/zinc/65/70/61/922657061.db2.gz UZLQKVVFNCUGEV-ZDUSSCGKSA-N 2 2 322.413 -1.040 20 0 DAADLP CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001382274914 922659233 /nfs/dbraw/zinc/65/92/33/922659233.db2.gz QHULOYBRSKEAHO-WCQYABFASA-N 2 2 310.402 -1.184 20 0 DAADLP CCn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001382274914 922659237 /nfs/dbraw/zinc/65/92/37/922659237.db2.gz QHULOYBRSKEAHO-WCQYABFASA-N 2 2 310.402 -1.184 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001382271545 922659624 /nfs/dbraw/zinc/65/96/24/922659624.db2.gz CPFCQEWUVYAQHN-QWRGUYRKSA-N 2 2 311.386 -1.196 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001382283215 922668730 /nfs/dbraw/zinc/66/87/30/922668730.db2.gz HLGVXJVVKSJSAY-ZJUUUORDSA-N 2 2 322.369 -1.013 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001382286658 922669146 /nfs/dbraw/zinc/66/91/46/922669146.db2.gz MKDYMDDXQYSYEV-GFCCVEGCSA-N 2 2 309.370 -1.428 20 0 DAADLP CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382292272 922672896 /nfs/dbraw/zinc/67/28/96/922672896.db2.gz SRMOBQJBFKHKAR-GFCCVEGCSA-N 2 2 311.386 -1.183 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001382397522 922718846 /nfs/dbraw/zinc/71/88/46/922718846.db2.gz BMMYOMRGHBXCPO-AAEUAGOBSA-N 2 2 323.397 -1.400 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001382416072 922735422 /nfs/dbraw/zinc/73/54/22/922735422.db2.gz XHBGEOXXXNRXRU-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC001382464500 922769063 /nfs/dbraw/zinc/76/90/63/922769063.db2.gz RXAQUILABBRIGH-FRRDWIJNSA-N 2 2 323.397 -1.183 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC001382464500 922769076 /nfs/dbraw/zinc/76/90/76/922769076.db2.gz RXAQUILABBRIGH-FRRDWIJNSA-N 2 2 323.397 -1.183 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001382497905 922786578 /nfs/dbraw/zinc/78/65/78/922786578.db2.gz NVGVLUYYKFFMGP-LBPRGKRZSA-N 2 2 321.381 -1.428 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001382497901 922787818 /nfs/dbraw/zinc/78/78/18/922787818.db2.gz NVGVLUYYKFFMGP-GFCCVEGCSA-N 2 2 321.381 -1.428 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001382627095 922823167 /nfs/dbraw/zinc/82/31/67/922823167.db2.gz BVNIPTJPEZVENX-VXGBXAGGSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001382653259 922828810 /nfs/dbraw/zinc/82/88/10/922828810.db2.gz LNPVCJKYJSYUGH-ZDUSSCGKSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001383958031 922993789 /nfs/dbraw/zinc/99/37/89/922993789.db2.gz ZTZVPZUIGJEFFL-GFCCVEGCSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058851 923040230 /nfs/dbraw/zinc/04/02/30/923040230.db2.gz ZALTXRWEACJNNI-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001384058851 923040236 /nfs/dbraw/zinc/04/02/36/923040236.db2.gz ZALTXRWEACJNNI-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514203 923640299 /nfs/dbraw/zinc/64/02/99/923640299.db2.gz SIHSMDNRUOFJLI-RYUDHWBXSA-N 2 2 318.443 -1.322 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001389514203 923640308 /nfs/dbraw/zinc/64/03/08/923640308.db2.gz SIHSMDNRUOFJLI-RYUDHWBXSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514203 923640322 /nfs/dbraw/zinc/64/03/22/923640322.db2.gz SIHSMDNRUOFJLI-RYUDHWBXSA-N 2 2 318.443 -1.322 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC001389514203 923640327 /nfs/dbraw/zinc/64/03/27/923640327.db2.gz SIHSMDNRUOFJLI-RYUDHWBXSA-N 2 2 318.443 -1.322 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001390028458 923710546 /nfs/dbraw/zinc/71/05/46/923710546.db2.gz KMFOOXBJZFHKNJ-PHIMTYICSA-N 2 2 322.369 -1.034 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001390474499 923747638 /nfs/dbraw/zinc/74/76/38/923747638.db2.gz DRFWNAQMVFGWTA-IVZWLZJFSA-N 2 2 322.369 -1.187 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001390508654 923750938 /nfs/dbraw/zinc/75/09/38/923750938.db2.gz LXLRRUJHZHOSPV-VIFPVBQESA-N 2 2 310.358 -1.488 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001390568500 923758934 /nfs/dbraw/zinc/75/89/34/923758934.db2.gz RHXYORYTHUDSLK-VIFPVBQESA-N 2 2 308.342 -1.354 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001390561052 923759678 /nfs/dbraw/zinc/75/96/78/923759678.db2.gz VVZOBWRFPKZVME-JTQLQIEISA-N 2 2 322.369 -1.262 20 0 DAADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001390584646 923760388 /nfs/dbraw/zinc/76/03/88/923760388.db2.gz GQZSKVYNKAQRCR-VHSXEESVSA-N 2 2 322.369 -1.026 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391371507 923828446 /nfs/dbraw/zinc/82/84/46/923828446.db2.gz ADHWCYBDEWAUQH-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391371507 923828455 /nfs/dbraw/zinc/82/84/55/923828455.db2.gz ADHWCYBDEWAUQH-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391371507 923828467 /nfs/dbraw/zinc/82/84/67/923828467.db2.gz ADHWCYBDEWAUQH-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391371507 923828479 /nfs/dbraw/zinc/82/84/79/923828479.db2.gz ADHWCYBDEWAUQH-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879478 923879976 /nfs/dbraw/zinc/87/99/76/923879976.db2.gz AUNPLJLLPLNPBQ-AAEUAGOBSA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879478 923879988 /nfs/dbraw/zinc/87/99/88/923879988.db2.gz AUNPLJLLPLNPBQ-AAEUAGOBSA-N 2 2 310.402 -1.012 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001392131710 923941654 /nfs/dbraw/zinc/94/16/54/923941654.db2.gz TVCBRRVSMDJLLL-CYBMUJFWSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001392179581 923946179 /nfs/dbraw/zinc/94/61/79/923946179.db2.gz HIDHHVIFCRISIP-GXSJLCMTSA-N 2 2 322.369 -1.026 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392273183 923957696 /nfs/dbraw/zinc/95/76/96/923957696.db2.gz RSRLLGNDIMMARV-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001392273183 923957705 /nfs/dbraw/zinc/95/77/05/923957705.db2.gz RSRLLGNDIMMARV-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392273183 923957714 /nfs/dbraw/zinc/95/77/14/923957714.db2.gz RSRLLGNDIMMARV-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392273183 923957725 /nfs/dbraw/zinc/95/77/25/923957725.db2.gz RSRLLGNDIMMARV-NWDGAFQWSA-N 2 2 300.403 -1.029 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC001392362364 923976515 /nfs/dbraw/zinc/97/65/15/923976515.db2.gz FFCQRUWRAYDKTJ-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC001392362364 923976526 /nfs/dbraw/zinc/97/65/26/923976526.db2.gz FFCQRUWRAYDKTJ-STQMWFEESA-N 2 2 312.370 -1.120 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001392406926 924015422 /nfs/dbraw/zinc/01/54/22/924015422.db2.gz CTTJMVSRCYGYSF-GXSJLCMTSA-N 2 2 309.370 -1.314 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422297 924023249 /nfs/dbraw/zinc/02/32/49/924023249.db2.gz HWBPQYAMDUTEDN-VXGBXAGGSA-N 2 2 313.358 -1.643 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001392422297 924023264 /nfs/dbraw/zinc/02/32/64/924023264.db2.gz HWBPQYAMDUTEDN-VXGBXAGGSA-N 2 2 313.358 -1.643 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001392425370 924028695 /nfs/dbraw/zinc/02/86/95/924028695.db2.gz IMVYVNCMSQZCNI-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393240403 924129133 /nfs/dbraw/zinc/12/91/33/924129133.db2.gz HCVGHVCDGSTEEG-FZMZJTMJSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001393240403 924129140 /nfs/dbraw/zinc/12/91/40/924129140.db2.gz HCVGHVCDGSTEEG-FZMZJTMJSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001393240403 924129145 /nfs/dbraw/zinc/12/91/45/924129145.db2.gz HCVGHVCDGSTEEG-FZMZJTMJSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001393240403 924129149 /nfs/dbraw/zinc/12/91/49/924129149.db2.gz HCVGHVCDGSTEEG-FZMZJTMJSA-N 2 2 314.386 -2.384 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001393249322 924133235 /nfs/dbraw/zinc/13/32/35/924133235.db2.gz QOAQPMNOKKJCGP-WFASDCNBSA-N 2 2 308.382 -1.009 20 0 DAADLP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001393249322 924133245 /nfs/dbraw/zinc/13/32/45/924133245.db2.gz QOAQPMNOKKJCGP-WFASDCNBSA-N 2 2 308.382 -1.009 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393279015 924152027 /nfs/dbraw/zinc/15/20/27/924152027.db2.gz RVFYRDALEGIJDL-AWEZNQCLSA-N 2 2 309.370 -1.509 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393279015 924152037 /nfs/dbraw/zinc/15/20/37/924152037.db2.gz RVFYRDALEGIJDL-AWEZNQCLSA-N 2 2 309.370 -1.509 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001393288700 924155095 /nfs/dbraw/zinc/15/50/95/924155095.db2.gz DWENEJKLNASJQI-WFASDCNBSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393288700 924155107 /nfs/dbraw/zinc/15/51/07/924155107.db2.gz DWENEJKLNASJQI-WFASDCNBSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393289822 924155150 /nfs/dbraw/zinc/15/51/50/924155150.db2.gz GXXPOLGNEVALDL-HNNXBMFYSA-N 2 2 321.381 -1.332 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393289822 924155160 /nfs/dbraw/zinc/15/51/60/924155160.db2.gz GXXPOLGNEVALDL-HNNXBMFYSA-N 2 2 321.381 -1.332 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001393343340 924184181 /nfs/dbraw/zinc/18/41/81/924184181.db2.gz VTAOYPVQJSDTLM-ZDUSSCGKSA-N 2 2 315.414 -1.502 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001393471134 924212220 /nfs/dbraw/zinc/21/22/20/924212220.db2.gz ZDAIBYJJQSWRHN-LBPRGKRZSA-N 2 2 309.370 -1.359 20 0 DAADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001393486077 924216060 /nfs/dbraw/zinc/21/60/60/924216060.db2.gz XEHSQKMOXLRFPV-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001393576572 924227452 /nfs/dbraw/zinc/22/74/52/924227452.db2.gz PZCDZWBPKXJRIB-HBNTYKKESA-N 2 2 307.354 -1.185 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001393581409 924231216 /nfs/dbraw/zinc/23/12/16/924231216.db2.gz ARGQCEHCSMSMTM-OLZOCXBDSA-N 2 2 312.370 -1.293 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001393587366 924233195 /nfs/dbraw/zinc/23/31/95/924233195.db2.gz KBXLOGVWUKCUSO-LBPRGKRZSA-N 2 2 309.370 -1.143 20 0 DAADLP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001393696641 924245928 /nfs/dbraw/zinc/24/59/28/924245928.db2.gz NLCGWZZFMRZERO-AWEZNQCLSA-N 2 2 309.370 -1.359 20 0 DAADLP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001393696643 924246823 /nfs/dbraw/zinc/24/68/23/924246823.db2.gz NLCGWZZFMRZERO-CQSZACIVSA-N 2 2 309.370 -1.359 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001393838919 924261735 /nfs/dbraw/zinc/26/17/35/924261735.db2.gz DNRAIALTDCLART-GFCCVEGCSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001393838919 924261748 /nfs/dbraw/zinc/26/17/48/924261748.db2.gz DNRAIALTDCLART-GFCCVEGCSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001393838921 924261782 /nfs/dbraw/zinc/26/17/82/924261782.db2.gz DNRAIALTDCLART-LBPRGKRZSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001393838921 924261794 /nfs/dbraw/zinc/26/17/94/924261794.db2.gz DNRAIALTDCLART-LBPRGKRZSA-N 2 2 301.387 -1.748 20 0 DAADLP CC[C@@H](C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1)[NH+](C)C ZINC001393851760 924264456 /nfs/dbraw/zinc/26/44/56/924264456.db2.gz DIGHAVAWWAYAGD-NSHDSACASA-N 2 2 300.403 -1.245 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047515 924274543 /nfs/dbraw/zinc/27/45/43/924274543.db2.gz OATNOQOILTZWQF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N1CCC1 ZINC001394047515 924274549 /nfs/dbraw/zinc/27/45/49/924274549.db2.gz OATNOQOILTZWQF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047515 924274557 /nfs/dbraw/zinc/27/45/57/924274557.db2.gz OATNOQOILTZWQF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047515 924274565 /nfs/dbraw/zinc/27/45/65/924274565.db2.gz OATNOQOILTZWQF-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139998 924282910 /nfs/dbraw/zinc/28/29/10/924282910.db2.gz JYCLAFGWNLRUOU-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC)C1 ZINC001394139998 924282917 /nfs/dbraw/zinc/28/29/17/924282917.db2.gz JYCLAFGWNLRUOU-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)C1 ZINC001394139998 924282922 /nfs/dbraw/zinc/28/29/22/924282922.db2.gz JYCLAFGWNLRUOU-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)C1 ZINC001394139998 924282931 /nfs/dbraw/zinc/28/29/31/924282931.db2.gz JYCLAFGWNLRUOU-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001394313530 924297205 /nfs/dbraw/zinc/29/72/05/924297205.db2.gz HMBIBIXFGQUXFE-FQUUOJAGSA-N 2 2 324.425 -1.253 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001394313530 924297211 /nfs/dbraw/zinc/29/72/11/924297211.db2.gz HMBIBIXFGQUXFE-FQUUOJAGSA-N 2 2 324.425 -1.253 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001394313530 924297219 /nfs/dbraw/zinc/29/72/19/924297219.db2.gz HMBIBIXFGQUXFE-FQUUOJAGSA-N 2 2 324.425 -1.253 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001394313530 924297227 /nfs/dbraw/zinc/29/72/27/924297227.db2.gz HMBIBIXFGQUXFE-FQUUOJAGSA-N 2 2 324.425 -1.253 20 0 DAADLP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001394572134 924312027 /nfs/dbraw/zinc/31/20/27/924312027.db2.gz OHSNNZHUSDUPQR-DGCLKSJQSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001394572134 924312035 /nfs/dbraw/zinc/31/20/35/924312035.db2.gz OHSNNZHUSDUPQR-DGCLKSJQSA-N 2 2 311.386 -1.683 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575637 924313350 /nfs/dbraw/zinc/31/33/50/924313350.db2.gz YYTAWELYNWPCGF-VXGBXAGGSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001394575637 924313354 /nfs/dbraw/zinc/31/33/54/924313354.db2.gz YYTAWELYNWPCGF-VXGBXAGGSA-N 2 2 314.386 -2.338 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573675 924314574 /nfs/dbraw/zinc/31/45/74/924314574.db2.gz UGYCFUWJKDOYNJ-KBPBESRZSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)C1 ZINC001394573675 924314583 /nfs/dbraw/zinc/31/45/83/924314583.db2.gz UGYCFUWJKDOYNJ-KBPBESRZSA-N 2 2 308.382 -1.021 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001394578423 924318318 /nfs/dbraw/zinc/31/83/18/924318318.db2.gz LPYLQUSSVLRHDP-STQMWFEESA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001394578423 924318325 /nfs/dbraw/zinc/31/83/25/924318325.db2.gz LPYLQUSSVLRHDP-STQMWFEESA-N 2 2 312.414 -1.230 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394582181 924320111 /nfs/dbraw/zinc/32/01/11/924320111.db2.gz SFPICMCMPHOZNM-IUCAKERBSA-N 2 2 301.347 -2.658 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001394582181 924320121 /nfs/dbraw/zinc/32/01/21/924320121.db2.gz SFPICMCMPHOZNM-IUCAKERBSA-N 2 2 301.347 -2.658 20 0 DAADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001394584162 924322798 /nfs/dbraw/zinc/32/27/98/924322798.db2.gz PZXKDIFTCXPVBZ-SNVBAGLBSA-N 2 2 314.411 -1.025 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001394587238 924324055 /nfs/dbraw/zinc/32/40/55/924324055.db2.gz OKAYMIGXQDRXRX-QWHCGFSZSA-N 2 2 322.413 -1.276 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001394587249 924324785 /nfs/dbraw/zinc/32/47/85/924324785.db2.gz OKAYMIGXQDRXRX-STQMWFEESA-N 2 2 322.413 -1.276 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001394592664 924328198 /nfs/dbraw/zinc/32/81/98/924328198.db2.gz ZXUUMCBFZGIZQX-ZIAGYGMSSA-N 2 2 322.413 -1.276 20 0 DAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001394592644 924328239 /nfs/dbraw/zinc/32/82/39/924328239.db2.gz ZXUUMCBFZGIZQX-KBPBESRZSA-N 2 2 322.413 -1.276 20 0 DAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001394592660 924328829 /nfs/dbraw/zinc/32/88/29/924328829.db2.gz ZXUUMCBFZGIZQX-UONOGXRCSA-N 2 2 322.413 -1.276 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001394618979 924342046 /nfs/dbraw/zinc/34/20/46/924342046.db2.gz RJOIFKRZMBMFTR-NWDGAFQWSA-N 2 2 300.403 -1.327 20 0 DAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001394618979 924342055 /nfs/dbraw/zinc/34/20/55/924342055.db2.gz RJOIFKRZMBMFTR-NWDGAFQWSA-N 2 2 300.403 -1.327 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001394624418 924343785 /nfs/dbraw/zinc/34/37/85/924343785.db2.gz NYWLIMLLGWXSMZ-STQMWFEESA-N 2 2 312.414 -1.184 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001394624418 924343794 /nfs/dbraw/zinc/34/37/94/924343794.db2.gz NYWLIMLLGWXSMZ-STQMWFEESA-N 2 2 312.414 -1.184 20 0 DAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C2 ZINC001394637572 924348752 /nfs/dbraw/zinc/34/87/52/924348752.db2.gz QJMVUSYQBASSFH-WDEREUQCSA-N 2 2 309.370 -1.694 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634773 924348983 /nfs/dbraw/zinc/34/89/83/924348983.db2.gz KUVZQIBSHQDGPZ-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)C1 ZINC001394634773 924348992 /nfs/dbraw/zinc/34/89/92/924348992.db2.gz KUVZQIBSHQDGPZ-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(N)=O ZINC001394639776 924349079 /nfs/dbraw/zinc/34/90/79/924349079.db2.gz ACKRXEJLSLSUSM-RYUDHWBXSA-N 2 2 300.403 -1.341 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001394642040 924350329 /nfs/dbraw/zinc/35/03/29/924350329.db2.gz AVQTVDOIOMAVQM-NEPJUHHUSA-N 2 2 316.402 -2.090 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001394642040 924350337 /nfs/dbraw/zinc/35/03/37/924350337.db2.gz AVQTVDOIOMAVQM-NEPJUHHUSA-N 2 2 316.402 -2.090 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394652269 924354357 /nfs/dbraw/zinc/35/43/57/924354357.db2.gz LWLHGYUONZCBIN-NWDGAFQWSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394652269 924354365 /nfs/dbraw/zinc/35/43/65/924354365.db2.gz LWLHGYUONZCBIN-NWDGAFQWSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394652272 924355545 /nfs/dbraw/zinc/35/55/45/924355545.db2.gz LWLHGYUONZCBIN-RYUDHWBXSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394652272 924355552 /nfs/dbraw/zinc/35/55/52/924355552.db2.gz LWLHGYUONZCBIN-RYUDHWBXSA-N 2 2 310.402 -1.276 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001395759605 924465287 /nfs/dbraw/zinc/46/52/87/924465287.db2.gz ZAYRKTBIYQTMFI-GFCCVEGCSA-N 2 2 309.370 -1.428 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817077 924486070 /nfs/dbraw/zinc/48/60/70/924486070.db2.gz JMKFUCWYEMTZSV-ZYHUDNBSSA-N 2 2 309.370 -1.503 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001395817077 924486075 /nfs/dbraw/zinc/48/60/75/924486075.db2.gz JMKFUCWYEMTZSV-ZYHUDNBSSA-N 2 2 309.370 -1.503 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001397150552 924559607 /nfs/dbraw/zinc/55/96/07/924559607.db2.gz RQNDDLZJJGOANH-MGCOHNPYSA-N 2 2 308.342 -1.438 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001400605852 924816911 /nfs/dbraw/zinc/81/69/11/924816911.db2.gz QCNISRDODZCKOS-YNEHKIRRSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001400605852 924816922 /nfs/dbraw/zinc/81/69/22/924816922.db2.gz QCNISRDODZCKOS-YNEHKIRRSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001400605852 924816933 /nfs/dbraw/zinc/81/69/33/924816933.db2.gz QCNISRDODZCKOS-YNEHKIRRSA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@H](O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001400605852 924816943 /nfs/dbraw/zinc/81/69/43/924816943.db2.gz QCNISRDODZCKOS-YNEHKIRRSA-N 2 2 301.387 -1.485 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001400630615 924818532 /nfs/dbraw/zinc/81/85/32/924818532.db2.gz OVSWAMQYEXXLJT-ONGXEEELSA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001400630615 924818537 /nfs/dbraw/zinc/81/85/37/924818537.db2.gz OVSWAMQYEXXLJT-ONGXEEELSA-N 2 2 322.369 -1.035 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001400685226 924823829 /nfs/dbraw/zinc/82/38/29/924823829.db2.gz CUODFLNXEMAMTH-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001400685226 924823842 /nfs/dbraw/zinc/82/38/42/924823842.db2.gz CUODFLNXEMAMTH-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001400685227 924825547 /nfs/dbraw/zinc/82/55/47/924825547.db2.gz CUODFLNXEMAMTH-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001400685227 924825558 /nfs/dbraw/zinc/82/55/58/924825558.db2.gz CUODFLNXEMAMTH-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400742032 924829491 /nfs/dbraw/zinc/82/94/91/924829491.db2.gz RVXVLZFNJCHCOW-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400742032 924829499 /nfs/dbraw/zinc/82/94/99/924829499.db2.gz RVXVLZFNJCHCOW-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001400931001 924837271 /nfs/dbraw/zinc/83/72/71/924837271.db2.gz SUHKXVAOAQONQQ-NXEZZACHSA-N 2 2 310.358 -1.049 20 0 DAADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001400931013 924837440 /nfs/dbraw/zinc/83/74/40/924837440.db2.gz SUHKXVAOAQONQQ-UWVGGRQHSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401265349 924853961 /nfs/dbraw/zinc/85/39/61/924853961.db2.gz DKHISXPIMBVHDA-UWVGGRQHSA-N 2 2 310.358 -1.097 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401492492 924865788 /nfs/dbraw/zinc/86/57/88/924865788.db2.gz IDTRPGLZGPQXTL-NEPJUHHUSA-N 2 2 323.401 -1.331 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401492492 924865795 /nfs/dbraw/zinc/86/57/95/924865795.db2.gz IDTRPGLZGPQXTL-NEPJUHHUSA-N 2 2 323.401 -1.331 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401502379 924871250 /nfs/dbraw/zinc/87/12/50/924871250.db2.gz GHIFIEXNFXIGMO-QWRGUYRKSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401502379 924871254 /nfs/dbraw/zinc/87/12/54/924871254.db2.gz GHIFIEXNFXIGMO-QWRGUYRKSA-N 2 2 312.374 -2.288 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001401546241 924881258 /nfs/dbraw/zinc/88/12/58/924881258.db2.gz TWFIZLJREPUXGZ-JQWIXIFHSA-N 2 2 309.370 -1.742 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)c[nH+]1 ZINC001401548613 924884648 /nfs/dbraw/zinc/88/46/48/924884648.db2.gz YLMMSINDYGSVIP-NWDGAFQWSA-N 2 2 323.397 -1.118 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401561407 924892933 /nfs/dbraw/zinc/89/29/33/924892933.db2.gz UAWZQOGBDNZYQB-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001401573834 924896090 /nfs/dbraw/zinc/89/60/90/924896090.db2.gz OFWXEZPCQMVGKW-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001401572200 924896266 /nfs/dbraw/zinc/89/62/66/924896266.db2.gz UXETUPFFGSQVNE-MNOVXSKESA-N 2 2 309.370 -1.394 20 0 DAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001401574544 924898637 /nfs/dbraw/zinc/89/86/37/924898637.db2.gz UKDGBUUMXABXKE-LLVKDONJSA-N 2 2 307.358 -1.115 20 0 DAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001401574550 924898849 /nfs/dbraw/zinc/89/88/49/924898849.db2.gz UKDGBUUMXABXKE-NSHDSACASA-N 2 2 307.358 -1.115 20 0 DAADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401596305 924903134 /nfs/dbraw/zinc/90/31/34/924903134.db2.gz ISAOMBXUJKJWBL-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401596305 924903143 /nfs/dbraw/zinc/90/31/43/924903143.db2.gz ISAOMBXUJKJWBL-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401596316 924904113 /nfs/dbraw/zinc/90/41/13/924904113.db2.gz ISAOMBXUJKJWBL-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401596316 924904124 /nfs/dbraw/zinc/90/41/24/924904124.db2.gz ISAOMBXUJKJWBL-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401659119 924912747 /nfs/dbraw/zinc/91/27/47/924912747.db2.gz NSVOHSROWGIVJS-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401726307 924916168 /nfs/dbraw/zinc/91/61/68/924916168.db2.gz HQKYEDZSSFMSCP-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001401702269 924916275 /nfs/dbraw/zinc/91/62/75/924916275.db2.gz MDQCKCVGPQWNHZ-IVZWLZJFSA-N 2 2 322.369 -1.187 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001401872540 924926663 /nfs/dbraw/zinc/92/66/63/924926663.db2.gz LVOLNSWRYXWDBR-NSHDSACASA-N 2 2 322.369 -1.177 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402292863 924966135 /nfs/dbraw/zinc/96/61/35/924966135.db2.gz ODBGZSAWBXFCCQ-WFASDCNBSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402292863 924966143 /nfs/dbraw/zinc/96/61/43/924966143.db2.gz ODBGZSAWBXFCCQ-WFASDCNBSA-N 2 2 312.414 -1.230 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402311033 924973462 /nfs/dbraw/zinc/97/34/62/924973462.db2.gz JKMFTAUNLNTYET-IUODEOHRSA-N 2 2 321.381 -1.367 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402311033 924973468 /nfs/dbraw/zinc/97/34/68/924973468.db2.gz JKMFTAUNLNTYET-IUODEOHRSA-N 2 2 321.381 -1.367 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001402464580 925000355 /nfs/dbraw/zinc/00/03/55/925000355.db2.gz LMKBQDKATVVNEW-NWDGAFQWSA-N 2 2 323.397 -1.270 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001402480040 925003256 /nfs/dbraw/zinc/00/32/56/925003256.db2.gz XUSSBVZDYVHFNO-JTQLQIEISA-N 2 2 311.386 -1.028 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001402598146 925015269 /nfs/dbraw/zinc/01/52/69/925015269.db2.gz LSUYBOMQSBGKPV-CYBMUJFWSA-N 2 2 323.397 -1.132 20 0 DAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402611744 925018026 /nfs/dbraw/zinc/01/80/26/925018026.db2.gz XETZBFGLPNQSGR-ZYHUDNBSSA-N 2 2 309.370 -1.096 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(=O)NC(N)=O ZINC001402936785 925042456 /nfs/dbraw/zinc/04/24/56/925042456.db2.gz KCUQAZIWMMJEBU-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(=O)NC(N)=O ZINC001402936790 925042716 /nfs/dbraw/zinc/04/27/16/925042716.db2.gz KCUQAZIWMMJEBU-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001403064152 925048717 /nfs/dbraw/zinc/04/87/17/925048717.db2.gz YGFGWIXQFWDEHX-IUCAKERBSA-N 2 2 310.358 -1.109 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001403321138 925070713 /nfs/dbraw/zinc/07/07/13/925070713.db2.gz IZYYMKSBSPRTCG-JTQLQIEISA-N 2 2 313.402 -1.170 20 0 DAADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403333751 925073216 /nfs/dbraw/zinc/07/32/16/925073216.db2.gz VQIMFROKKFOMOJ-GXSJLCMTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403333751 925073221 /nfs/dbraw/zinc/07/32/21/925073221.db2.gz VQIMFROKKFOMOJ-GXSJLCMTSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001403590202 925089651 /nfs/dbraw/zinc/08/96/51/925089651.db2.gz YNAWDNGYNXKBNQ-SNVBAGLBSA-N 2 2 310.358 -1.095 20 0 DAADLP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403627298 925090433 /nfs/dbraw/zinc/09/04/33/925090433.db2.gz JBJDJTWOHYVIIW-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403627298 925090441 /nfs/dbraw/zinc/09/04/41/925090441.db2.gz JBJDJTWOHYVIIW-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001403649427 925096252 /nfs/dbraw/zinc/09/62/52/925096252.db2.gz KIVRTEXUZZAXRW-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403649427 925096261 /nfs/dbraw/zinc/09/62/61/925096261.db2.gz KIVRTEXUZZAXRW-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001403654801 925100914 /nfs/dbraw/zinc/10/09/14/925100914.db2.gz ABQCVWPRZMWPRZ-GFCCVEGCSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001403654801 925100918 /nfs/dbraw/zinc/10/09/18/925100918.db2.gz ABQCVWPRZMWPRZ-GFCCVEGCSA-N 2 2 310.402 -1.134 20 0 DAADLP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403660045 925102408 /nfs/dbraw/zinc/10/24/08/925102408.db2.gz NUQZUHIFVHCXCR-RYUDHWBXSA-N 2 2 316.402 -2.090 20 0 DAADLP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403660045 925102414 /nfs/dbraw/zinc/10/24/14/925102414.db2.gz NUQZUHIFVHCXCR-RYUDHWBXSA-N 2 2 316.402 -2.090 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001403705390 925122795 /nfs/dbraw/zinc/12/27/95/925122795.db2.gz JKOOBCZNTATQHV-VXGBXAGGSA-N 2 2 323.397 -1.433 20 0 DAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001403704121 925123200 /nfs/dbraw/zinc/12/32/00/925123200.db2.gz JKOOBCZNTATQHV-NWDGAFQWSA-N 2 2 323.397 -1.433 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001403717619 925127930 /nfs/dbraw/zinc/12/79/30/925127930.db2.gz HOXDQMKPLFOJOS-LBPRGKRZSA-N 2 2 323.397 -1.348 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001403735936 925135058 /nfs/dbraw/zinc/13/50/58/925135058.db2.gz VBCQRECIPWKSHA-NSHDSACASA-N 2 2 309.370 -1.738 20 0 DAADLP CC(C)N1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001403752830 925137324 /nfs/dbraw/zinc/13/73/24/925137324.db2.gz SLNOXQZCAWUVBQ-QWHCGFSZSA-N 2 2 323.397 -1.041 20 0 DAADLP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001403781891 925141529 /nfs/dbraw/zinc/14/15/29/925141529.db2.gz YTVAQXAJKYNKFR-KOLCDFICSA-N 2 2 322.369 -1.264 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1[nH+]ccn1C ZINC001403842350 925152282 /nfs/dbraw/zinc/15/22/82/925152282.db2.gz BFPRETUXWRCKBZ-NEPJUHHUSA-N 2 2 323.397 -1.350 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001403856964 925155471 /nfs/dbraw/zinc/15/54/71/925155471.db2.gz SOSSAUKCOINDMR-PWSUYJOCSA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403858476 925155596 /nfs/dbraw/zinc/15/55/96/925155596.db2.gz WMGVGVYZYDWQEG-MNOVXSKESA-N 2 2 309.370 -1.660 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403866833 925157378 /nfs/dbraw/zinc/15/73/78/925157378.db2.gz FAIPJDMQNIDSGW-LBPRGKRZSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403913024 925174060 /nfs/dbraw/zinc/17/40/60/925174060.db2.gz DIHKZJUFZQQIEO-QWHCGFSZSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403913024 925174064 /nfs/dbraw/zinc/17/40/64/925174064.db2.gz DIHKZJUFZQQIEO-QWHCGFSZSA-N 2 2 323.397 -1.018 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001405016480 925232965 /nfs/dbraw/zinc/23/29/65/925232965.db2.gz KLEYSHQEFBMQJZ-JTQLQIEISA-N 2 2 311.386 -1.286 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001405016480 925232972 /nfs/dbraw/zinc/23/29/72/925232972.db2.gz KLEYSHQEFBMQJZ-JTQLQIEISA-N 2 2 311.386 -1.286 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405124061 925242012 /nfs/dbraw/zinc/24/20/12/925242012.db2.gz RKDROWDOLBLBQP-LLVKDONJSA-N 2 2 313.402 -1.074 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001405124061 925242022 /nfs/dbraw/zinc/24/20/22/925242022.db2.gz RKDROWDOLBLBQP-LLVKDONJSA-N 2 2 313.402 -1.074 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405282756 925277972 /nfs/dbraw/zinc/27/79/72/925277972.db2.gz KQLMZZWXPNJJFZ-LBPRGKRZSA-N 2 2 309.370 -1.428 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334853 925290399 /nfs/dbraw/zinc/29/03/99/925290399.db2.gz LRFLZORHFCWSLI-RYUDHWBXSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001405334853 925290404 /nfs/dbraw/zinc/29/04/04/925290404.db2.gz LRFLZORHFCWSLI-RYUDHWBXSA-N 2 2 323.397 -1.113 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001405342291 925291521 /nfs/dbraw/zinc/29/15/21/925291521.db2.gz KOSFKYPLPPCYFK-AAEUAGOBSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001405342291 925291532 /nfs/dbraw/zinc/29/15/32/925291532.db2.gz KOSFKYPLPPCYFK-AAEUAGOBSA-N 2 2 323.397 -1.052 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001405609183 925322379 /nfs/dbraw/zinc/32/23/79/925322379.db2.gz LIEDPHARIGBKAJ-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001405609183 925322388 /nfs/dbraw/zinc/32/23/88/925322388.db2.gz LIEDPHARIGBKAJ-STQMWFEESA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001405609178 925322462 /nfs/dbraw/zinc/32/24/62/925322462.db2.gz LIEDPHARIGBKAJ-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001405609178 925322468 /nfs/dbraw/zinc/32/24/68/925322468.db2.gz LIEDPHARIGBKAJ-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001406243707 925370883 /nfs/dbraw/zinc/37/08/83/925370883.db2.gz KKBMDYAGEMDSJX-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2c[nH+]cn2C)C1=O ZINC001406270229 925389196 /nfs/dbraw/zinc/38/91/96/925389196.db2.gz APWYQSMPRRNWCU-QWHCGFSZSA-N 2 2 323.397 -1.350 20 0 DAADLP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001406322097 925401728 /nfs/dbraw/zinc/40/17/28/925401728.db2.gz BHIUNNXMWNVLOV-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001406493738 925418321 /nfs/dbraw/zinc/41/83/21/925418321.db2.gz RUQSAAAXAJTGJN-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001406540957 925422372 /nfs/dbraw/zinc/42/23/72/925422372.db2.gz BHVRYZNDPRGVTQ-JTQLQIEISA-N 2 2 308.386 -1.202 20 0 DAADLP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001406903773 925443950 /nfs/dbraw/zinc/44/39/50/925443950.db2.gz CKJIXRALGCVASV-LBPRGKRZSA-N 2 2 308.386 -1.116 20 0 DAADLP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001406903773 925443956 /nfs/dbraw/zinc/44/39/56/925443956.db2.gz CKJIXRALGCVASV-LBPRGKRZSA-N 2 2 308.386 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925478848 /nfs/dbraw/zinc/47/88/48/925478848.db2.gz VYQSWUNOOIMAPS-IUODEOHRSA-N 2 2 308.382 -1.009 20 0 DAADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001407429665 925491282 /nfs/dbraw/zinc/49/12/82/925491282.db2.gz JOKQZJFQPLXWPS-ZDUSSCGKSA-N 2 2 315.414 -1.094 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001407581496 925507588 /nfs/dbraw/zinc/50/75/88/925507588.db2.gz CUEUMUYLAAGFNI-UHFFFAOYSA-N 2 2 322.413 -1.382 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CC(N)=O)C1 ZINC001407631008 925511567 /nfs/dbraw/zinc/51/15/67/925511567.db2.gz RIXYREYKZYJQPS-AWEZNQCLSA-N 2 2 300.403 -1.243 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CC(N)=O)C1 ZINC001407631008 925511577 /nfs/dbraw/zinc/51/15/77/925511577.db2.gz RIXYREYKZYJQPS-AWEZNQCLSA-N 2 2 300.403 -1.243 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001407631008 925511589 /nfs/dbraw/zinc/51/15/89/925511589.db2.gz RIXYREYKZYJQPS-AWEZNQCLSA-N 2 2 300.403 -1.243 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001407631008 925511595 /nfs/dbraw/zinc/51/15/95/925511595.db2.gz RIXYREYKZYJQPS-AWEZNQCLSA-N 2 2 300.403 -1.243 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001407659660 925516339 /nfs/dbraw/zinc/51/63/39/925516339.db2.gz NGIHNHHPPLLZKA-ZDUSSCGKSA-N 2 2 323.397 -1.348 20 0 DAADLP CC(C)(C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001407867943 925531877 /nfs/dbraw/zinc/53/18/77/925531877.db2.gz MVCJPKBPNUIJGX-SNVBAGLBSA-N 2 2 309.370 -1.010 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001407869110 925532398 /nfs/dbraw/zinc/53/23/98/925532398.db2.gz UUIKDHYGZJMZAD-NSHDSACASA-N 2 2 309.370 -1.345 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407854377 925532826 /nfs/dbraw/zinc/53/28/26/925532826.db2.gz PYIIFRVFYPKFBX-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001409676655 925641679 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20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001410774253 925775286 /nfs/dbraw/zinc/77/52/86/925775286.db2.gz CUCGYGXEMGUSLR-YPMHNXCESA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001410774251 925776298 /nfs/dbraw/zinc/77/62/98/925776298.db2.gz CUCGYGXEMGUSLR-WCQYABFASA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410784058 925780746 /nfs/dbraw/zinc/78/07/46/925780746.db2.gz SBIKGECRDSIUFV-JQWIXIFHSA-N 2 2 309.370 -1.692 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001410784875 925782895 /nfs/dbraw/zinc/78/28/95/925782895.db2.gz JWYRNSVYJMVSKO-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001410807470 925784178 /nfs/dbraw/zinc/78/41/78/925784178.db2.gz XWYUTYKOSMVPLE-AAEUAGOBSA-N 2 2 312.418 -1.032 20 0 DAADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)c[nH+]1 ZINC001411086046 925811739 /nfs/dbraw/zinc/81/17/39/925811739.db2.gz RKXKQQUZIBBAPZ-NSHDSACASA-N 2 2 311.386 -1.179 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCCn1cc[nH+]c1 ZINC001411129702 925814890 /nfs/dbraw/zinc/81/48/90/925814890.db2.gz RIVWRZUFYOFRHY-OLZOCXBDSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCCn1cc[nH+]c1 ZINC001411129691 925814924 /nfs/dbraw/zinc/81/49/24/925814924.db2.gz RIVWRZUFYOFRHY-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001411124096 925816920 /nfs/dbraw/zinc/81/69/20/925816920.db2.gz JGXRZUTTZCZQHV-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001411134027 925818441 /nfs/dbraw/zinc/81/84/41/925818441.db2.gz WPUUCMINNQMXLH-NWDGAFQWSA-N 2 2 311.386 -1.231 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)C1 ZINC001411192304 925830519 /nfs/dbraw/zinc/83/05/19/925830519.db2.gz YVFLWPDICAVLNB-NWDGAFQWSA-N 2 2 316.402 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ZINC001412898009 925978286 /nfs/dbraw/zinc/97/82/86/925978286.db2.gz IKEUBMGAWIEDPM-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001412898009 925978295 /nfs/dbraw/zinc/97/82/95/925978295.db2.gz IKEUBMGAWIEDPM-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001412916711 925983727 /nfs/dbraw/zinc/98/37/27/925983727.db2.gz MZPZDKDEAQCBHH-CYBMUJFWSA-N 2 2 323.397 -1.038 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001412959111 925993096 /nfs/dbraw/zinc/99/30/96/925993096.db2.gz PGPYDOMZJDKFCA-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001412959111 925993099 /nfs/dbraw/zinc/99/30/99/925993099.db2.gz PGPYDOMZJDKFCA-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341238 926038669 /nfs/dbraw/zinc/03/86/69/926038669.db2.gz QCNYFNWFNYFQHD-DGCLKSJQSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001413341238 926038682 /nfs/dbraw/zinc/03/86/82/926038682.db2.gz QCNYFNWFNYFQHD-DGCLKSJQSA-N 2 2 323.397 -1.161 20 0 DAADLP CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O)[NH+](C)C ZINC001413977453 926092567 /nfs/dbraw/zinc/09/25/67/926092567.db2.gz YAXIBGOJCRPVIJ-JHJVBQTASA-N 2 2 323.397 -1.020 20 0 DAADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001414071561 926106051 /nfs/dbraw/zinc/10/60/51/926106051.db2.gz UVFCSIXRIXJZPK-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001414071561 926106056 /nfs/dbraw/zinc/10/60/56/926106056.db2.gz UVFCSIXRIXJZPK-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001414068521 926106333 /nfs/dbraw/zinc/10/63/33/926106333.db2.gz NDUSGTLOALOLIE-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416738582 926257137 /nfs/dbraw/zinc/25/71/37/926257137.db2.gz FMIHZFPSKWYSIB-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416738582 926257144 /nfs/dbraw/zinc/25/71/44/926257144.db2.gz FMIHZFPSKWYSIB-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740422 926258482 /nfs/dbraw/zinc/25/84/82/926258482.db2.gz KIPAWYMSXCHDNL-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001416740422 926258494 /nfs/dbraw/zinc/25/84/94/926258494.db2.gz KIPAWYMSXCHDNL-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001416769954 926270263 /nfs/dbraw/zinc/27/02/63/926270263.db2.gz LPMXILPZVCCBGY-LBPRGKRZSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001416769951 926270929 /nfs/dbraw/zinc/27/09/29/926270929.db2.gz LPMXILPZVCCBGY-GFCCVEGCSA-N 2 2 323.397 -1.113 20 0 DAADLP CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001416774612 926273545 /nfs/dbraw/zinc/27/35/45/926273545.db2.gz ODAWBNCRQKBBQW-MNOVXSKESA-N 2 2 311.386 -1.114 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001416779528 926274677 /nfs/dbraw/zinc/27/46/77/926274677.db2.gz ROEQURANJIYAOP-LBPRGKRZSA-N 2 2 321.381 -1.359 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417928197 926351242 /nfs/dbraw/zinc/35/12/42/926351242.db2.gz JTIHFYIULBELNF-CQSZACIVSA-N 2 2 314.430 -1.567 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417928197 926351252 /nfs/dbraw/zinc/35/12/52/926351252.db2.gz JTIHFYIULBELNF-CQSZACIVSA-N 2 2 314.430 -1.567 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001417949402 926354147 /nfs/dbraw/zinc/35/41/47/926354147.db2.gz OVSWAMQYEXXLJT-GXSJLCMTSA-N 2 2 322.369 -1.035 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001417949402 926354155 /nfs/dbraw/zinc/35/41/55/926354155.db2.gz OVSWAMQYEXXLJT-GXSJLCMTSA-N 2 2 322.369 -1.035 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(=O)NC(N)=O ZINC001418254443 926377879 /nfs/dbraw/zinc/37/78/79/926377879.db2.gz UUHDIOYGXHWBPV-VHSXEESVSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]Cc1nnnn1C ZINC001418288302 926378179 /nfs/dbraw/zinc/37/81/79/926378179.db2.gz ICYAHIAFKMITLX-LLVKDONJSA-N 2 2 311.390 -1.473 20 0 DAADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001418302947 926379663 /nfs/dbraw/zinc/37/96/63/926379663.db2.gz QXQXKTNFVDOQMK-DTWKUNHWSA-N 2 2 310.358 -1.360 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001418302949 926379875 /nfs/dbraw/zinc/37/98/75/926379875.db2.gz QXQXKTNFVDOQMK-IUCAKERBSA-N 2 2 310.358 -1.360 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001419023242 926445938 /nfs/dbraw/zinc/44/59/38/926445938.db2.gz BVPOBHHFMGETTK-LLVKDONJSA-N 2 2 311.386 -1.286 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001419023242 926445941 /nfs/dbraw/zinc/44/59/41/926445941.db2.gz BVPOBHHFMGETTK-LLVKDONJSA-N 2 2 311.386 -1.286 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001419029618 926448068 /nfs/dbraw/zinc/44/80/68/926448068.db2.gz JJYFPTUJKWZMSD-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001419075654 926453510 /nfs/dbraw/zinc/45/35/10/926453510.db2.gz QCNISRDODZCKOS-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001419075654 926453514 /nfs/dbraw/zinc/45/35/14/926453514.db2.gz QCNISRDODZCKOS-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419075654 926453519 /nfs/dbraw/zinc/45/35/19/926453519.db2.gz QCNISRDODZCKOS-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419075654 926453528 /nfs/dbraw/zinc/45/35/28/926453528.db2.gz QCNISRDODZCKOS-UPJWGTAASA-N 2 2 301.387 -1.485 20 0 DAADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001419233534 926468512 /nfs/dbraw/zinc/46/85/12/926468512.db2.gz XPMQVGZRGCTNFT-SNVBAGLBSA-N 2 2 310.358 -1.048 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001419409003 926477591 /nfs/dbraw/zinc/47/75/91/926477591.db2.gz KHLLIBZPPHNOBJ-MGCOHNPYSA-N 2 2 322.369 -1.216 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001419511161 926481478 /nfs/dbraw/zinc/48/14/78/926481478.db2.gz JFYGPHXTIVEEMW-BBBLOLIVSA-N 2 2 308.342 -1.297 20 0 DAADLP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581420 926489514 /nfs/dbraw/zinc/48/95/14/926489514.db2.gz WEAYLZYXBYCXIC-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581420 926489517 /nfs/dbraw/zinc/48/95/17/926489517.db2.gz WEAYLZYXBYCXIC-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001419744469 926497060 /nfs/dbraw/zinc/49/70/60/926497060.db2.gz PWTTVNUXVJWCDK-SECBINFHSA-N 2 2 310.358 -1.156 20 0 DAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001419825820 926503949 /nfs/dbraw/zinc/50/39/49/926503949.db2.gz QOHLNZVRSSSVTB-GHMZBOCLSA-N 2 2 322.369 -1.095 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001419958238 926511766 /nfs/dbraw/zinc/51/17/66/926511766.db2.gz TXDWQHWLPSHRPF-SNVBAGLBSA-N 2 2 322.369 -1.034 20 0 DAADLP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001420083677 926521217 /nfs/dbraw/zinc/52/12/17/926521217.db2.gz XJMNIMWDNDPKGG-MNOVXSKESA-N 2 2 311.390 -1.475 20 0 DAADLP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nnnn1C ZINC001420083677 926521223 /nfs/dbraw/zinc/52/12/23/926521223.db2.gz XJMNIMWDNDPKGG-MNOVXSKESA-N 2 2 311.390 -1.475 20 0 DAADLP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001420108103 926525603 /nfs/dbraw/zinc/52/56/03/926525603.db2.gz KEIMUPTXQBGWJF-CHWSQXEVSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001420108103 926525610 /nfs/dbraw/zinc/52/56/10/926525610.db2.gz KEIMUPTXQBGWJF-CHWSQXEVSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420142583 926540422 /nfs/dbraw/zinc/54/04/22/926540422.db2.gz FHYRTXHFGBQJDO-NWDGAFQWSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001420142583 926540428 /nfs/dbraw/zinc/54/04/28/926540428.db2.gz FHYRTXHFGBQJDO-NWDGAFQWSA-N 2 2 310.402 -1.134 20 0 DAADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001420166258 926549340 /nfs/dbraw/zinc/54/93/40/926549340.db2.gz CMZNVIHGEPYHSX-NXEZZACHSA-N 2 2 310.358 -1.049 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001420207791 926564898 /nfs/dbraw/zinc/56/48/98/926564898.db2.gz ACMPJTGSDOUAKW-ONGXEEELSA-N 2 2 322.373 -1.457 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001420248481 926570617 /nfs/dbraw/zinc/57/06/17/926570617.db2.gz CMZYQQLQWHCWME-SNVBAGLBSA-N 2 2 308.346 -2.018 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001420248427 926570649 /nfs/dbraw/zinc/57/06/49/926570649.db2.gz CMZYQQLQWHCWME-JTQLQIEISA-N 2 2 308.346 -2.018 20 0 DAADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC)[NH+](C)C ZINC001420252751 926573020 /nfs/dbraw/zinc/57/30/20/926573020.db2.gz LIMDQYZXIZXFLP-SNVBAGLBSA-N 2 2 301.391 -1.170 20 0 DAADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC)[NH+](C)C ZINC001420252751 926573025 /nfs/dbraw/zinc/57/30/25/926573025.db2.gz LIMDQYZXIZXFLP-SNVBAGLBSA-N 2 2 301.391 -1.170 20 0 DAADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC001420284032 926575671 /nfs/dbraw/zinc/57/56/71/926575671.db2.gz KKTKGEVYNUNYAG-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC001420284032 926575678 /nfs/dbraw/zinc/57/56/78/926575678.db2.gz KKTKGEVYNUNYAG-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N1CCOCC1 ZINC001420284032 926575685 /nfs/dbraw/zinc/57/56/85/926575685.db2.gz KKTKGEVYNUNYAG-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N1CCOCC1 ZINC001420284032 926575692 /nfs/dbraw/zinc/57/56/92/926575692.db2.gz KKTKGEVYNUNYAG-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001420385706 926586965 /nfs/dbraw/zinc/58/69/65/926586965.db2.gz HQKYEDZSSFMSCP-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001420724646 926612126 /nfs/dbraw/zinc/61/21/26/926612126.db2.gz DGPDNRCYZCIUTL-VIFPVBQESA-N 2 2 310.358 -1.156 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421287980 926660156 /nfs/dbraw/zinc/66/01/56/926660156.db2.gz MLLMALASMRBMQG-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421287980 926660164 /nfs/dbraw/zinc/66/01/64/926660164.db2.gz MLLMALASMRBMQG-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421252067 926660704 /nfs/dbraw/zinc/66/07/04/926660704.db2.gz FJPJIRHGGWLNDV-JTQLQIEISA-N 2 2 308.342 -1.423 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421252067 926660711 /nfs/dbraw/zinc/66/07/11/926660711.db2.gz FJPJIRHGGWLNDV-JTQLQIEISA-N 2 2 308.342 -1.423 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001421341092 926669092 /nfs/dbraw/zinc/66/90/92/926669092.db2.gz PFGYTSMJULPUJZ-WFASDCNBSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001421341092 926669099 /nfs/dbraw/zinc/66/90/99/926669099.db2.gz PFGYTSMJULPUJZ-WFASDCNBSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421341092 926669107 /nfs/dbraw/zinc/66/91/07/926669107.db2.gz PFGYTSMJULPUJZ-WFASDCNBSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421341092 926669114 /nfs/dbraw/zinc/66/91/14/926669114.db2.gz PFGYTSMJULPUJZ-WFASDCNBSA-N 2 2 312.414 -1.278 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421372844 926680712 /nfs/dbraw/zinc/68/07/12/926680712.db2.gz JSQZZPSLECAGAN-AWEZNQCLSA-N 2 2 309.370 -1.509 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421372844 926680707 /nfs/dbraw/zinc/68/07/07/926680707.db2.gz JSQZZPSLECAGAN-AWEZNQCLSA-N 2 2 309.370 -1.509 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421388479 926684864 /nfs/dbraw/zinc/68/48/64/926684864.db2.gz IDBGSVRWNBHITI-FZMZJTMJSA-N 2 2 307.354 -1.675 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421388479 926684873 /nfs/dbraw/zinc/68/48/73/926684873.db2.gz IDBGSVRWNBHITI-FZMZJTMJSA-N 2 2 307.354 -1.675 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421415115 926693271 /nfs/dbraw/zinc/69/32/71/926693271.db2.gz SOLOKALRDPEBFJ-DOMZBBRYSA-N 2 2 321.381 -1.596 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421415115 926693279 /nfs/dbraw/zinc/69/32/79/926693279.db2.gz SOLOKALRDPEBFJ-DOMZBBRYSA-N 2 2 321.381 -1.596 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](CC(N)=O)C2)CC1 ZINC001421627243 926737729 /nfs/dbraw/zinc/73/77/29/926737729.db2.gz TVXUWEYECNJMTA-HNNXBMFYSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001421627243 926737736 /nfs/dbraw/zinc/73/77/36/926737736.db2.gz TVXUWEYECNJMTA-HNNXBMFYSA-N 2 2 312.414 -1.243 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674492 926741758 /nfs/dbraw/zinc/74/17/58/926741758.db2.gz ISLWIYAVKYVKGK-NEPJUHHUSA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674492 926741773 /nfs/dbraw/zinc/74/17/73/926741773.db2.gz ISLWIYAVKYVKGK-NEPJUHHUSA-N 2 2 310.402 -1.012 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001421802523 926759113 /nfs/dbraw/zinc/75/91/13/926759113.db2.gz FIEBALXLCROFQQ-GFCCVEGCSA-N 2 2 323.397 -1.084 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001422263168 926801999 /nfs/dbraw/zinc/80/19/99/926801999.db2.gz ZDCFZYIRTFIVIE-UHFFFAOYSA-N 2 2 322.369 -1.048 20 0 DAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001422277131 926810380 /nfs/dbraw/zinc/81/03/80/926810380.db2.gz SIVBTLKBPQQFJP-NWDGAFQWSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001422277131 926810392 /nfs/dbraw/zinc/81/03/92/926810392.db2.gz SIVBTLKBPQQFJP-NWDGAFQWSA-N 2 2 312.374 -2.288 20 0 DAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001422314108 926825520 /nfs/dbraw/zinc/82/55/20/926825520.db2.gz JOZJIGHIEXNMMF-LLVKDONJSA-N 2 2 309.370 -1.686 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001422325300 926831446 /nfs/dbraw/zinc/83/14/46/926831446.db2.gz DUVPNGKQJKNMDC-LBPRGKRZSA-N 2 2 307.358 -1.413 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001422342547 926838493 /nfs/dbraw/zinc/83/84/93/926838493.db2.gz KFFWEWQCGNBBFG-VXGBXAGGSA-N 2 2 311.386 -1.183 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001422355122 926848730 /nfs/dbraw/zinc/84/87/30/926848730.db2.gz VKTMCIDURYUHSG-JTQLQIEISA-N 2 2 305.338 -1.011 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001422403440 926868288 /nfs/dbraw/zinc/86/82/88/926868288.db2.gz KJBXWZYGFASBQL-MNOVXSKESA-N 2 2 307.358 -1.161 20 0 DAADLP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422432759 926873826 /nfs/dbraw/zinc/87/38/26/926873826.db2.gz YUAUGSOVNVXTID-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422432759 926873839 /nfs/dbraw/zinc/87/38/39/926873839.db2.gz YUAUGSOVNVXTID-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422432740 926873958 /nfs/dbraw/zinc/87/39/58/926873958.db2.gz YUAUGSOVNVXTID-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422432740 926873964 /nfs/dbraw/zinc/87/39/64/926873964.db2.gz YUAUGSOVNVXTID-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422487002 926876114 /nfs/dbraw/zinc/87/61/14/926876114.db2.gz MCYZQIXTJMEMJV-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422487002 926876131 /nfs/dbraw/zinc/87/61/31/926876131.db2.gz MCYZQIXTJMEMJV-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422487002 926876142 /nfs/dbraw/zinc/87/61/42/926876142.db2.gz MCYZQIXTJMEMJV-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422487002 926876156 /nfs/dbraw/zinc/87/61/56/926876156.db2.gz MCYZQIXTJMEMJV-VXGBXAGGSA-N 2 2 300.403 -1.158 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422478961 926878053 /nfs/dbraw/zinc/87/80/53/926878053.db2.gz XXEVSAVHIQCJQC-VXGBXAGGSA-N 2 2 300.403 -1.063 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422478961 926878066 /nfs/dbraw/zinc/87/80/66/926878066.db2.gz XXEVSAVHIQCJQC-VXGBXAGGSA-N 2 2 300.403 -1.063 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001422588839 926889321 /nfs/dbraw/zinc/88/93/21/926889321.db2.gz HMDODQLJOFPCPJ-ZJUUUORDSA-N 2 2 324.385 -1.099 20 0 DAADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600936 926890720 /nfs/dbraw/zinc/89/07/20/926890720.db2.gz NMPSJLZBEWHWNH-MNOVXSKESA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600936 926890728 /nfs/dbraw/zinc/89/07/28/926890728.db2.gz NMPSJLZBEWHWNH-MNOVXSKESA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600936 926890739 /nfs/dbraw/zinc/89/07/39/926890739.db2.gz NMPSJLZBEWHWNH-MNOVXSKESA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600936 926890746 /nfs/dbraw/zinc/89/07/46/926890746.db2.gz NMPSJLZBEWHWNH-MNOVXSKESA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600951 926891639 /nfs/dbraw/zinc/89/16/39/926891639.db2.gz NMPSJLZBEWHWNH-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600951 926891651 /nfs/dbraw/zinc/89/16/51/926891651.db2.gz NMPSJLZBEWHWNH-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600951 926891661 /nfs/dbraw/zinc/89/16/61/926891661.db2.gz NMPSJLZBEWHWNH-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001422600951 926891672 /nfs/dbraw/zinc/89/16/72/926891672.db2.gz NMPSJLZBEWHWNH-QWRGUYRKSA-N 2 2 310.402 -1.003 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422637315 926898143 /nfs/dbraw/zinc/89/81/43/926898143.db2.gz XXEVSAVHIQCJQC-RYUDHWBXSA-N 2 2 300.403 -1.063 20 0 DAADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422637315 926898157 /nfs/dbraw/zinc/89/81/57/926898157.db2.gz XXEVSAVHIQCJQC-RYUDHWBXSA-N 2 2 300.403 -1.063 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422760291 926914792 /nfs/dbraw/zinc/91/47/92/926914792.db2.gz LRGRZRIQODQGTB-RYUDHWBXSA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001422936044 926931910 /nfs/dbraw/zinc/93/19/10/926931910.db2.gz NSFREQDDMIAHCR-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001422936044 926931915 /nfs/dbraw/zinc/93/19/15/926931915.db2.gz NSFREQDDMIAHCR-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](C[NH+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422936044 926931924 /nfs/dbraw/zinc/93/19/24/926931924.db2.gz NSFREQDDMIAHCR-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H](C[NH+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422936044 926931932 /nfs/dbraw/zinc/93/19/32/926931932.db2.gz NSFREQDDMIAHCR-WDEREUQCSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001423209380 926969702 /nfs/dbraw/zinc/96/97/02/926969702.db2.gz IQHYBWOHBBJWMM-JQWIXIFHSA-N 2 2 323.397 -1.298 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)CC[N@@H+]1C ZINC001423216935 926977413 /nfs/dbraw/zinc/97/74/13/926977413.db2.gz RGRMTQCJEFKETN-KGYLQXTDSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)n2)CC[N@H+]1C ZINC001423216935 926977422 /nfs/dbraw/zinc/97/74/22/926977422.db2.gz RGRMTQCJEFKETN-KGYLQXTDSA-N 2 2 310.402 -1.278 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001423230104 926985352 /nfs/dbraw/zinc/98/53/52/926985352.db2.gz MQHPPZNNHWLSSY-RYUDHWBXSA-N 2 2 323.397 -1.400 20 0 DAADLP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001423241615 926993163 /nfs/dbraw/zinc/99/31/63/926993163.db2.gz LYEPLQMJPHZKAY-GFCCVEGCSA-N 2 2 311.386 -1.263 20 0 DAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423257393 927003310 /nfs/dbraw/zinc/00/33/10/927003310.db2.gz LRSHARYZZNMIRE-JTQLQIEISA-N 2 2 311.390 -1.881 20 0 DAADLP CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001423291982 927014134 /nfs/dbraw/zinc/01/41/34/927014134.db2.gz GMFWEESZDQDBNE-LLVKDONJSA-N 2 2 323.397 -1.350 20 0 DAADLP CN(C(=O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001423291986 927015300 /nfs/dbraw/zinc/01/53/00/927015300.db2.gz GMFWEESZDQDBNE-NSHDSACASA-N 2 2 323.397 -1.350 20 0 DAADLP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001423304493 927022932 /nfs/dbraw/zinc/02/29/32/927022932.db2.gz OIDJBTJDRWKRNW-CHWSQXEVSA-N 2 2 312.414 -1.327 20 0 DAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001423305980 927026606 /nfs/dbraw/zinc/02/66/06/927026606.db2.gz ZEPRJGHMBHJJAI-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001423305980 927026619 /nfs/dbraw/zinc/02/66/19/927026619.db2.gz ZEPRJGHMBHJJAI-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001423312362 927030006 /nfs/dbraw/zinc/03/00/06/927030006.db2.gz VMXGAZIQCZRSSW-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423344909 927033663 /nfs/dbraw/zinc/03/36/63/927033663.db2.gz HKTNRCQXEYZXLN-WPRPVWTQSA-N 2 2 308.342 -1.274 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001423455346 927058364 /nfs/dbraw/zinc/05/83/64/927058364.db2.gz BILOESCILFLSLZ-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC001423486258 927072318 /nfs/dbraw/zinc/07/23/18/927072318.db2.gz DUOSFKWGIGJBML-ZDUSSCGKSA-N 2 2 323.397 -1.087 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001423484691 927075591 /nfs/dbraw/zinc/07/55/91/927075591.db2.gz OULDPMZGRSYIMK-LBPRGKRZSA-N 2 2 323.397 -1.098 20 0 DAADLP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cn1cc[nH+]c1 ZINC001423493356 927078835 /nfs/dbraw/zinc/07/88/35/927078835.db2.gz VKALMRMLVKQIMZ-GFCCVEGCSA-N 2 2 307.358 -1.379 20 0 DAADLP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001423547227 927094432 /nfs/dbraw/zinc/09/44/32/927094432.db2.gz LDDSQQMIWHXZHB-GFCCVEGCSA-N 2 2 311.386 -1.311 20 0 DAADLP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001423547227 927094444 /nfs/dbraw/zinc/09/44/44/927094444.db2.gz LDDSQQMIWHXZHB-GFCCVEGCSA-N 2 2 311.386 -1.311 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423737104 927108900 /nfs/dbraw/zinc/10/89/00/927108900.db2.gz FFDWFEZNESAQBY-DZGCQCFKSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423737104 927108905 /nfs/dbraw/zinc/10/89/05/927108905.db2.gz FFDWFEZNESAQBY-DZGCQCFKSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423737104 927108910 /nfs/dbraw/zinc/10/89/10/927108910.db2.gz FFDWFEZNESAQBY-DZGCQCFKSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 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ZINC001440844452 928745882 /nfs/dbraw/zinc/74/58/82/928745882.db2.gz ASDBNVCZVJCWSZ-ZJUUUORDSA-N 2 2 307.358 -1.012 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001441070367 928766390 /nfs/dbraw/zinc/76/63/90/928766390.db2.gz ZPVKWUMADAEYKO-CYBMUJFWSA-N 2 2 323.441 -1.310 20 0 DAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](CO)[NH2+]CCO)[nH]n1 ZINC001441697475 928820481 /nfs/dbraw/zinc/82/04/81/928820481.db2.gz PLDBYANGVGEJLL-MFKMUULPSA-N 2 2 311.386 -1.151 20 0 DAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](CO)[NH2+]CCO)[nH]n1 ZINC001441697475 928820491 /nfs/dbraw/zinc/82/04/91/928820491.db2.gz PLDBYANGVGEJLL-MFKMUULPSA-N 2 2 311.386 -1.151 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441702665 928823231 /nfs/dbraw/zinc/82/32/31/928823231.db2.gz VVLDWHOMTWAWTO-NWDGAFQWSA-N 2 2 316.402 -2.092 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441702665 928823237 /nfs/dbraw/zinc/82/32/37/928823237.db2.gz VVLDWHOMTWAWTO-NWDGAFQWSA-N 2 2 316.402 -2.092 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001441702675 928825490 /nfs/dbraw/zinc/82/54/90/928825490.db2.gz VVLDWHOMTWAWTO-VXGBXAGGSA-N 2 2 316.402 -2.092 20 0 DAADLP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001441702675 928825504 /nfs/dbraw/zinc/82/55/04/928825504.db2.gz VVLDWHOMTWAWTO-VXGBXAGGSA-N 2 2 316.402 -2.092 20 0 DAADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001441712635 928831787 /nfs/dbraw/zinc/83/17/87/928831787.db2.gz AJDLAPZNXJLGAO-MJBXVCDLSA-N 2 2 315.414 -1.047 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC001441713326 928831942 /nfs/dbraw/zinc/83/19/42/928831942.db2.gz LFKRDHMPNQVPKS-CHWSQXEVSA-N 2 2 310.402 -1.134 20 0 DAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001441713326 928831952 /nfs/dbraw/zinc/83/19/52/928831952.db2.gz LFKRDHMPNQVPKS-CHWSQXEVSA-N 2 2 310.402 -1.134 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001441717715 928838348 /nfs/dbraw/zinc/83/83/48/928838348.db2.gz RDHPOAQSMJTKCH-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001441717715 928838356 /nfs/dbraw/zinc/83/83/56/928838356.db2.gz RDHPOAQSMJTKCH-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001441717709 928838892 /nfs/dbraw/zinc/83/88/92/928838892.db2.gz RDHPOAQSMJTKCH-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001441717709 928838904 /nfs/dbraw/zinc/83/89/04/928838904.db2.gz RDHPOAQSMJTKCH-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)cc1=O ZINC001441792503 928865196 /nfs/dbraw/zinc/86/51/96/928865196.db2.gz DCFRIEJLZBZBMR-ZDUSSCGKSA-N 2 2 319.365 -1.151 20 0 DAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001441801547 928870921 /nfs/dbraw/zinc/87/09/21/928870921.db2.gz SUDNTMURWQPWGQ-QWRGUYRKSA-N 2 2 311.390 -1.566 20 0 DAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001441922983 928882249 /nfs/dbraw/zinc/88/22/49/928882249.db2.gz HNSJVDLXJSNMLY-NWDGAFQWSA-N 2 2 312.414 -1.110 20 0 DAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001441922983 928882264 /nfs/dbraw/zinc/88/22/64/928882264.db2.gz HNSJVDLXJSNMLY-NWDGAFQWSA-N 2 2 312.414 -1.110 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001441983253 928897291 /nfs/dbraw/zinc/89/72/91/928897291.db2.gz JWEYJOFZPQTUIV-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001441983253 928897300 /nfs/dbraw/zinc/89/73/00/928897300.db2.gz JWEYJOFZPQTUIV-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001441987494 928899982 /nfs/dbraw/zinc/89/99/82/928899982.db2.gz AVKDWCQOYZUAAS-GFCCVEGCSA-N 2 2 321.385 -1.071 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001442009873 928904823 /nfs/dbraw/zinc/90/48/23/928904823.db2.gz CHQPOLCVTGNMOW-NWDGAFQWSA-N 2 2 309.370 -1.360 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001442020693 928908164 /nfs/dbraw/zinc/90/81/64/928908164.db2.gz SDVDRFOGRZMEQI-VXGBXAGGSA-N 2 2 311.386 -1.011 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001442046907 928917101 /nfs/dbraw/zinc/91/71/01/928917101.db2.gz AGDHTSPQPPTWNS-LBPRGKRZSA-N 2 2 309.370 -1.476 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001442046897 928918049 /nfs/dbraw/zinc/91/80/49/928918049.db2.gz AGDHTSPQPPTWNS-GFCCVEGCSA-N 2 2 309.370 -1.476 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442602351 928955948 /nfs/dbraw/zinc/95/59/48/928955948.db2.gz JDMRGSDIDDLRCF-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442602351 928955957 /nfs/dbraw/zinc/95/59/57/928955957.db2.gz JDMRGSDIDDLRCF-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001442885107 928973447 /nfs/dbraw/zinc/97/34/47/928973447.db2.gz NIKVGCSCQTYRGQ-NSHDSACASA-N 2 2 322.369 -1.094 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001442885107 928973462 /nfs/dbraw/zinc/97/34/62/928973462.db2.gz NIKVGCSCQTYRGQ-NSHDSACASA-N 2 2 322.369 -1.094 20 0 DAADLP C[C@@H](C(N)=O)N1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001443281296 928998017 /nfs/dbraw/zinc/99/80/17/928998017.db2.gz FBSKWWFBBKAHEV-ZDUSSCGKSA-N 2 2 313.446 -1.112 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744825 929025859 /nfs/dbraw/zinc/02/58/59/929025859.db2.gz VEAWNRRJMCXBRL-CMPLNLGQSA-N 2 2 313.402 -1.700 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744825 929025870 /nfs/dbraw/zinc/02/58/70/929025870.db2.gz VEAWNRRJMCXBRL-CMPLNLGQSA-N 2 2 313.402 -1.700 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181789 929079612 /nfs/dbraw/zinc/07/96/12/929079612.db2.gz AELOJQZEOQCFHF-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001444181789 929079622 /nfs/dbraw/zinc/07/96/22/929079622.db2.gz AELOJQZEOQCFHF-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181789 929079633 /nfs/dbraw/zinc/07/96/33/929079633.db2.gz AELOJQZEOQCFHF-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001444181789 929079643 /nfs/dbraw/zinc/07/96/43/929079643.db2.gz AELOJQZEOQCFHF-AAEUAGOBSA-N 2 2 323.397 -1.113 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001444254683 929095801 /nfs/dbraw/zinc/09/58/01/929095801.db2.gz BRTYDAVIDCQSBZ-SNVBAGLBSA-N 2 2 322.369 -1.262 20 0 DAADLP C[NH+]1CCC(OCC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1 ZINC001444473627 929126350 /nfs/dbraw/zinc/12/63/50/929126350.db2.gz RVGWTCCQPRVWMR-CQSZACIVSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC(OCC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001444473627 929126352 /nfs/dbraw/zinc/12/63/52/929126352.db2.gz RVGWTCCQPRVWMR-CQSZACIVSA-N 2 2 315.414 -1.094 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001445185553 929178001 /nfs/dbraw/zinc/17/80/01/929178001.db2.gz KGROWGZQZSLNIM-GMTAPVOTSA-N 2 2 309.370 -1.284 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001445202287 929184898 /nfs/dbraw/zinc/18/48/98/929184898.db2.gz KHBFNDUSMFFHSQ-RYUDHWBXSA-N 2 2 323.397 -1.350 20 0 DAADLP CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001445261750 929204202 /nfs/dbraw/zinc/20/42/02/929204202.db2.gz VTRGITZMCINFPS-NEPJUHHUSA-N 2 2 309.370 -1.360 20 0 DAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001445280532 929211787 /nfs/dbraw/zinc/21/17/87/929211787.db2.gz UKUFDXJBOXOTLN-CYBMUJFWSA-N 2 2 306.370 -1.037 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001445277470 929212727 /nfs/dbraw/zinc/21/27/27/929212727.db2.gz NFCNVCDOFMCQTK-RYUDHWBXSA-N 2 2 309.370 -1.692 20 0 DAADLP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001445498686 929227670 /nfs/dbraw/zinc/22/76/70/929227670.db2.gz NDUSGTLOALOLIE-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001445511519 929231358 /nfs/dbraw/zinc/23/13/58/929231358.db2.gz BNOBFJKJKQSVSD-GHMZBOCLSA-N 2 2 309.370 -1.408 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446783431 929320958 /nfs/dbraw/zinc/32/09/58/929320958.db2.gz OTZIJDYEVLGDAM-AWEZNQCLSA-N 2 2 314.386 -2.253 20 0 DAADLP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446783431 929320969 /nfs/dbraw/zinc/32/09/69/929320969.db2.gz OTZIJDYEVLGDAM-AWEZNQCLSA-N 2 2 314.386 -2.253 20 0 DAADLP COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001446812815 929327301 /nfs/dbraw/zinc/32/73/01/929327301.db2.gz HSZAHGZWOPETKI-TZMCWYRMSA-N 2 2 312.370 -1.557 20 0 DAADLP COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001446812815 929327313 /nfs/dbraw/zinc/32/73/13/929327313.db2.gz HSZAHGZWOPETKI-TZMCWYRMSA-N 2 2 312.370 -1.557 20 0 DAADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446891992 929348533 /nfs/dbraw/zinc/34/85/33/929348533.db2.gz RCPJKKYIPBECMF-CYBMUJFWSA-N 2 2 315.414 -1.094 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001447464134 929395016 /nfs/dbraw/zinc/39/50/16/929395016.db2.gz SBHJSCFOQBGIFK-OAHLLOKOSA-N 2 2 323.397 -1.219 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001447739964 929410885 /nfs/dbraw/zinc/41/08/85/929410885.db2.gz SYLRWPJOEDZQEE-GFCCVEGCSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447941312 929420538 /nfs/dbraw/zinc/42/05/38/929420538.db2.gz YDKYDDPEGCOSBV-ZJUUUORDSA-N 2 2 324.385 -1.099 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001448730396 929467234 /nfs/dbraw/zinc/46/72/34/929467234.db2.gz JZBMCTCEGHMKID-RKDXNWHRSA-N 2 2 310.358 -1.028 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001448771990 929469770 /nfs/dbraw/zinc/46/97/70/929469770.db2.gz MAOFSPHTWJBVAD-SNVBAGLBSA-N 2 2 324.385 -1.145 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001448776342 929472607 /nfs/dbraw/zinc/47/26/07/929472607.db2.gz DFJBCCHTNTZPDX-QMMMGPOBSA-N 2 2 310.358 -1.108 20 0 DAADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)ncn1 ZINC001448822011 929479634 /nfs/dbraw/zinc/47/96/34/929479634.db2.gz ALRCQKMROSRSEL-ZIAGYGMSSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC001448822011 929479639 /nfs/dbraw/zinc/47/96/39/929479639.db2.gz ALRCQKMROSRSEL-ZIAGYGMSSA-N 2 2 323.397 -1.318 20 0 DAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001448862571 929498767 /nfs/dbraw/zinc/49/87/67/929498767.db2.gz SGLSGTZCPOQNTK-NEPJUHHUSA-N 2 2 323.397 -1.400 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001448862584 929500323 /nfs/dbraw/zinc/50/03/23/929500323.db2.gz SGLSGTZCPOQNTK-VXGBXAGGSA-N 2 2 323.397 -1.400 20 0 DAADLP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001448878783 929504442 /nfs/dbraw/zinc/50/44/42/929504442.db2.gz IBEVLBQXHBZDDD-WDEREUQCSA-N 2 2 311.386 -1.446 20 0 DAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001448901341 929511379 /nfs/dbraw/zinc/51/13/79/929511379.db2.gz PLLYYSHACLJVHL-JTQLQIEISA-N 2 2 318.337 -1.567 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001448921823 929516285 /nfs/dbraw/zinc/51/62/85/929516285.db2.gz NGRYCLGVTRQGCZ-SNVBAGLBSA-N 2 2 310.358 -1.956 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946610 929523317 /nfs/dbraw/zinc/52/33/17/929523317.db2.gz DVVIXLUGZCYZPX-RYUDHWBXSA-N 2 2 316.402 -2.138 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)C1 ZINC001448946610 929523326 /nfs/dbraw/zinc/52/33/26/929523326.db2.gz DVVIXLUGZCYZPX-RYUDHWBXSA-N 2 2 316.402 -2.138 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001448947906 929523745 /nfs/dbraw/zinc/52/37/45/929523745.db2.gz ORXNHTZMFCULJH-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001448947906 929523749 /nfs/dbraw/zinc/52/37/49/929523749.db2.gz ORXNHTZMFCULJH-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001448984979 929528222 /nfs/dbraw/zinc/52/82/22/929528222.db2.gz OYVMIUHRLWFOIA-DTWKUNHWSA-N 2 2 308.342 -1.274 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001449132548 929548772 /nfs/dbraw/zinc/54/87/72/929548772.db2.gz MOQSOHBICMXJPK-NEPJUHHUSA-N 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C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001548647521 930033756 /nfs/dbraw/zinc/03/37/56/930033756.db2.gz VMTDXXOAWRBNNZ-AGIUHOORSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735578 930043468 /nfs/dbraw/zinc/04/34/68/930043468.db2.gz LOVFEXCFZZCAQC-ZIAGYGMSSA-N 2 2 323.441 -1.393 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735578 930043481 /nfs/dbraw/zinc/04/34/81/930043481.db2.gz LOVFEXCFZZCAQC-ZIAGYGMSSA-N 2 2 323.441 -1.393 20 0 DAADLP Cn1cc([C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@@H]2[NH3+])cn1 ZINC001549049274 930050111 /nfs/dbraw/zinc/05/01/11/930050111.db2.gz DUVCMWMWMWWVLF-RYUDHWBXSA-N 2 2 306.370 -1.895 20 0 DAADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CN3CC[NH2+]CC3=O)C2)nn1 ZINC001549047124 930050524 /nfs/dbraw/zinc/05/05/24/930050524.db2.gz JWHNMAMFUNPKML-GFCCVEGCSA-N 2 2 321.385 -1.668 20 0 DAADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)CN3CC[NH2+]CC3=O)C2)nn1 ZINC001549047125 930050998 /nfs/dbraw/zinc/05/09/98/930050998.db2.gz JWHNMAMFUNPKML-LBPRGKRZSA-N 2 2 321.385 -1.668 20 0 DAADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549301147 930053426 /nfs/dbraw/zinc/05/34/26/930053426.db2.gz PPAQIBVXDPDBCC-QJPTWQEYSA-N 2 2 310.398 -1.051 20 0 DAADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3COCC[NH2+]3)CC2)C1=O ZINC001550093173 930060577 /nfs/dbraw/zinc/06/05/77/930060577.db2.gz ZAFGGSWYNWZFSV-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP C[C@H](C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1)N1CC[NH2+]CC1=O ZINC001550067753 930061221 /nfs/dbraw/zinc/06/12/21/930061221.db2.gz UPHRHAKRNYJNMQ-RAIGVLPGSA-N 2 2 320.397 -1.507 20 0 DAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203230 930071535 /nfs/dbraw/zinc/07/15/35/930071535.db2.gz FEOHGFHWRSOFBP-XJKSGUPXSA-N 2 2 324.425 -1.107 20 0 DAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203230 930071541 /nfs/dbraw/zinc/07/15/41/930071541.db2.gz FEOHGFHWRSOFBP-XJKSGUPXSA-N 2 2 324.425 -1.107 20 0 DAADLP Cn1cc(N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2=O)cn1 ZINC000653092926 545643113 /nfs/dbraw/zinc/64/31/13/545643113.db2.gz PVJVUBRDUWMZCX-GFCCVEGCSA-N 2 2 308.386 -1.126 20 0 DAADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000563718597 334942197 /nfs/dbraw/zinc/94/21/97/334942197.db2.gz VCBLDHGQUPOEKX-XQQFMLRXSA-N 2 2 310.398 -1.227 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662965250 545648712 /nfs/dbraw/zinc/64/87/12/545648712.db2.gz IQICHVCJWFFVNF-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000078745367 545649855 /nfs/dbraw/zinc/64/98/55/545649855.db2.gz YQBLACOJQZLFAB-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000670639832 545655057 /nfs/dbraw/zinc/65/50/57/545655057.db2.gz LXLPQQZHVIZVSF-VXGBXAGGSA-N 2 2 309.370 -1.165 20 0 DAADLP C[C@@H](NC(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000670639832 545655061 /nfs/dbraw/zinc/65/50/61/545655061.db2.gz LXLPQQZHVIZVSF-VXGBXAGGSA-N 2 2 309.370 -1.165 20 0 DAADLP C[C@H](O)C(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000407984175 545663209 /nfs/dbraw/zinc/66/32/09/545663209.db2.gz WEFRFCYCYCBTTA-ZDUSSCGKSA-N 2 2 312.414 -1.325 20 0 DAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C(N)=O)CC2)CC1 ZINC000408010745 545666861 /nfs/dbraw/zinc/66/68/61/545666861.db2.gz PXMAQROEKBGJBB-GFCCVEGCSA-N 2 2 312.414 -1.149 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000351530524 545720310 /nfs/dbraw/zinc/72/03/10/545720310.db2.gz AYPLQAXNIGBDMY-CHWSQXEVSA-N 2 2 310.398 -1.212 20 0 DAADLP C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332094378 545729910 /nfs/dbraw/zinc/72/99/10/545729910.db2.gz OQFPJKLADCHYDZ-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192012153 781938841 /nfs/dbraw/zinc/93/88/41/781938841.db2.gz HMVVSPXLDMWTDW-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192012153 781938851 /nfs/dbraw/zinc/93/88/51/781938851.db2.gz HMVVSPXLDMWTDW-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192012153 781938859 /nfs/dbraw/zinc/93/88/59/781938859.db2.gz HMVVSPXLDMWTDW-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192012153 781938866 /nfs/dbraw/zinc/93/88/66/781938866.db2.gz HMVVSPXLDMWTDW-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000419883713 545769874 /nfs/dbraw/zinc/76/98/74/545769874.db2.gz ZNKMJOSUYWSPII-UHFFFAOYSA-N 2 2 300.403 -1.061 20 0 DAADLP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000419883713 545769880 /nfs/dbraw/zinc/76/98/80/545769880.db2.gz ZNKMJOSUYWSPII-UHFFFAOYSA-N 2 2 300.403 -1.061 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423626201 545772293 /nfs/dbraw/zinc/77/22/93/545772293.db2.gz FLLUAEZRLUTNGY-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@H]1C ZINC000423898695 545776364 /nfs/dbraw/zinc/77/63/64/545776364.db2.gz PZLYKZRYUYDDPI-MNOVXSKESA-N 2 2 315.370 -1.027 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@H]1C ZINC000423898695 545776365 /nfs/dbraw/zinc/77/63/65/545776365.db2.gz PZLYKZRYUYDDPI-MNOVXSKESA-N 2 2 315.370 -1.027 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@@H](C)C1 ZINC000557297369 372810700 /nfs/dbraw/zinc/81/07/00/372810700.db2.gz DRHWSAHXKAHGLV-JTQLQIEISA-N 2 2 312.370 -1.830 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@@H](C)C1 ZINC000557297369 372810714 /nfs/dbraw/zinc/81/07/14/372810714.db2.gz DRHWSAHXKAHGLV-JTQLQIEISA-N 2 2 312.370 -1.830 20 0 DAADLP CC(C)C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000557255107 372810761 /nfs/dbraw/zinc/81/07/61/372810761.db2.gz VHGBVHNCEBPPTC-CYBMUJFWSA-N 2 2 312.414 -1.063 20 0 DAADLP Nc1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000623847720 372811552 /nfs/dbraw/zinc/81/15/52/372811552.db2.gz WQTVKKUIAHZFDY-GFCCVEGCSA-N 2 2 315.381 -1.050 20 0 DAADLP Nc1nc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000623847720 372811570 /nfs/dbraw/zinc/81/15/70/372811570.db2.gz WQTVKKUIAHZFDY-GFCCVEGCSA-N 2 2 315.381 -1.050 20 0 DAADLP Nc1nc(N)[nH+]c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000623847720 372811603 /nfs/dbraw/zinc/81/16/03/372811603.db2.gz WQTVKKUIAHZFDY-GFCCVEGCSA-N 2 2 315.381 -1.050 20 0 DAADLP C[NH+]1CCN(C(=O)C2CCN(c3nc(N)[nH+]c(N)n3)CC2)CC1 ZINC000623859327 372853235 /nfs/dbraw/zinc/85/32/35/372853235.db2.gz JUIPTYQMOWPOLZ-UHFFFAOYSA-N 2 2 320.401 -1.313 20 0 DAADLP C[NH+]1CCN(C(=O)C2CCN(c3nc(N)nc(N)[nH+]3)CC2)CC1 ZINC000623859327 372853241 /nfs/dbraw/zinc/85/32/41/372853241.db2.gz JUIPTYQMOWPOLZ-UHFFFAOYSA-N 2 2 320.401 -1.313 20 0 DAADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624509133 372828064 /nfs/dbraw/zinc/82/80/64/372828064.db2.gz SVKULPZNTNTPIF-ZDUSSCGKSA-N 2 2 309.374 -1.854 20 0 DAADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(N)[nH+]c(N)n1 ZINC000624509133 372828070 /nfs/dbraw/zinc/82/80/70/372828070.db2.gz SVKULPZNTNTPIF-ZDUSSCGKSA-N 2 2 309.374 -1.854 20 0 DAADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237443406 372865884 /nfs/dbraw/zinc/86/58/84/372865884.db2.gz RWSLRWFZAKDJBU-STQMWFEESA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000562362772 372879725 /nfs/dbraw/zinc/87/97/25/372879725.db2.gz QTFDCESCQKLRAV-LBPRGKRZSA-N 2 2 318.443 -1.274 20 0 DAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000562362772 372879732 /nfs/dbraw/zinc/87/97/32/372879732.db2.gz QTFDCESCQKLRAV-LBPRGKRZSA-N 2 2 318.443 -1.274 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000561415617 372872924 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311.386 -1.414 20 0 DAADLP CN1CC(=O)N(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640059513 373310088 /nfs/dbraw/zinc/31/00/88/373310088.db2.gz BCKUINROFXVCRK-UHFFFAOYSA-N 2 2 311.386 -1.414 20 0 DAADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C[NH+]1CCOCC1 ZINC000419305404 373320554 /nfs/dbraw/zinc/32/05/54/373320554.db2.gz WWOGXJHLCYECLO-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000419865391 373323207 /nfs/dbraw/zinc/32/32/07/373323207.db2.gz FNHIFECYXMUBJV-NSHDSACASA-N 2 2 314.386 -1.582 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000419865391 373323214 /nfs/dbraw/zinc/32/32/14/373323214.db2.gz FNHIFECYXMUBJV-NSHDSACASA-N 2 2 314.386 -1.582 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000611217026 373326825 /nfs/dbraw/zinc/32/68/25/373326825.db2.gz WAQBQOIJAVHKNI-STQMWFEESA-N 2 2 321.381 -1.000 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000611217026 373326827 /nfs/dbraw/zinc/32/68/27/373326827.db2.gz WAQBQOIJAVHKNI-STQMWFEESA-N 2 2 321.381 -1.000 20 0 DAADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000611217026 373326830 /nfs/dbraw/zinc/32/68/30/373326830.db2.gz WAQBQOIJAVHKNI-STQMWFEESA-N 2 2 321.381 -1.000 20 0 DAADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000611217026 373326832 /nfs/dbraw/zinc/32/68/32/373326832.db2.gz WAQBQOIJAVHKNI-STQMWFEESA-N 2 2 321.381 -1.000 20 0 DAADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCN2CCNC(=O)C2)C[C@@H](C)O1 ZINC000572276768 373331584 /nfs/dbraw/zinc/33/15/84/373331584.db2.gz GQQVYBJAXCTEBR-MCIONIFRSA-N 2 2 314.430 -1.522 20 0 DAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CC[NH3+])CC2)CC1 ZINC000262147609 373333690 /nfs/dbraw/zinc/33/36/90/373333690.db2.gz NECOWEUWBXPSKI-UHFFFAOYSA-N 2 2 319.431 -2.028 20 0 DAADLP C[NH2+][C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000262309082 373335135 /nfs/dbraw/zinc/33/51/35/373335135.db2.gz CPMFJBJJIHOWTO-CQSZACIVSA-N 2 2 322.413 -1.039 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423237822 373345961 /nfs/dbraw/zinc/34/59/61/373345961.db2.gz IQQLBKJOTXJDKH-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000423237820 373346139 /nfs/dbraw/zinc/34/61/39/373346139.db2.gz IQQLBKJOTXJDKH-BETUJISGSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000423624790 373346984 /nfs/dbraw/zinc/34/69/84/373346984.db2.gz DPFRINLIJWGIEW-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423711291 373347029 /nfs/dbraw/zinc/34/70/29/373347029.db2.gz MJUGOVGHLMYAPJ-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423606115 373347075 /nfs/dbraw/zinc/34/70/75/373347075.db2.gz KTZICTTYIKUAJL-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423484744 373349096 /nfs/dbraw/zinc/34/90/96/373349096.db2.gz AELHJWNIUBPWBI-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000423592487 373349496 /nfs/dbraw/zinc/34/94/96/373349496.db2.gz KTTOSWNNYJTIIW-STQMWFEESA-N 2 2 312.414 -1.278 20 0 DAADLP Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(=O)n(C)c1=O ZINC000424301990 373354587 /nfs/dbraw/zinc/35/45/87/373354587.db2.gz YPRWWZCGSBIXAY-RKDXNWHRSA-N 2 2 309.370 -1.292 20 0 DAADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000643512321 373372287 /nfs/dbraw/zinc/37/22/87/373372287.db2.gz GVYQKJZKHWTKNC-MELADBBJSA-N 2 2 324.425 -1.157 20 0 DAADLP COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000643512321 373372292 /nfs/dbraw/zinc/37/22/92/373372292.db2.gz GVYQKJZKHWTKNC-MELADBBJSA-N 2 2 324.425 -1.157 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629787656 373403300 /nfs/dbraw/zinc/40/33/00/373403300.db2.gz GSGXJJPTOFVRIE-UHFFFAOYSA-N 2 2 316.402 -1.789 20 0 DAADLP CCN(CC[NH3+])C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000629796064 373405861 /nfs/dbraw/zinc/40/58/61/373405861.db2.gz OJXXZMLHCGSHDX-UHFFFAOYSA-N 2 2 322.413 -1.129 20 0 DAADLP CCN(CC[NH3+])C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629812835 373414043 /nfs/dbraw/zinc/41/40/43/373414043.db2.gz WJXKFNMIJNEEBF-GFCCVEGCSA-N 2 2 316.402 -2.055 20 0 DAADLP O=S(=O)(CCn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000641558709 373426829 /nfs/dbraw/zinc/42/68/29/373426829.db2.gz RKHCPBSPBDZFET-GFCCVEGCSA-N 2 2 300.384 -1.036 20 0 DAADLP O=S(=O)(CCn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000641558709 373426841 /nfs/dbraw/zinc/42/68/41/373426841.db2.gz RKHCPBSPBDZFET-GFCCVEGCSA-N 2 2 300.384 -1.036 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000629607066 373399687 /nfs/dbraw/zinc/39/96/87/373399687.db2.gz KEEINDKGFDVOOO-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP CN(C)S(=O)(=O)N1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629616104 373399747 /nfs/dbraw/zinc/39/97/47/373399747.db2.gz WVWVWCCSFILZEU-LBPRGKRZSA-N 2 2 306.432 -1.477 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCOC1C[NH2+]C1 ZINC000629606889 373400147 /nfs/dbraw/zinc/40/01/47/373400147.db2.gz OQIASINDPLLSDY-GFCCVEGCSA-N 2 2 301.387 -1.484 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2nnnc2C[NH3+])C1 ZINC000567046142 373529570 /nfs/dbraw/zinc/52/95/70/373529570.db2.gz SBITWAOEMQFXJU-LLVKDONJSA-N 2 2 311.390 -1.395 20 0 DAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nnnc2C[NH3+])C1 ZINC000567046142 373529581 /nfs/dbraw/zinc/52/95/81/373529581.db2.gz SBITWAOEMQFXJU-LLVKDONJSA-N 2 2 311.390 -1.395 20 0 DAADLP Cn1cc[nH+]c1N1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000567046381 373530479 /nfs/dbraw/zinc/53/04/79/373530479.db2.gz AEOKBQQGEARXEO-UHFFFAOYSA-N 2 2 320.397 -1.063 20 0 DAADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566926602 373531518 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CWYJKOGPSZACPN-UHFFFAOYSA-N 2 2 323.441 -1.342 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000567908708 373540497 /nfs/dbraw/zinc/54/04/97/373540497.db2.gz HZWVCISZFHHCLM-CYBMUJFWSA-N 2 2 303.366 -1.014 20 0 DAADLP C[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000573815279 373555424 /nfs/dbraw/zinc/55/54/24/373555424.db2.gz NYBZVPVSZDQWIN-CHWSQXEVSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ncnc2nc[nH]c21 ZINC000573805491 373555869 /nfs/dbraw/zinc/55/58/69/373555869.db2.gz FDFJJGBTNXLDFM-JTQLQIEISA-N 2 2 318.385 -1.110 20 0 DAADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ncnc2nc[nH]c21 ZINC000573805491 373555873 /nfs/dbraw/zinc/55/58/73/373555873.db2.gz FDFJJGBTNXLDFM-JTQLQIEISA-N 2 2 318.385 -1.110 20 0 DAADLP C[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000573815282 373557051 /nfs/dbraw/zinc/55/70/51/373557051.db2.gz NYBZVPVSZDQWIN-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000574638246 373561633 /nfs/dbraw/zinc/56/16/33/373561633.db2.gz ZMOPOEOFOFOHLA-LPEHRKFASA-N 2 2 323.397 -1.094 20 0 DAADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000574638246 373561641 /nfs/dbraw/zinc/56/16/41/373561641.db2.gz ZMOPOEOFOFOHLA-LPEHRKFASA-N 2 2 323.397 -1.094 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)C[NH3+] ZINC000576105731 373567450 /nfs/dbraw/zinc/56/74/50/373567450.db2.gz OLPGDKVRKGDMCT-UHFFFAOYSA-N 2 2 316.358 -2.605 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000575812436 373567896 /nfs/dbraw/zinc/56/78/96/373567896.db2.gz LXMDBYCRSPTYIO-RYUDHWBXSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000575812436 373567903 /nfs/dbraw/zinc/56/79/03/373567903.db2.gz LXMDBYCRSPTYIO-RYUDHWBXSA-N 2 2 309.432 -1.322 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000575812436 373567909 /nfs/dbraw/zinc/56/79/09/373567909.db2.gz LXMDBYCRSPTYIO-RYUDHWBXSA-N 2 2 309.432 -1.322 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H](C[NH3+])OC ZINC000576696495 373571417 /nfs/dbraw/zinc/57/14/17/373571417.db2.gz UBXZAFDSWCXBBT-NSHDSACASA-N 2 2 303.359 -1.706 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577121627 373573303 /nfs/dbraw/zinc/57/33/03/373573303.db2.gz HCPZHJMLCZEHGL-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577121627 373573310 /nfs/dbraw/zinc/57/33/10/373573310.db2.gz HCPZHJMLCZEHGL-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000577121627 373573322 /nfs/dbraw/zinc/57/33/22/373573322.db2.gz HCPZHJMLCZEHGL-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577121633 373573916 /nfs/dbraw/zinc/57/39/16/373573916.db2.gz HCPZHJMLCZEHGL-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577121633 373573920 /nfs/dbraw/zinc/57/39/20/373573920.db2.gz HCPZHJMLCZEHGL-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000577121633 373573930 /nfs/dbraw/zinc/57/39/30/373573930.db2.gz HCPZHJMLCZEHGL-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577292370 373574413 /nfs/dbraw/zinc/57/44/13/373574413.db2.gz IVCKYSFYMDWBAI-GARJFASQSA-N 2 2 311.386 -1.147 20 0 DAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577292370 373574420 /nfs/dbraw/zinc/57/44/20/373574420.db2.gz IVCKYSFYMDWBAI-GARJFASQSA-N 2 2 311.386 -1.147 20 0 DAADLP CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C(=O)C1=O ZINC000577728026 373577008 /nfs/dbraw/zinc/57/70/08/373577008.db2.gz QRZLNPQSJPZYFX-NSHDSACASA-N 2 2 311.386 -2.222 20 0 DAADLP CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C(=O)C1=O ZINC000577728026 373577017 /nfs/dbraw/zinc/57/70/17/373577017.db2.gz QRZLNPQSJPZYFX-NSHDSACASA-N 2 2 311.386 -2.222 20 0 DAADLP CC[NH+]1CCN([C@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)C2)CC1 ZINC000577607287 373577303 /nfs/dbraw/zinc/57/73/03/373577303.db2.gz HMKFBMRJQVTZHJ-AWEZNQCLSA-N 2 2 323.441 -1.343 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031438 373653649 /nfs/dbraw/zinc/65/36/49/373653649.db2.gz NETOMGJNWCXWCA-ZENOOKHLSA-N 2 2 324.425 -1.149 20 0 DAADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623927411 373661586 /nfs/dbraw/zinc/66/15/86/373661586.db2.gz GWRLYBCOVQXSHU-SECBINFHSA-N 2 2 308.390 -1.527 20 0 DAADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000623927411 373661590 /nfs/dbraw/zinc/66/15/90/373661590.db2.gz GWRLYBCOVQXSHU-SECBINFHSA-N 2 2 308.390 -1.527 20 0 DAADLP CC[NH+](CC)CC(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623938406 373662299 /nfs/dbraw/zinc/66/22/99/373662299.db2.gz OZWXKFFBWLFOFM-UHFFFAOYSA-N 2 2 308.390 -1.313 20 0 DAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624031126 373664278 /nfs/dbraw/zinc/66/42/78/373664278.db2.gz WAQCHBCXVJMLIO-SNVBAGLBSA-N 2 2 320.401 -1.170 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624042293 373664518 /nfs/dbraw/zinc/66/45/18/373664518.db2.gz YHRTYPUZVSGDRY-VIFPVBQESA-N 2 2 306.374 -1.560 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624042293 373664521 /nfs/dbraw/zinc/66/45/21/373664521.db2.gz YHRTYPUZVSGDRY-VIFPVBQESA-N 2 2 306.374 -1.560 20 0 DAADLP C[NH2+]CCOCCNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000627461207 373678147 /nfs/dbraw/zinc/67/81/47/373678147.db2.gz IGPNTDRISBTQNY-UHFFFAOYSA-N 2 2 309.370 -1.114 20 0 DAADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000627469512 373682314 /nfs/dbraw/zinc/68/23/14/373682314.db2.gz WOYBIPGNWOLAQG-OLZOCXBDSA-N 2 2 312.414 -1.110 20 0 DAADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000627469512 373682317 /nfs/dbraw/zinc/68/23/17/373682317.db2.gz WOYBIPGNWOLAQG-OLZOCXBDSA-N 2 2 312.414 -1.110 20 0 DAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000627474883 373684805 /nfs/dbraw/zinc/68/48/05/373684805.db2.gz ZSUPLNCUHABSDR-LBPRGKRZSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000627506786 373688379 /nfs/dbraw/zinc/68/83/79/373688379.db2.gz JSLGAZFLRWLGSN-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000627506785 373689023 /nfs/dbraw/zinc/68/90/23/373689023.db2.gz JSLGAZFLRWLGSN-CHWSQXEVSA-N 2 2 310.398 -1.212 20 0 DAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000632421201 373719500 /nfs/dbraw/zinc/71/95/00/373719500.db2.gz SRFFDEUJUQPBNG-CYBMUJFWSA-N 2 2 321.443 -1.307 20 0 DAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000632421201 373719502 /nfs/dbraw/zinc/71/95/02/373719502.db2.gz SRFFDEUJUQPBNG-CYBMUJFWSA-N 2 2 321.443 -1.307 20 0 DAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631928178 373700266 /nfs/dbraw/zinc/70/02/66/373700266.db2.gz SJXLKWFTZNJPOT-QWHCGFSZSA-N 2 2 319.427 -1.289 20 0 DAADLP CN(C)c1[nH+]cc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)n1C ZINC000631920419 373700734 /nfs/dbraw/zinc/70/07/34/373700734.db2.gz ZDYXEBZAUQQWTH-LLVKDONJSA-N 2 2 317.415 -1.106 20 0 DAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631928179 373701858 /nfs/dbraw/zinc/70/18/58/373701858.db2.gz SJXLKWFTZNJPOT-STQMWFEESA-N 2 2 319.427 -1.289 20 0 DAADLP Cn1cnnc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000632550141 373721656 /nfs/dbraw/zinc/72/16/56/373721656.db2.gz QUCKRYPPQIZROM-UHFFFAOYSA-N 2 2 304.420 -1.023 20 0 DAADLP Cn1cnnc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000632550141 373721667 /nfs/dbraw/zinc/72/16/67/373721667.db2.gz QUCKRYPPQIZROM-UHFFFAOYSA-N 2 2 304.420 -1.023 20 0 DAADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633077383 373726213 /nfs/dbraw/zinc/72/62/13/373726213.db2.gz UOOYRDPZYCHGRL-MELADBBJSA-N 2 2 322.409 -1.118 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000633089660 373728531 /nfs/dbraw/zinc/72/85/31/373728531.db2.gz ZSVMWEBKGLIIOM-CHWSQXEVSA-N 2 2 312.414 -1.170 20 0 DAADLP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000633092033 373729569 /nfs/dbraw/zinc/72/95/69/373729569.db2.gz IOXUEKWRALVMCE-IHRRRGAJSA-N 2 2 322.409 -1.118 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633115780 373730804 /nfs/dbraw/zinc/73/08/04/373730804.db2.gz XDKNVHYEIBBCES-RWMBFGLXSA-N 2 2 310.398 -1.526 20 0 DAADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633109470 373731016 /nfs/dbraw/zinc/73/10/16/373731016.db2.gz CFEMHUDDXUNTIA-XQQFMLRXSA-N 2 2 308.382 -1.508 20 0 DAADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000563809663 335021210 /nfs/dbraw/zinc/02/12/10/335021210.db2.gz MRMBPSSJKUYCFU-NSHDSACASA-N 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ZINC000408092417 409367583 /nfs/dbraw/zinc/36/75/83/409367583.db2.gz YEOOTSKGOYBQND-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000652693700 409370182 /nfs/dbraw/zinc/37/01/82/409370182.db2.gz BDAHOHCXERZYAJ-UHFFFAOYSA-N 2 2 302.375 -2.132 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408098067 409370701 /nfs/dbraw/zinc/37/07/01/409370701.db2.gz AAFWJALRJHFNDS-UHFFFAOYSA-N 2 2 314.386 -1.399 20 0 DAADLP Cn1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(=O)n(C)c1=O ZINC000651890752 409380580 /nfs/dbraw/zinc/38/05/80/409380580.db2.gz RFAZKHOOQFBPNI-UHFFFAOYSA-N 2 2 323.397 -1.710 20 0 DAADLP Cn1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(=O)n(C)c1=O ZINC000651890752 409380588 /nfs/dbraw/zinc/38/05/88/409380588.db2.gz RFAZKHOOQFBPNI-UHFFFAOYSA-N 2 2 323.397 -1.710 20 0 DAADLP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)C(N)=O ZINC000338303405 409389162 /nfs/dbraw/zinc/38/91/62/409389162.db2.gz GLOXEKYQPUFRLK-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)C(N)=O ZINC000338303405 409389168 /nfs/dbraw/zinc/38/91/68/409389168.db2.gz GLOXEKYQPUFRLK-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647778607 409391975 /nfs/dbraw/zinc/39/19/75/409391975.db2.gz PKTQYJUNXBBCON-UHFFFAOYSA-N 2 2 313.446 -1.194 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647778607 409391981 /nfs/dbraw/zinc/39/19/81/409391981.db2.gz PKTQYJUNXBBCON-UHFFFAOYSA-N 2 2 313.446 -1.194 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652697129 409394516 /nfs/dbraw/zinc/39/45/16/409394516.db2.gz XKSPXBVPBHGNDG-UHFFFAOYSA-N 2 2 316.402 -1.871 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000652696140 409395354 /nfs/dbraw/zinc/39/53/54/409395354.db2.gz HCTHWYCZGQVSDR-LBPRGKRZSA-N 2 2 316.402 -1.743 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000652697484 409396683 /nfs/dbraw/zinc/39/66/83/409396683.db2.gz GEEPGKWLJAELTJ-UHFFFAOYSA-N 2 2 314.386 -2.118 20 0 DAADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCC(=O)N1CCCC1 ZINC000647835572 409397564 /nfs/dbraw/zinc/39/75/64/409397564.db2.gz CNAXIONUNKRCSS-UHFFFAOYSA-N 2 2 311.430 -1.438 20 0 DAADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCC(=O)N1CCCC1 ZINC000647835572 409397570 /nfs/dbraw/zinc/39/75/70/409397570.db2.gz CNAXIONUNKRCSS-UHFFFAOYSA-N 2 2 311.430 -1.438 20 0 DAADLP O=C(CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)NCC[NH+]1CCOCC1 ZINC000655445910 409339434 /nfs/dbraw/zinc/33/94/34/409339434.db2.gz RWXODRYNKKSCFY-CJNGLKHVSA-N 2 2 324.425 -1.059 20 0 DAADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000237919450 409342928 /nfs/dbraw/zinc/34/29/28/409342928.db2.gz PVUHIYAEMSPWBZ-QWHCGFSZSA-N 2 2 310.398 -1.273 20 0 DAADLP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000155211029 409342951 /nfs/dbraw/zinc/34/29/51/409342951.db2.gz PULOZHSXGMOQJD-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647878554 409402448 /nfs/dbraw/zinc/40/24/48/409402448.db2.gz QFFHUUFDBFOKNA-CYBMUJFWSA-N 2 2 318.443 -1.210 20 0 DAADLP C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1=O ZINC000638125649 409404554 /nfs/dbraw/zinc/40/45/54/409404554.db2.gz FXTMNHGTQSIPCP-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)N1CC[NH2+]CC1=O ZINC000638070286 409405213 /nfs/dbraw/zinc/40/52/13/409405213.db2.gz QEDFRDMRIDECIS-LBPRGKRZSA-N 2 2 312.414 -1.230 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000652732084 409408807 /nfs/dbraw/zinc/40/88/07/409408807.db2.gz BRNKXZPWVIDZLO-UHFFFAOYSA-N 2 2 316.402 -1.789 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000330649997 409419848 /nfs/dbraw/zinc/41/98/48/409419848.db2.gz WVZOAUVBWINXJD-UHFFFAOYSA-N 2 2 311.386 -1.162 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000330730648 409422427 /nfs/dbraw/zinc/42/24/27/409422427.db2.gz KEGMLPMAFIHJPL-CYBMUJFWSA-N 2 2 312.414 -1.325 20 0 DAADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000127592474 409428586 /nfs/dbraw/zinc/42/85/86/409428586.db2.gz QFJFSRUWQDLLTK-QWHCGFSZSA-N 2 2 310.398 -1.355 20 0 DAADLP C[NH+]1CCC(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000346923209 409443165 /nfs/dbraw/zinc/44/31/65/409443165.db2.gz FVDZIKIJSFBUDF-UHFFFAOYSA-N 2 2 312.414 -1.107 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332667264 409463014 /nfs/dbraw/zinc/46/30/14/409463014.db2.gz YNDGXKLKBHFCFJ-KBPBESRZSA-N 2 2 324.425 -1.182 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332667264 409463017 /nfs/dbraw/zinc/46/30/17/409463017.db2.gz YNDGXKLKBHFCFJ-KBPBESRZSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+](CC1(C[N@@H+](C)[C@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799736 409472356 /nfs/dbraw/zinc/47/23/56/409472356.db2.gz GFAROQROOKXRMR-LVEBTZEWSA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799736 409472361 /nfs/dbraw/zinc/47/23/61/409472361.db2.gz GFAROQROOKXRMR-LVEBTZEWSA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@H]1COC[C@H]1O ZINC000352799736 409472365 /nfs/dbraw/zinc/47/23/65/409472365.db2.gz GFAROQROOKXRMR-LVEBTZEWSA-N 2 2 316.398 -1.614 20 0 DAADLP CN(C)c1nc(N2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)cc[nH+]1 ZINC000353724622 409474033 /nfs/dbraw/zinc/47/40/33/409474033.db2.gz UWSJCONHNONPOE-JTQLQIEISA-N 2 2 321.385 -1.606 20 0 DAADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000353469047 409475909 /nfs/dbraw/zinc/47/59/09/409475909.db2.gz PDCZDSYDCDJDGS-OLZOCXBDSA-N 2 2 312.414 -1.061 20 0 DAADLP C[NH2+]CCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000357246508 409490447 /nfs/dbraw/zinc/49/04/47/409490447.db2.gz XSJJRFCYVJEXOO-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430903950 409570039 /nfs/dbraw/zinc/57/00/39/409570039.db2.gz MYLIHYNSKZBKQY-LLVKDONJSA-N 2 2 311.386 -2.126 20 0 DAADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430903950 409570050 /nfs/dbraw/zinc/57/00/50/409570050.db2.gz MYLIHYNSKZBKQY-LLVKDONJSA-N 2 2 311.386 -2.126 20 0 DAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358724277 409499595 /nfs/dbraw/zinc/49/95/95/409499595.db2.gz QRMHSXYDCCBNTD-DZGCQCFKSA-N 2 2 313.446 -1.012 20 0 DAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358724277 409499596 /nfs/dbraw/zinc/49/95/96/409499596.db2.gz QRMHSXYDCCBNTD-DZGCQCFKSA-N 2 2 313.446 -1.012 20 0 DAADLP C[C@H]1C[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000358849276 409500289 /nfs/dbraw/zinc/50/02/89/409500289.db2.gz QZLKQJBRSVAOGO-STQMWFEESA-N 2 2 312.414 -1.061 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000369815448 409512475 /nfs/dbraw/zinc/51/24/75/409512475.db2.gz ZPKQWPXFEUFVGV-GFCCVEGCSA-N 2 2 323.397 -2.207 20 0 DAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000369815448 409512476 /nfs/dbraw/zinc/51/24/76/409512476.db2.gz ZPKQWPXFEUFVGV-GFCCVEGCSA-N 2 2 323.397 -2.207 20 0 DAADLP CC(C)(CNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000372167855 409516668 /nfs/dbraw/zinc/51/66/68/409516668.db2.gz WTUNAODTQNBLTK-QWHCGFSZSA-N 2 2 315.414 -1.359 20 0 DAADLP CC(C)(CNC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000372167855 409516675 /nfs/dbraw/zinc/51/66/75/409516675.db2.gz WTUNAODTQNBLTK-QWHCGFSZSA-N 2 2 315.414 -1.359 20 0 DAADLP CC[C@@H](C)[C@H](NC(=O)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000430698246 409568491 /nfs/dbraw/zinc/56/84/91/409568491.db2.gz YRYZNVVAJJMUBK-YPMHNXCESA-N 2 2 300.403 -1.076 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535440 409532122 /nfs/dbraw/zinc/53/21/22/409532122.db2.gz RNLMNJLBLXIGFB-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535440 409532125 /nfs/dbraw/zinc/53/21/25/409532125.db2.gz RNLMNJLBLXIGFB-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535440 409532129 /nfs/dbraw/zinc/53/21/29/409532129.db2.gz RNLMNJLBLXIGFB-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535440 409532134 /nfs/dbraw/zinc/53/21/34/409532134.db2.gz RNLMNJLBLXIGFB-CHWSQXEVSA-N 2 2 323.459 -1.061 20 0 DAADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659718133 409534684 /nfs/dbraw/zinc/53/46/84/409534684.db2.gz NTJDJWNLCXWBAP-QWHCGFSZSA-N 2 2 310.398 -1.227 20 0 DAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659725205 409535273 /nfs/dbraw/zinc/53/52/73/409535273.db2.gz TZDVFKWYPIRGGT-SNVBAGLBSA-N 2 2 320.340 -1.370 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535441 409535436 /nfs/dbraw/zinc/53/54/36/409535436.db2.gz RNLMNJLBLXIGFB-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535441 409535445 /nfs/dbraw/zinc/53/54/45/409535445.db2.gz RNLMNJLBLXIGFB-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535441 409535452 /nfs/dbraw/zinc/53/54/52/409535452.db2.gz RNLMNJLBLXIGFB-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535441 409535457 /nfs/dbraw/zinc/53/54/57/409535457.db2.gz RNLMNJLBLXIGFB-OLZOCXBDSA-N 2 2 323.459 -1.061 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000420120269 409538517 /nfs/dbraw/zinc/53/85/17/409538517.db2.gz OIAFWDDYEKVZNF-AGIUHOORSA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000420120269 409538532 /nfs/dbraw/zinc/53/85/32/409538532.db2.gz OIAFWDDYEKVZNF-AGIUHOORSA-N 2 2 312.414 -1.063 20 0 DAADLP CC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[NH2+]C1 ZINC000423417471 409547156 /nfs/dbraw/zinc/54/71/56/409547156.db2.gz SLGTXOZMOBQPII-LBPRGKRZSA-N 2 2 310.398 -1.355 20 0 DAADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1C[NH2+]C1 ZINC000515047018 409553308 /nfs/dbraw/zinc/55/33/08/409553308.db2.gz APKUGRBWGFSCPX-UHFFFAOYSA-N 2 2 305.386 -1.130 20 0 DAADLP CC(C)C[C@@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000646427856 409619297 /nfs/dbraw/zinc/61/92/97/409619297.db2.gz WXPIROSILUZGDT-GFCCVEGCSA-N 2 2 300.403 -1.076 20 0 DAADLP C[NH+](CC1(C[N@@H+](C)[C@@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@H]1O ZINC000512183244 409625454 /nfs/dbraw/zinc/62/54/54/409625454.db2.gz GFAROQROOKXRMR-AAVRWANBSA-N 2 2 316.398 -1.614 20 0 DAADLP C[NH+](CC1(C[N@H+](C)[C@@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@H]1O ZINC000512183244 409625464 /nfs/dbraw/zinc/62/54/64/409625464.db2.gz GFAROQROOKXRMR-AAVRWANBSA-N 2 2 316.398 -1.614 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569736 409638719 /nfs/dbraw/zinc/63/87/19/409638719.db2.gz WXTCEOTYSWXGQG-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000524569736 409638724 /nfs/dbraw/zinc/63/87/24/409638724.db2.gz WXTCEOTYSWXGQG-UONOGXRCSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431063210 409570871 /nfs/dbraw/zinc/57/08/71/409570871.db2.gz YSHZXDXWYJQNHU-DGCLKSJQSA-N 2 2 300.403 -1.076 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430798699 409571626 /nfs/dbraw/zinc/57/16/26/409571626.db2.gz JNAIPDSCBBYCSE-ZDUSSCGKSA-N 2 2 310.398 -1.401 20 0 DAADLP CN(CCCN1CC[NH+](C)CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000646061151 409601180 /nfs/dbraw/zinc/60/11/80/409601180.db2.gz LINJERNWDLBUSY-UHFFFAOYSA-N 2 2 311.430 -1.486 20 0 DAADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000646061151 409601193 /nfs/dbraw/zinc/60/11/93/409601193.db2.gz LINJERNWDLBUSY-UHFFFAOYSA-N 2 2 311.430 -1.486 20 0 DAADLP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659713524 409693053 /nfs/dbraw/zinc/69/30/53/409693053.db2.gz QXVITDPLJLYIKM-ZDUSSCGKSA-N 2 2 310.398 -1.212 20 0 DAADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659713643 409694209 /nfs/dbraw/zinc/69/42/09/409694209.db2.gz GUGILYZUOODURC-STQMWFEESA-N 2 2 310.398 -1.227 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659752634 409698079 /nfs/dbraw/zinc/69/80/79/409698079.db2.gz KUKWGZOXMKCZEN-GFCCVEGCSA-N 2 2 300.403 -1.109 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656618 409712821 /nfs/dbraw/zinc/71/28/21/409712821.db2.gz QIKOJMQFUPNDSX-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739065 409643976 /nfs/dbraw/zinc/64/39/76/409643976.db2.gz RHKWNVWDELPYRU-AWEZNQCLSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739065 409643983 /nfs/dbraw/zinc/64/39/83/409643983.db2.gz RHKWNVWDELPYRU-AWEZNQCLSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739065 409643989 /nfs/dbraw/zinc/64/39/89/409643989.db2.gz RHKWNVWDELPYRU-AWEZNQCLSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739065 409643995 /nfs/dbraw/zinc/64/39/95/409643995.db2.gz RHKWNVWDELPYRU-AWEZNQCLSA-N 2 2 314.430 -1.031 20 0 DAADLP CN(CCC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649273118 409654797 /nfs/dbraw/zinc/65/47/97/409654797.db2.gz KWGPPFMLHPTJGK-CYBMUJFWSA-N 2 2 312.414 -1.026 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000576348634 409657968 /nfs/dbraw/zinc/65/79/68/409657968.db2.gz DSFMAXKRQJPXBJ-STQMWFEESA-N 3 2 311.430 -1.502 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000576348634 409657980 /nfs/dbraw/zinc/65/79/80/409657980.db2.gz DSFMAXKRQJPXBJ-STQMWFEESA-N 3 2 311.430 -1.502 20 0 DAADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466616 409659339 /nfs/dbraw/zinc/65/93/39/409659339.db2.gz UMKSTDRRSJNNTG-RKDXNWHRSA-N 2 2 309.370 -1.482 20 0 DAADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000576466616 409659347 /nfs/dbraw/zinc/65/93/47/409659347.db2.gz UMKSTDRRSJNNTG-RKDXNWHRSA-N 2 2 309.370 -1.482 20 0 DAADLP CS(=O)(=O)N1CCC[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288469 409711245 /nfs/dbraw/zinc/71/12/45/409711245.db2.gz HZQRSKBVVOQGOM-VXGBXAGGSA-N 2 2 309.432 -1.728 20 0 DAADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288469 409711251 /nfs/dbraw/zinc/71/12/51/409711251.db2.gz HZQRSKBVVOQGOM-VXGBXAGGSA-N 2 2 309.432 -1.728 20 0 DAADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658452596 409681334 /nfs/dbraw/zinc/68/13/34/409681334.db2.gz VBSFYQRAVBBVGQ-CYBMUJFWSA-N 2 2 312.414 -1.061 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659697482 409688243 /nfs/dbraw/zinc/68/82/43/409688243.db2.gz IABFLEJFQGUGDI-BZUNDVKYSA-N 2 2 310.398 -1.227 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000659673572 409689201 /nfs/dbraw/zinc/68/92/01/409689201.db2.gz LWHLOLGAEMFMEX-NSHDSACASA-N 2 2 300.403 -1.063 20 0 DAADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659709083 409689721 /nfs/dbraw/zinc/68/97/21/409689721.db2.gz DPOHNSIRIBMSOT-QWHCGFSZSA-N 2 2 310.398 -1.212 20 0 DAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000659703841 409689903 /nfs/dbraw/zinc/68/99/03/409689903.db2.gz HYWIGCIHTKRUNE-TUAOUCFPSA-N 2 2 300.403 -1.064 20 0 DAADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662949134 409721534 /nfs/dbraw/zinc/72/15/34/409721534.db2.gz SPQKXZTVQOMVEX-OLZOCXBDSA-N 2 2 310.398 -1.131 20 0 DAADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662951069 409721626 /nfs/dbraw/zinc/72/16/26/409721626.db2.gz HOAVHXVMOZABLK-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000662957065 409722149 /nfs/dbraw/zinc/72/21/49/409722149.db2.gz FAWKQBLMJWMHTG-JHJVBQTASA-N 2 2 310.398 -1.275 20 0 DAADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662951066 409722598 /nfs/dbraw/zinc/72/25/98/409722598.db2.gz HOAVHXVMOZABLK-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000315973832 409726160 /nfs/dbraw/zinc/72/61/60/409726160.db2.gz YYXGSQVNAYDZRR-UHFFFAOYSA-N 2 2 313.446 -1.192 20 0 DAADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000315973832 409726168 /nfs/dbraw/zinc/72/61/68/409726168.db2.gz YYXGSQVNAYDZRR-UHFFFAOYSA-N 2 2 313.446 -1.192 20 0 DAADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000440276444 409748620 /nfs/dbraw/zinc/74/86/20/409748620.db2.gz MVGYEJCEMLNZRI-LBPRGKRZSA-N 2 2 322.413 -0.454 20 0 DAADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000440276444 409748627 /nfs/dbraw/zinc/74/86/27/409748627.db2.gz MVGYEJCEMLNZRI-LBPRGKRZSA-N 2 2 322.413 -0.454 20 0 DAADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430722574 409759028 /nfs/dbraw/zinc/75/90/28/409759028.db2.gz QMJTUBGKPXUXSU-CYBMUJFWSA-N 2 2 323.397 -0.468 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448482674 409775789 /nfs/dbraw/zinc/77/57/89/409775789.db2.gz DZCKIUZQCRTISJ-UHFFFAOYSA-N 2 2 322.413 -0.453 20 0 DAADLP COCC[NH2+]CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430725299 409776699 /nfs/dbraw/zinc/77/66/99/409776699.db2.gz XEUKQYIZOSIIQO-UHFFFAOYSA-N 2 2 311.386 -0.610 20 0 DAADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000447448729 409779832 /nfs/dbraw/zinc/77/98/32/409779832.db2.gz MYBLPPJDORNVBF-GFCCVEGCSA-N 2 2 311.386 -0.482 20 0 DAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662872863 409718648 /nfs/dbraw/zinc/71/86/48/409718648.db2.gz DVCQWCPXHAWYDL-LBPRGKRZSA-N 3 2 301.435 -1.256 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CCC1 ZINC001193755221 782015465 /nfs/dbraw/zinc/01/54/65/782015465.db2.gz IOWHHWUQQPRSAA-JHJVBQTASA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CCC1 ZINC001193755221 782015471 /nfs/dbraw/zinc/01/54/71/782015471.db2.gz IOWHHWUQQPRSAA-JHJVBQTASA-N 2 2 324.425 -1.089 20 0 DAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820953 782017401 /nfs/dbraw/zinc/01/74/01/782017401.db2.gz AQOLGTRAGJQVCE-FRRDWIJNSA-N 2 2 310.398 -1.480 20 0 DAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820953 782017404 /nfs/dbraw/zinc/01/74/04/782017404.db2.gz AQOLGTRAGJQVCE-FRRDWIJNSA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820953 782017412 /nfs/dbraw/zinc/01/74/12/782017412.db2.gz AQOLGTRAGJQVCE-FRRDWIJNSA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820953 782017419 /nfs/dbraw/zinc/01/74/19/782017419.db2.gz AQOLGTRAGJQVCE-FRRDWIJNSA-N 2 2 310.398 -1.480 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001194118829 782026708 /nfs/dbraw/zinc/02/67/08/782026708.db2.gz JNFYYKVBEWIYOE-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001194118829 782026719 /nfs/dbraw/zinc/02/67/19/782026719.db2.gz JNFYYKVBEWIYOE-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194118829 782026741 /nfs/dbraw/zinc/02/67/41/782026741.db2.gz JNFYYKVBEWIYOE-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194118829 782026729 /nfs/dbraw/zinc/02/67/29/782026729.db2.gz JNFYYKVBEWIYOE-MGPQQGTHSA-N 2 2 315.414 -1.359 20 0 DAADLP Cn1c2ncn(CC[N@@H+]3CCC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000346595144 262539121 /nfs/dbraw/zinc/53/91/21/262539121.db2.gz RURFUEDOBWDJNV-UHFFFAOYSA-N 2 2 306.370 -1.271 20 0 DAADLP Cn1c2ncn(CC[N@H+]3CCC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000346595144 262539122 /nfs/dbraw/zinc/53/91/22/262539122.db2.gz RURFUEDOBWDJNV-UHFFFAOYSA-N 2 2 306.370 -1.271 20 0 DAADLP C[C@@H](O)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000438984969 262632483 /nfs/dbraw/zinc/63/24/83/262632483.db2.gz HHPMATYWGBMXDB-CYBMUJFWSA-N 2 2 320.459 -1.133 20 0 DAADLP Cn1c(N)c(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c(=O)n(C)c1=O ZINC000520814251 262659253 /nfs/dbraw/zinc/65/92/53/262659253.db2.gz HSHVIFJKPHXPKF-CQSZACIVSA-N 2 2 309.370 -1.434 20 0 DAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784209 263218404 /nfs/dbraw/zinc/21/84/04/263218404.db2.gz AOUDGWOASMGLIZ-QWHCGFSZSA-N 2 2 312.414 -1.251 20 0 DAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784209 263218407 /nfs/dbraw/zinc/21/84/07/263218407.db2.gz AOUDGWOASMGLIZ-QWHCGFSZSA-N 2 2 312.414 -1.251 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000423609690 263220439 /nfs/dbraw/zinc/22/04/39/263220439.db2.gz PUECUTKASHTPAL-GFCCVEGCSA-N 2 2 320.397 -1.126 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000408271993 263224874 /nfs/dbraw/zinc/22/48/74/263224874.db2.gz VOUPGTHFOKHSLL-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000408271993 263224875 /nfs/dbraw/zinc/22/48/75/263224875.db2.gz VOUPGTHFOKHSLL-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419945702 263225079 /nfs/dbraw/zinc/22/50/79/263225079.db2.gz CZXWDSVVTUIGRG-GFCCVEGCSA-N 2 2 300.403 -1.122 20 0 DAADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000353469049 263230945 /nfs/dbraw/zinc/23/09/45/263230945.db2.gz PDCZDSYDCDJDGS-QWHCGFSZSA-N 2 2 312.414 -1.061 20 0 DAADLP CCOC(=O)COCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000517019986 263237791 /nfs/dbraw/zinc/23/77/91/263237791.db2.gz JSSCNVXSPFVEAB-LLVKDONJSA-N 2 2 302.375 -1.150 20 0 DAADLP CCOC(=O)COCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000517019986 263237794 /nfs/dbraw/zinc/23/77/94/263237794.db2.gz JSSCNVXSPFVEAB-LLVKDONJSA-N 2 2 302.375 -1.150 20 0 DAADLP C[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000192968180 263239728 /nfs/dbraw/zinc/23/97/28/263239728.db2.gz FJLZTTHHYAEWSY-LBPRGKRZSA-N 2 2 306.432 -1.523 20 0 DAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000263260723 263244989 /nfs/dbraw/zinc/24/49/89/263244989.db2.gz SOHGTFTXPWSBJH-JSGCOSHPSA-N 2 2 313.446 -1.162 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332193140 263254531 /nfs/dbraw/zinc/25/45/31/263254531.db2.gz QTYPZDLQGRRXLQ-KBPBESRZSA-N 2 2 324.425 -1.155 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000346154615 263257239 /nfs/dbraw/zinc/25/72/39/263257239.db2.gz REBXSPHEIHOMRH-KGLIPLIRSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000346154615 263257240 /nfs/dbraw/zinc/25/72/40/263257240.db2.gz REBXSPHEIHOMRH-KGLIPLIRSA-N 2 2 315.414 -1.095 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420011841 263264710 /nfs/dbraw/zinc/26/47/10/263264710.db2.gz IOCFKDBFYJWXMU-GFCCVEGCSA-N 2 2 300.403 -1.124 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302660 263269399 /nfs/dbraw/zinc/26/93/99/263269399.db2.gz SHSQCMGVBXCJBX-MCIONIFRSA-N 2 2 315.414 -1.503 20 0 DAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302660 263269401 /nfs/dbraw/zinc/26/94/01/263269401.db2.gz SHSQCMGVBXCJBX-MCIONIFRSA-N 2 2 315.414 -1.503 20 0 DAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357927458 263272998 /nfs/dbraw/zinc/27/29/98/263272998.db2.gz LBWFHWACLBXUEH-KGYLQXTDSA-N 2 2 310.398 -1.480 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000333168092 263273860 /nfs/dbraw/zinc/27/38/60/263273860.db2.gz PEHFVUKKUATMIU-AWEZNQCLSA-N 2 2 309.370 -1.566 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000333168092 263273861 /nfs/dbraw/zinc/27/38/61/263273861.db2.gz PEHFVUKKUATMIU-AWEZNQCLSA-N 2 2 309.370 -1.566 20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000419840149 263274646 /nfs/dbraw/zinc/27/46/46/263274646.db2.gz RSMUTEMDFHHNRJ-NSHDSACASA-N 2 2 314.386 -1.453 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000419840149 263274648 /nfs/dbraw/zinc/27/46/48/263274648.db2.gz RSMUTEMDFHHNRJ-NSHDSACASA-N 2 2 314.386 -1.453 20 0 DAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C[C@H](C)O1 ZINC000514931982 263276926 /nfs/dbraw/zinc/27/69/26/263276926.db2.gz MGGUVTOOKKRIIY-GRYCIOLGSA-N 2 2 309.432 -1.405 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000332715226 263280129 /nfs/dbraw/zinc/28/01/29/263280129.db2.gz VUZNSOADRDJPSK-MGPQQGTHSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CC(=O)NC3=O)CC2)CC1 ZINC000514870965 263281412 /nfs/dbraw/zinc/28/14/12/263281412.db2.gz OPJSBIPAXQXGIJ-LBPRGKRZSA-N 2 2 308.382 -1.113 20 0 DAADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423594289 263282062 /nfs/dbraw/zinc/28/20/62/263282062.db2.gz NSITZVASVLLTCN-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431063211 263282264 /nfs/dbraw/zinc/28/22/64/263282264.db2.gz YSHZXDXWYJQNHU-WCQYABFASA-N 2 2 300.403 -1.076 20 0 DAADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000357241858 263284670 /nfs/dbraw/zinc/28/46/70/263284670.db2.gz ODROOUMAGSRZAY-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000244303034 263285199 /nfs/dbraw/zinc/28/51/99/263285199.db2.gz WYWXKUQXJPZXLS-CQSZACIVSA-N 2 2 324.425 -1.059 20 0 DAADLP O=C(CNC(=O)[C@@H]1CSC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000360199715 263290901 /nfs/dbraw/zinc/29/09/01/263290901.db2.gz SCAQGNUEHGBDRB-JTQLQIEISA-N 2 2 302.400 -1.787 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000410533318 263292355 /nfs/dbraw/zinc/29/23/55/263292355.db2.gz YNDGXKLKBHFCFJ-KGLIPLIRSA-N 2 2 324.425 -1.182 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000410533318 263292357 /nfs/dbraw/zinc/29/23/57/263292357.db2.gz YNDGXKLKBHFCFJ-KGLIPLIRSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000114159279 263298485 /nfs/dbraw/zinc/29/84/85/263298485.db2.gz MWUMVPPHTDSTRZ-CYBMUJFWSA-N 2 2 312.414 -1.155 20 0 DAADLP CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000362339988 263298733 /nfs/dbraw/zinc/29/87/33/263298733.db2.gz JDCDLIMMKMPFMS-LBPRGKRZSA-N 2 2 323.397 -1.271 20 0 DAADLP CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)CCN2C1=O 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/nfs/dbraw/zinc/34/78/83/337347883.db2.gz LOUQLXDQASFURU-VXGBXAGGSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477564 337347884 /nfs/dbraw/zinc/34/78/84/337347884.db2.gz LOUQLXDQASFURU-VXGBXAGGSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477564 337347885 /nfs/dbraw/zinc/34/78/85/337347885.db2.gz LOUQLXDQASFURU-VXGBXAGGSA-N 2 2 308.448 -1.196 20 0 DAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477564 337347886 /nfs/dbraw/zinc/34/78/86/337347886.db2.gz LOUQLXDQASFURU-VXGBXAGGSA-N 2 2 308.448 -1.196 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583883205 337377643 /nfs/dbraw/zinc/37/76/43/337377643.db2.gz KBZCKJYYRZLPQF-GHMZBOCLSA-N 2 2 311.386 -1.288 20 0 DAADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583883205 337377644 /nfs/dbraw/zinc/37/76/44/337377644.db2.gz KBZCKJYYRZLPQF-GHMZBOCLSA-N 2 2 311.386 -1.288 20 0 DAADLP CC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1CCOC ZINC000168072139 339053501 /nfs/dbraw/zinc/05/35/01/339053501.db2.gz NCHJOMIXFSASSU-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1CCOC ZINC000168072139 339053502 /nfs/dbraw/zinc/05/35/02/339053502.db2.gz NCHJOMIXFSASSU-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000567917067 341640639 /nfs/dbraw/zinc/64/06/39/341640639.db2.gz UHBHLQZQVUYUKW-NSHDSACASA-N 2 2 306.370 -1.675 20 0 DAADLP C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000577003198 341875088 /nfs/dbraw/zinc/87/50/88/341875088.db2.gz NXBCOTPOQXRLTG-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058667 782121933 /nfs/dbraw/zinc/12/19/33/782121933.db2.gz WETIRFGQHLYAIT-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536028 782134569 /nfs/dbraw/zinc/13/45/69/782134569.db2.gz HQXXHCQUIONIIX-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536028 782134575 /nfs/dbraw/zinc/13/45/75/782134575.db2.gz HQXXHCQUIONIIX-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536028 782134579 /nfs/dbraw/zinc/13/45/79/782134579.db2.gz HQXXHCQUIONIIX-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536028 782134585 /nfs/dbraw/zinc/13/45/85/782134585.db2.gz HQXXHCQUIONIIX-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001197536678 782135243 /nfs/dbraw/zinc/13/52/43/782135243.db2.gz ZSMCNGHIRKQYMK-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001197536678 782135246 /nfs/dbraw/zinc/13/52/46/782135246.db2.gz ZSMCNGHIRKQYMK-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001197536678 782135249 /nfs/dbraw/zinc/13/52/49/782135249.db2.gz ZSMCNGHIRKQYMK-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001197536678 782135251 /nfs/dbraw/zinc/13/52/51/782135251.db2.gz ZSMCNGHIRKQYMK-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833279 782142492 /nfs/dbraw/zinc/14/24/92/782142492.db2.gz VXUKXWAROARPOO-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833279 782142500 /nfs/dbraw/zinc/14/25/00/782142500.db2.gz VXUKXWAROARPOO-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198003808 782143672 /nfs/dbraw/zinc/14/36/72/782143672.db2.gz HPODXPFWOAHZKL-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198003808 782143681 /nfs/dbraw/zinc/14/36/81/782143681.db2.gz HPODXPFWOAHZKL-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198003808 782143690 /nfs/dbraw/zinc/14/36/90/782143690.db2.gz HPODXPFWOAHZKL-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198003808 782143697 /nfs/dbraw/zinc/14/36/97/782143697.db2.gz HPODXPFWOAHZKL-IJLUTSLNSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001198004139 782144143 /nfs/dbraw/zinc/14/41/43/782144143.db2.gz WCNCUDNLTPRXOB-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1O ZINC001198004139 782144150 /nfs/dbraw/zinc/14/41/50/782144150.db2.gz WCNCUDNLTPRXOB-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001198004139 782144156 /nfs/dbraw/zinc/14/41/56/782144156.db2.gz WCNCUDNLTPRXOB-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001198004139 782144162 /nfs/dbraw/zinc/14/41/62/782144162.db2.gz WCNCUDNLTPRXOB-CHWSQXEVSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046810 782147717 /nfs/dbraw/zinc/14/77/17/782147717.db2.gz FMVXVNRKSSUAPV-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046810 782147724 /nfs/dbraw/zinc/14/77/24/782147724.db2.gz FMVXVNRKSSUAPV-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046810 782147728 /nfs/dbraw/zinc/14/77/28/782147728.db2.gz FMVXVNRKSSUAPV-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046810 782147732 /nfs/dbraw/zinc/14/77/32/782147732.db2.gz FMVXVNRKSSUAPV-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cc[nH+]cc2)[C@H]2NCN[C@@H]21 ZINC001198561429 782157961 /nfs/dbraw/zinc/15/79/61/782157961.db2.gz OFJQWXRPCQBOEQ-JHJVBQTASA-N 2 2 314.353 -1.600 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023233 782167411 /nfs/dbraw/zinc/16/74/11/782167411.db2.gz CRVUEFIMDVTAMJ-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023233 782167419 /nfs/dbraw/zinc/16/74/19/782167419.db2.gz CRVUEFIMDVTAMJ-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP COCCN1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653156565 545648626 /nfs/dbraw/zinc/64/86/26/545648626.db2.gz FMGNJVDWNPHLPM-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP [NH3+]C1(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000662737116 545645601 /nfs/dbraw/zinc/64/56/01/545645601.db2.gz MXHOTJIPPAQIEJ-LBPRGKRZSA-N 2 2 310.398 -1.083 20 0 DAADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)C[C@@H](C)O1 ZINC000644564906 545677198 /nfs/dbraw/zinc/67/71/98/545677198.db2.gz UCLSNYQSLDWEES-UTUOFQBUSA-N 2 2 314.386 -1.402 20 0 DAADLP CNc1nc(N2CC[NH+](C)CC2)nc(N2CC[NH+](C)CC2)n1 ZINC000343815458 545707548 /nfs/dbraw/zinc/70/75/48/545707548.db2.gz BDGHCSXYDVNDCY-UHFFFAOYSA-N 2 2 306.418 -1.161 20 0 DAADLP CNc1nc(N2CC([NH+](C)C)C2)nc(N2CC([NH+](C)C)C2)[nH+]1 ZINC000347470102 545717205 /nfs/dbraw/zinc/71/72/05/545717205.db2.gz ZXLKVBLPWPKZRO-UHFFFAOYSA-N 3 2 306.418 -1.164 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000351531454 545722260 /nfs/dbraw/zinc/72/22/60/545722260.db2.gz DCUXDFFXSSITPH-LBPRGKRZSA-N 2 2 320.397 -1.078 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000331702440 545727643 /nfs/dbraw/zinc/72/76/43/545727643.db2.gz FXAVBJBWPFFTLK-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000331702440 545727650 /nfs/dbraw/zinc/72/76/50/545727650.db2.gz FXAVBJBWPFFTLK-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000331702440 545727658 /nfs/dbraw/zinc/72/76/58/545727658.db2.gz FXAVBJBWPFFTLK-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000331702440 545727665 /nfs/dbraw/zinc/72/76/65/545727665.db2.gz FXAVBJBWPFFTLK-MCIONIFRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332094378 545729893 /nfs/dbraw/zinc/72/98/93/545729893.db2.gz OQFPJKLADCHYDZ-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000332094378 545729899 /nfs/dbraw/zinc/72/98/99/545729899.db2.gz OQFPJKLADCHYDZ-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332094378 545729905 /nfs/dbraw/zinc/72/99/05/545729905.db2.gz OQFPJKLADCHYDZ-STQMWFEESA-N 2 2 310.398 -1.260 20 0 DAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357927464 545737600 /nfs/dbraw/zinc/73/76/00/545737600.db2.gz LBWFHWACLBXUEH-WXHSDQCUSA-N 2 2 310.398 -1.480 20 0 DAADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357926139 545737992 /nfs/dbraw/zinc/73/79/92/545737992.db2.gz PLCKDBWCENIONH-KGLIPLIRSA-N 2 2 324.425 -1.230 20 0 DAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357927462 545738221 /nfs/dbraw/zinc/73/82/21/545738221.db2.gz LBWFHWACLBXUEH-RTXFEEFZSA-N 2 2 310.398 -1.480 20 0 DAADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)C[NH+]1CCOCC1 ZINC000419305406 545765123 /nfs/dbraw/zinc/76/51/23/545765123.db2.gz WWOGXJHLCYECLO-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000419868134 545768384 /nfs/dbraw/zinc/76/83/84/545768384.db2.gz HRAYWZRJWFFBHZ-UHFFFAOYSA-N 2 2 300.403 -1.109 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423708443 545772594 /nfs/dbraw/zinc/77/25/94/545772594.db2.gz GUYNUQALMOGOHX-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423630312 545772705 /nfs/dbraw/zinc/77/27/05/545772705.db2.gz YMASEKWUSSROMY-STQMWFEESA-N 2 2 312.414 -1.149 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459903685 545788515 /nfs/dbraw/zinc/78/85/15/545788515.db2.gz XUYSYKAPCFYUBV-LBPRGKRZSA-N 2 2 300.403 -1.469 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057498 782169080 /nfs/dbraw/zinc/16/90/80/782169080.db2.gz LADPHQAYKZZWCH-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057498 782169083 /nfs/dbraw/zinc/16/90/83/782169083.db2.gz LADPHQAYKZZWCH-YNEHKIRRSA-N 2 2 312.414 -1.103 20 0 DAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649337354 545801350 /nfs/dbraw/zinc/80/13/50/545801350.db2.gz FCWYTADBLWWBGL-RQJABVFESA-N 2 2 322.409 -1.214 20 0 DAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649337377 545802463 /nfs/dbraw/zinc/80/24/63/545802463.db2.gz HOPWLSIFJNCMEW-IOASZLSFSA-N 2 2 322.409 -1.212 20 0 DAADLP CNS(=O)(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688110 545806290 /nfs/dbraw/zinc/80/62/90/545806290.db2.gz RGMKXZZBPSRETE-UHFFFAOYSA-N 2 2 306.432 -1.369 20 0 DAADLP CNS(=O)(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688110 545806292 /nfs/dbraw/zinc/80/62/92/545806292.db2.gz RGMKXZZBPSRETE-UHFFFAOYSA-N 2 2 306.432 -1.369 20 0 DAADLP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CC2)CC1 ZINC000656062594 545813695 /nfs/dbraw/zinc/81/36/95/545813695.db2.gz KHDNWUUVWDTIIJ-UONOGXRCSA-N 2 2 322.409 -1.430 20 0 DAADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C2CC2)CC1 ZINC000656062594 545813700 /nfs/dbraw/zinc/81/37/00/545813700.db2.gz KHDNWUUVWDTIIJ-UONOGXRCSA-N 2 2 322.409 -1.430 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656059044 545813773 /nfs/dbraw/zinc/81/37/73/545813773.db2.gz OUIQIMACNFPGND-QWHCGFSZSA-N 2 2 310.398 -1.572 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656059044 545813778 /nfs/dbraw/zinc/81/37/78/545813778.db2.gz OUIQIMACNFPGND-QWHCGFSZSA-N 2 2 310.398 -1.572 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[N@H+]1C ZINC000656087243 545815817 /nfs/dbraw/zinc/81/58/17/545815817.db2.gz ATZXRAUCEVGXGE-RFQIPJPRSA-N 2 2 324.425 -1.185 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[N@@H+]1C ZINC000656087243 545815822 /nfs/dbraw/zinc/81/58/22/545815822.db2.gz ATZXRAUCEVGXGE-RFQIPJPRSA-N 2 2 324.425 -1.185 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[NH+]1C ZINC000656087243 545815827 /nfs/dbraw/zinc/81/58/27/545815827.db2.gz ATZXRAUCEVGXGE-RFQIPJPRSA-N 2 2 324.425 -1.185 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)[NH+]1C ZINC000656087243 545815833 /nfs/dbraw/zinc/81/58/33/545815833.db2.gz ATZXRAUCEVGXGE-RFQIPJPRSA-N 2 2 324.425 -1.185 20 0 DAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297637 545820855 /nfs/dbraw/zinc/82/08/55/545820855.db2.gz GVAZAJLQEKPKFU-RWMBFGLXSA-N 2 2 321.381 -1.335 20 0 DAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297637 545820861 /nfs/dbraw/zinc/82/08/61/545820861.db2.gz GVAZAJLQEKPKFU-RWMBFGLXSA-N 2 2 321.381 -1.335 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662921225 545839553 /nfs/dbraw/zinc/83/95/53/545839553.db2.gz HDPPDPZIKBGOGC-VXGBXAGGSA-N 2 2 316.377 -1.325 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662922147 545839992 /nfs/dbraw/zinc/83/99/92/545839992.db2.gz IVVJUMBVHMIMFF-UHFFFAOYSA-N 2 2 300.403 -1.026 20 0 DAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000662908132 545840184 /nfs/dbraw/zinc/84/01/84/545840184.db2.gz ZEEOJLPRUBJLEP-KGLIPLIRSA-N 2 2 323.441 -1.249 20 0 DAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000662908132 545840189 /nfs/dbraw/zinc/84/01/89/545840189.db2.gz ZEEOJLPRUBJLEP-KGLIPLIRSA-N 2 2 323.441 -1.249 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662929082 545841569 /nfs/dbraw/zinc/84/15/69/545841569.db2.gz XWMXUMKVOTVPRG-VXGBXAGGSA-N 2 2 316.377 -1.325 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662940355 545841800 /nfs/dbraw/zinc/84/18/00/545841800.db2.gz MJBWDAFRDRIPMA-GFCCVEGCSA-N 2 2 300.403 -1.027 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111745 782170737 /nfs/dbraw/zinc/17/07/37/782170737.db2.gz KFQGBURKHYZEQA-QJPTWQEYSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111745 782170745 /nfs/dbraw/zinc/17/07/45/782170745.db2.gz KFQGBURKHYZEQA-QJPTWQEYSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111745 782170749 /nfs/dbraw/zinc/17/07/49/782170749.db2.gz KFQGBURKHYZEQA-QJPTWQEYSA-N 2 2 300.403 -1.378 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111745 782170753 /nfs/dbraw/zinc/17/07/53/782170753.db2.gz KFQGBURKHYZEQA-QJPTWQEYSA-N 2 2 300.403 -1.378 20 0 DAADLP CN1CCO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000912388019 663153297 /nfs/dbraw/zinc/15/32/97/663153297.db2.gz UEKDUOFOGCSHCC-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863751301 663925487 /nfs/dbraw/zinc/92/54/87/663925487.db2.gz GRDJAGPSEUDQSK-LBPRGKRZSA-N 2 2 300.403 -1.027 20 0 DAADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958250 662335404 /nfs/dbraw/zinc/33/54/04/662335404.db2.gz KINCEEVVAFOFGM-NTZNESFSSA-N 2 2 312.414 -1.112 20 0 DAADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958250 662335409 /nfs/dbraw/zinc/33/54/09/662335409.db2.gz KINCEEVVAFOFGM-NTZNESFSSA-N 2 2 312.414 -1.112 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)C1 ZINC000970091933 662341596 /nfs/dbraw/zinc/34/15/96/662341596.db2.gz VMIUFIUYEWDFHS-TUAOUCFPSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)C1 ZINC000970091933 662341598 /nfs/dbraw/zinc/34/15/98/662341598.db2.gz VMIUFIUYEWDFHS-TUAOUCFPSA-N 2 2 321.381 -1.408 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000970104933 662343024 /nfs/dbraw/zinc/34/30/24/662343024.db2.gz IJOMRLQOHXOCNV-SNVBAGLBSA-N 2 2 320.353 -1.306 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020819007 662343762 /nfs/dbraw/zinc/34/37/62/662343762.db2.gz NUQWDZYYSDRRQZ-OPRDCNLKSA-N 2 2 305.338 -1.006 20 0 DAADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190451 662349028 /nfs/dbraw/zinc/34/90/28/662349028.db2.gz MVAFEVDDNYOUHC-YPPMETMDSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CC(N)=O)C1 ZINC000970190451 662349031 /nfs/dbraw/zinc/34/90/31/662349031.db2.gz MVAFEVDDNYOUHC-YPPMETMDSA-N 2 2 322.409 -1.229 20 0 DAADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021080436 662354100 /nfs/dbraw/zinc/35/41/00/662354100.db2.gz NGKHCKMULUVILR-YRGRVCCFSA-N 2 2 310.398 -1.181 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970481555 662363388 /nfs/dbraw/zinc/36/33/88/662363388.db2.gz GFFCVCUBKNDINW-ZYHUDNBSSA-N 2 2 319.365 -1.042 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC000970712817 662368295 /nfs/dbraw/zinc/36/82/95/662368295.db2.gz SZUQUZPVNJPWQA-GHMZBOCLSA-N 2 2 308.386 -1.249 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC000970712817 662368300 /nfs/dbraw/zinc/36/83/00/662368300.db2.gz SZUQUZPVNJPWQA-GHMZBOCLSA-N 2 2 308.386 -1.249 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000970719793 662368504 /nfs/dbraw/zinc/36/85/04/662368504.db2.gz LGZQKFXSYOZREI-LLVKDONJSA-N 2 2 308.386 -1.105 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021928006 662383075 /nfs/dbraw/zinc/38/30/75/662383075.db2.gz KXFHUKZOJYTERN-TUAOUCFPSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021928006 662383077 /nfs/dbraw/zinc/38/30/77/662383077.db2.gz KXFHUKZOJYTERN-TUAOUCFPSA-N 2 2 308.386 -1.118 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001021927956 662383290 /nfs/dbraw/zinc/38/32/90/662383290.db2.gz KATMWYAJUIOIHP-YFKTTZPYSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001021927956 662383291 /nfs/dbraw/zinc/38/32/91/662383291.db2.gz KATMWYAJUIOIHP-YFKTTZPYSA-N 2 2 323.401 -1.162 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022775637 662405387 /nfs/dbraw/zinc/40/53/87/662405387.db2.gz BFHUHIXICVTCDI-WCABBAIRSA-N 2 2 305.338 -1.006 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022976821 662420874 /nfs/dbraw/zinc/42/08/74/662420874.db2.gz JQZLCYKRLRVFFE-AOOOYVTPSA-N 2 2 304.358 -1.077 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001023159098 662434781 /nfs/dbraw/zinc/43/47/81/662434781.db2.gz QMLFWPVLGZTIBJ-BETUJISGSA-N 2 2 321.381 -1.021 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001023216594 662441257 /nfs/dbraw/zinc/44/12/57/662441257.db2.gz IRJSDKFALXGFIY-FRRDWIJNSA-N 2 2 321.381 -1.266 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001023216594 662441260 /nfs/dbraw/zinc/44/12/60/662441260.db2.gz IRJSDKFALXGFIY-FRRDWIJNSA-N 2 2 321.381 -1.266 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023787654 662460075 /nfs/dbraw/zinc/46/00/75/662460075.db2.gz NDXJZGCOQOTEIH-YNEHKIRRSA-N 2 2 321.381 -1.477 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC001023787654 662460079 /nfs/dbraw/zinc/46/00/79/662460079.db2.gz NDXJZGCOQOTEIH-YNEHKIRRSA-N 2 2 321.381 -1.477 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024416503 662472691 /nfs/dbraw/zinc/47/26/91/662472691.db2.gz BAXDSKQDPDOFCD-CHWSQXEVSA-N 2 2 321.381 -1.333 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024411277 662473254 /nfs/dbraw/zinc/47/32/54/662473254.db2.gz IGRFAECOUZXAFA-FRRDWIJNSA-N 2 2 321.381 -1.335 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024411277 662473255 /nfs/dbraw/zinc/47/32/55/662473255.db2.gz IGRFAECOUZXAFA-FRRDWIJNSA-N 2 2 321.381 -1.335 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133092 662528699 /nfs/dbraw/zinc/52/86/99/662528699.db2.gz KOBXOWGHFKBJJH-GJZGRUSLSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133092 662528701 /nfs/dbraw/zinc/52/87/01/662528701.db2.gz KOBXOWGHFKBJJH-GJZGRUSLSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133092 662528705 /nfs/dbraw/zinc/52/87/05/662528705.db2.gz KOBXOWGHFKBJJH-GJZGRUSLSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133092 662528694 /nfs/dbraw/zinc/52/86/94/662528694.db2.gz KOBXOWGHFKBJJH-GJZGRUSLSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133094 662528914 /nfs/dbraw/zinc/52/89/14/662528914.db2.gz KOBXOWGHFKBJJH-LSDHHAIUSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133094 662528916 /nfs/dbraw/zinc/52/89/16/662528916.db2.gz KOBXOWGHFKBJJH-LSDHHAIUSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133094 662528918 /nfs/dbraw/zinc/52/89/18/662528918.db2.gz KOBXOWGHFKBJJH-LSDHHAIUSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314133094 662528920 /nfs/dbraw/zinc/52/89/20/662528920.db2.gz KOBXOWGHFKBJJH-LSDHHAIUSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133093 662529007 /nfs/dbraw/zinc/52/90/07/662529007.db2.gz KOBXOWGHFKBJJH-HUUCEWRRSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133093 662529012 /nfs/dbraw/zinc/52/90/12/662529012.db2.gz KOBXOWGHFKBJJH-HUUCEWRRSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133093 662529014 /nfs/dbraw/zinc/52/90/14/662529014.db2.gz KOBXOWGHFKBJJH-HUUCEWRRSA-N 3 2 300.447 -1.095 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314133093 662529016 /nfs/dbraw/zinc/52/90/16/662529016.db2.gz KOBXOWGHFKBJJH-HUUCEWRRSA-N 3 2 300.447 -1.095 20 0 DAADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC001025801449 662533052 /nfs/dbraw/zinc/53/30/52/662533052.db2.gz SMAVCLKVRXIVAO-JHJVBQTASA-N 2 2 323.397 -1.020 20 0 DAADLP C[NH+](C)CC(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725882927 662542446 /nfs/dbraw/zinc/54/24/46/662542446.db2.gz XBAWBODDGOQKFN-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977948108 662607402 /nfs/dbraw/zinc/60/74/02/662607402.db2.gz BFNYZWYWGXKMEG-RVMXOQNASA-N 2 2 310.398 -1.643 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977948108 662607405 /nfs/dbraw/zinc/60/74/05/662607405.db2.gz BFNYZWYWGXKMEG-RVMXOQNASA-N 2 2 310.398 -1.643 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977948108 662607406 /nfs/dbraw/zinc/60/74/06/662607406.db2.gz BFNYZWYWGXKMEG-RVMXOQNASA-N 2 2 310.398 -1.643 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977948108 662607409 /nfs/dbraw/zinc/60/74/09/662607409.db2.gz BFNYZWYWGXKMEG-RVMXOQNASA-N 2 2 310.398 -1.643 20 0 DAADLP Cn1nnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077765 662619680 /nfs/dbraw/zinc/61/96/80/662619680.db2.gz XENRYLCADTULIZ-LPWJVIDDSA-N 2 2 319.413 -1.044 20 0 DAADLP Cn1nnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077765 662619682 /nfs/dbraw/zinc/61/96/82/662619682.db2.gz XENRYLCADTULIZ-LPWJVIDDSA-N 2 2 319.413 -1.044 20 0 DAADLP Cn1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979077765 662619684 /nfs/dbraw/zinc/61/96/84/662619684.db2.gz XENRYLCADTULIZ-LPWJVIDDSA-N 2 2 319.413 -1.044 20 0 DAADLP Cn1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979077765 662619685 /nfs/dbraw/zinc/61/96/85/662619685.db2.gz XENRYLCADTULIZ-LPWJVIDDSA-N 2 2 319.413 -1.044 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805120 662624779 /nfs/dbraw/zinc/62/47/79/662624779.db2.gz NOIQIXOCNBSMNB-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805120 662624780 /nfs/dbraw/zinc/62/47/80/662624780.db2.gz NOIQIXOCNBSMNB-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805120 662624781 /nfs/dbraw/zinc/62/47/81/662624781.db2.gz NOIQIXOCNBSMNB-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805120 662624782 /nfs/dbraw/zinc/62/47/82/662624782.db2.gz NOIQIXOCNBSMNB-OLZOCXBDSA-N 2 2 312.414 -1.014 20 0 DAADLP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037341 662642182 /nfs/dbraw/zinc/64/21/82/662642182.db2.gz VIIYUTMQHMIHMT-BWAOXVRWSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037341 662642184 /nfs/dbraw/zinc/64/21/84/662642184.db2.gz VIIYUTMQHMIHMT-BWAOXVRWSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037341 662642186 /nfs/dbraw/zinc/64/21/86/662642186.db2.gz VIIYUTMQHMIHMT-BWAOXVRWSA-N 2 2 322.409 -1.085 20 0 DAADLP NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037341 662642188 /nfs/dbraw/zinc/64/21/88/662642188.db2.gz VIIYUTMQHMIHMT-BWAOXVRWSA-N 2 2 322.409 -1.085 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995243 662695051 /nfs/dbraw/zinc/69/50/51/662695051.db2.gz JWZUHDAREAHEDI-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995243 662695052 /nfs/dbraw/zinc/69/50/52/662695052.db2.gz JWZUHDAREAHEDI-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC)C2)C1 ZINC001028995243 662695053 /nfs/dbraw/zinc/69/50/53/662695053.db2.gz JWZUHDAREAHEDI-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995243 662695054 /nfs/dbraw/zinc/69/50/54/662695054.db2.gz JWZUHDAREAHEDI-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCNC2=O)C1 ZINC001029254904 662698360 /nfs/dbraw/zinc/69/83/60/662698360.db2.gz GPSIAFBBFHSAKP-RQJABVFESA-N 2 2 322.409 -1.119 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCNC2=O)C1 ZINC001029254904 662698362 /nfs/dbraw/zinc/69/83/62/662698362.db2.gz GPSIAFBBFHSAKP-RQJABVFESA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254904 662698364 /nfs/dbraw/zinc/69/83/64/662698364.db2.gz GPSIAFBBFHSAKP-RQJABVFESA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254904 662698367 /nfs/dbraw/zinc/69/83/67/662698367.db2.gz GPSIAFBBFHSAKP-RQJABVFESA-N 2 2 322.409 -1.119 20 0 DAADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000897716736 662745280 /nfs/dbraw/zinc/74/52/80/662745280.db2.gz KFSNCGWXDDPYKN-OLZOCXBDSA-N 2 2 311.430 -1.441 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990509677 662764135 /nfs/dbraw/zinc/76/41/35/662764135.db2.gz ZVORZXXPKLDDHK-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990509677 662764138 /nfs/dbraw/zinc/76/41/38/662764138.db2.gz ZVORZXXPKLDDHK-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990509677 662764141 /nfs/dbraw/zinc/76/41/41/662764141.db2.gz ZVORZXXPKLDDHK-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990509677 662764143 /nfs/dbraw/zinc/76/41/43/662764143.db2.gz ZVORZXXPKLDDHK-CHWSQXEVSA-N 2 2 310.398 -1.262 20 0 DAADLP CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC000990618871 662768229 /nfs/dbraw/zinc/76/82/29/662768229.db2.gz UUXUVDORWXDJCR-OLZOCXBDSA-N 2 2 312.414 -1.016 20 0 DAADLP CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC000990618871 662768231 /nfs/dbraw/zinc/76/82/31/662768231.db2.gz UUXUVDORWXDJCR-OLZOCXBDSA-N 2 2 312.414 -1.016 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628967 662769272 /nfs/dbraw/zinc/76/92/72/662769272.db2.gz HLVJTUCRCRNVQT-TZMCWYRMSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628967 662769273 /nfs/dbraw/zinc/76/92/73/662769273.db2.gz HLVJTUCRCRNVQT-TZMCWYRMSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990628967 662769275 /nfs/dbraw/zinc/76/92/75/662769275.db2.gz HLVJTUCRCRNVQT-TZMCWYRMSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990628967 662769277 /nfs/dbraw/zinc/76/92/77/662769277.db2.gz HLVJTUCRCRNVQT-TZMCWYRMSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675327 662778695 /nfs/dbraw/zinc/77/86/95/662778695.db2.gz QUNSWAHGISICAB-ZDUSSCGKSA-N 2 2 323.441 -1.297 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675327 662778697 /nfs/dbraw/zinc/77/86/97/662778697.db2.gz QUNSWAHGISICAB-ZDUSSCGKSA-N 2 2 323.441 -1.297 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900984900 662780415 /nfs/dbraw/zinc/78/04/15/662780415.db2.gz QHDPWLMWKJVTSB-YDHLFZDLSA-N 2 2 315.414 -1.407 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900984900 662780420 /nfs/dbraw/zinc/78/04/20/662780420.db2.gz QHDPWLMWKJVTSB-YDHLFZDLSA-N 2 2 315.414 -1.407 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000905008884 662793269 /nfs/dbraw/zinc/79/32/69/662793269.db2.gz ARVYONBUCBZVDR-XJKSGUPXSA-N 2 2 324.425 -1.134 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000905012149 662793326 /nfs/dbraw/zinc/79/33/26/662793326.db2.gz ZEWRKOJORMYBGR-ZENOOKHLSA-N 2 2 324.425 -1.149 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)CC1 ZINC000904989457 662793584 /nfs/dbraw/zinc/79/35/84/662793584.db2.gz YIPZIPMBJIWLQX-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000905023779 662794661 /nfs/dbraw/zinc/79/46/61/662794661.db2.gz VPCZNMSQFJSNIL-KBPBESRZSA-N 2 2 322.409 -1.094 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000905021511 662794751 /nfs/dbraw/zinc/79/47/51/662794751.db2.gz MRQHDBNCTVPFLC-GFCCVEGCSA-N 2 2 312.414 -1.014 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000905021511 662794754 /nfs/dbraw/zinc/79/47/54/662794754.db2.gz MRQHDBNCTVPFLC-GFCCVEGCSA-N 2 2 312.414 -1.014 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000911248547 663140170 /nfs/dbraw/zinc/14/01/70/663140170.db2.gz XKZQNEUUFNZDLX-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911369886 663143522 /nfs/dbraw/zinc/14/35/22/663143522.db2.gz GMQWHVXNWYFMKJ-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP CN1CCO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000912388018 663153050 /nfs/dbraw/zinc/15/30/50/663153050.db2.gz UEKDUOFOGCSHCC-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CN1CCO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000912388018 663153054 /nfs/dbraw/zinc/15/30/54/663153054.db2.gz UEKDUOFOGCSHCC-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP CN1CCO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000912388019 663153296 /nfs/dbraw/zinc/15/32/96/663153296.db2.gz UEKDUOFOGCSHCC-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913684474 663235610 /nfs/dbraw/zinc/23/56/10/663235610.db2.gz XJADUHJKEGHENS-DOMZBBRYSA-N 2 2 312.414 -1.326 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913684474 663235613 /nfs/dbraw/zinc/23/56/13/663235613.db2.gz XJADUHJKEGHENS-DOMZBBRYSA-N 2 2 312.414 -1.326 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000913684150 663235668 /nfs/dbraw/zinc/23/56/68/663235668.db2.gz IVBPJHGYYHESBT-AWEZNQCLSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913684475 663235825 /nfs/dbraw/zinc/23/58/25/663235825.db2.gz XJADUHJKEGHENS-IUODEOHRSA-N 2 2 312.414 -1.326 20 0 DAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913684475 663235830 /nfs/dbraw/zinc/23/58/30/663235830.db2.gz XJADUHJKEGHENS-IUODEOHRSA-N 2 2 312.414 -1.326 20 0 DAADLP CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001031597247 663301577 /nfs/dbraw/zinc/30/15/77/663301577.db2.gz XRTYPIYLKVUDFV-ZIAGYGMSSA-N 2 2 324.425 -1.014 20 0 DAADLP CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001031597247 663301582 /nfs/dbraw/zinc/30/15/82/663301582.db2.gz XRTYPIYLKVUDFV-ZIAGYGMSSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001031595264 663301851 /nfs/dbraw/zinc/30/18/51/663301851.db2.gz SKOHDWXLVKGSMR-STQMWFEESA-N 2 2 310.398 -1.356 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001031595264 663301854 /nfs/dbraw/zinc/30/18/54/663301854.db2.gz SKOHDWXLVKGSMR-STQMWFEESA-N 2 2 310.398 -1.356 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)O1 ZINC001031765827 663340424 /nfs/dbraw/zinc/34/04/24/663340424.db2.gz QUIVZUBTTSEYJJ-DGCLKSJQSA-N 2 2 312.414 -1.158 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)O1 ZINC001031765827 663340428 /nfs/dbraw/zinc/34/04/28/663340428.db2.gz QUIVZUBTTSEYJJ-DGCLKSJQSA-N 2 2 312.414 -1.158 20 0 DAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856706 663365588 /nfs/dbraw/zinc/36/55/88/663365588.db2.gz GNCRGWIVCICKGT-JYHUIVOISA-N 2 2 308.382 -1.617 20 0 DAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856706 663365591 /nfs/dbraw/zinc/36/55/91/663365591.db2.gz GNCRGWIVCICKGT-JYHUIVOISA-N 2 2 308.382 -1.617 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)C1 ZINC001032201951 663452140 /nfs/dbraw/zinc/45/21/40/663452140.db2.gz LLDITBQOQWBACX-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)C1 ZINC001032201951 663452141 /nfs/dbraw/zinc/45/21/41/663452141.db2.gz LLDITBQOQWBACX-CQSZACIVSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCN(C(=O)CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000733975372 663489304 /nfs/dbraw/zinc/48/93/04/663489304.db2.gz SUNPCNYQCPECCQ-UHFFFAOYSA-N 2 2 312.414 -1.011 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546330 663589402 /nfs/dbraw/zinc/58/94/02/663589402.db2.gz HASBGZVVNCSEKS-YPMHNXCESA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546330 663589403 /nfs/dbraw/zinc/58/94/03/663589403.db2.gz HASBGZVVNCSEKS-YPMHNXCESA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000546330 663589404 /nfs/dbraw/zinc/58/94/04/663589404.db2.gz HASBGZVVNCSEKS-YPMHNXCESA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@H](C(N)=O)[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000546330 663589405 /nfs/dbraw/zinc/58/94/05/663589405.db2.gz HASBGZVVNCSEKS-YPMHNXCESA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)O1 ZINC001000838096 663592166 /nfs/dbraw/zinc/59/21/66/663592166.db2.gz SDCKKMJWFINRHL-DGCLKSJQSA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC(N)=O)CC2)O1 ZINC001000838096 663592168 /nfs/dbraw/zinc/59/21/68/663592168.db2.gz SDCKKMJWFINRHL-DGCLKSJQSA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)O1 ZINC001000838096 663592171 /nfs/dbraw/zinc/59/21/71/663592171.db2.gz SDCKKMJWFINRHL-DGCLKSJQSA-N 2 2 310.398 -1.061 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)O1 ZINC001000838096 663592174 /nfs/dbraw/zinc/59/21/74/663592174.db2.gz SDCKKMJWFINRHL-DGCLKSJQSA-N 2 2 310.398 -1.061 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001001202389 663598176 /nfs/dbraw/zinc/59/81/76/663598176.db2.gz CCCRRWJTWPNNLZ-KGLIPLIRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001001202389 663598177 /nfs/dbraw/zinc/59/81/77/663598177.db2.gz CCCRRWJTWPNNLZ-KGLIPLIRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001202389 663598178 /nfs/dbraw/zinc/59/81/78/663598178.db2.gz CCCRRWJTWPNNLZ-KGLIPLIRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001202389 663598179 /nfs/dbraw/zinc/59/81/79/663598179.db2.gz CCCRRWJTWPNNLZ-KGLIPLIRSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929259492 663618969 /nfs/dbraw/zinc/61/89/69/663618969.db2.gz DNZMPQNFUKMOIT-CYBMUJFWSA-N 2 2 315.414 -1.405 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C1 ZINC000625712246 663658739 /nfs/dbraw/zinc/65/87/39/663658739.db2.gz SHSQCMGVBXCJBX-IHRRRGAJSA-N 2 2 315.414 -1.503 20 0 DAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C1 ZINC000625712246 663658742 /nfs/dbraw/zinc/65/87/42/663658742.db2.gz SHSQCMGVBXCJBX-IHRRRGAJSA-N 2 2 315.414 -1.503 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035480727 663684333 /nfs/dbraw/zinc/68/43/33/663684333.db2.gz AWPABXWEFYIOLT-KBPBESRZSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035480727 663684335 /nfs/dbraw/zinc/68/43/35/663684335.db2.gz AWPABXWEFYIOLT-KBPBESRZSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035480727 663684336 /nfs/dbraw/zinc/68/43/36/663684336.db2.gz AWPABXWEFYIOLT-KBPBESRZSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035480727 663684338 /nfs/dbraw/zinc/68/43/38/663684338.db2.gz AWPABXWEFYIOLT-KBPBESRZSA-N 2 2 315.414 -1.095 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001035608213 663688512 /nfs/dbraw/zinc/68/85/12/663688512.db2.gz 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CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035608212 663688666 /nfs/dbraw/zinc/68/86/66/663688666.db2.gz ZAKODIMQOMIYQX-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035608212 663688669 /nfs/dbraw/zinc/68/86/69/663688669.db2.gz ZAKODIMQOMIYQX-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333818 663696571 /nfs/dbraw/zinc/69/65/71/663696571.db2.gz TUYSTSNMUOMCHK-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333818 663696572 /nfs/dbraw/zinc/69/65/72/663696572.db2.gz TUYSTSNMUOMCHK-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333821 663696658 /nfs/dbraw/zinc/69/66/58/663696658.db2.gz TUYSTSNMUOMCHK-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP COCCOC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333821 663696661 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O=C(Cn1cc[nH+]c1)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946932986 663699481 /nfs/dbraw/zinc/69/94/81/663699481.db2.gz QDRMAUCVZFSRIE-GFCCVEGCSA-N 2 2 321.381 -1.285 20 0 DAADLP NS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000740423506 663794640 /nfs/dbraw/zinc/79/46/40/663794640.db2.gz KLQSJTJZPQVGFI-STQMWFEESA-N 2 2 320.459 -1.052 20 0 DAADLP NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000740423506 663794646 /nfs/dbraw/zinc/79/46/46/663794646.db2.gz KLQSJTJZPQVGFI-STQMWFEESA-N 2 2 320.459 -1.052 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000775098979 663821564 /nfs/dbraw/zinc/82/15/64/663821564.db2.gz IUVQCCLNILJXAU-QWHCGFSZSA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000775098979 663821565 /nfs/dbraw/zinc/82/15/65/663821565.db2.gz IUVQCCLNILJXAU-QWHCGFSZSA-N 2 2 321.381 -1.021 20 0 DAADLP CC1(C(N)=O)C[NH+](CC2(C[NH+]3CC(C)(C(N)=O)C3)COC2)C1 ZINC000829070464 663870437 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ZINC001015326402 664562164 /nfs/dbraw/zinc/56/21/64/664562164.db2.gz ZOAMMUAKNSCKHL-BWAOXVRWSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326402 664562165 /nfs/dbraw/zinc/56/21/65/664562165.db2.gz ZOAMMUAKNSCKHL-BWAOXVRWSA-N 2 2 322.409 -1.214 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016551844 664575750 /nfs/dbraw/zinc/57/57/50/664575750.db2.gz FZJNSNVXCBALLE-RYUDHWBXSA-N 2 2 310.398 -1.227 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)C1 ZINC001016551844 664575751 /nfs/dbraw/zinc/57/57/51/664575751.db2.gz FZJNSNVXCBALLE-RYUDHWBXSA-N 2 2 310.398 -1.227 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001018628111 664588250 /nfs/dbraw/zinc/58/82/50/664588250.db2.gz JZODQQRZGUVOSX-QWRGUYRKSA-N 2 2 308.386 -1.107 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001018628111 664588253 /nfs/dbraw/zinc/58/82/53/664588253.db2.gz JZODQQRZGUVOSX-QWRGUYRKSA-N 2 2 308.386 -1.107 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019438602 664600820 /nfs/dbraw/zinc/60/08/20/664600820.db2.gz PSIBKJQJLIBNDL-GXSJLCMTSA-N 2 2 305.338 -1.052 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001019800595 664604866 /nfs/dbraw/zinc/60/48/66/664604866.db2.gz QOMKCDWPZDISNC-NWDGAFQWSA-N 2 2 323.401 -1.379 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001019800595 664604869 /nfs/dbraw/zinc/60/48/69/664604869.db2.gz QOMKCDWPZDISNC-NWDGAFQWSA-N 2 2 323.401 -1.379 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019867723 664605849 /nfs/dbraw/zinc/60/58/49/664605849.db2.gz HCFRVXIPEYJNDT-WDEREUQCSA-N 2 2 305.338 -1.121 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001020046175 664608276 /nfs/dbraw/zinc/60/82/76/664608276.db2.gz WQWCUENYUNDREH-DCAQKATOSA-N 2 2 324.385 -1.824 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001020046175 664608278 /nfs/dbraw/zinc/60/82/78/664608278.db2.gz WQWCUENYUNDREH-DCAQKATOSA-N 2 2 324.385 -1.824 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947980 677689816 /nfs/dbraw/zinc/68/98/16/677689816.db2.gz FPLGFRKIMYKEAY-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058947980 677689817 /nfs/dbraw/zinc/68/98/17/677689817.db2.gz FPLGFRKIMYKEAY-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472484 677724262 /nfs/dbraw/zinc/72/42/62/677724262.db2.gz ADLAHFBNILIZKH-SYQHCUMBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472484 677724264 /nfs/dbraw/zinc/72/42/64/677724264.db2.gz ADLAHFBNILIZKH-SYQHCUMBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001083472484 677724267 /nfs/dbraw/zinc/72/42/67/677724267.db2.gz ADLAHFBNILIZKH-SYQHCUMBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC[NH+]1C ZINC001083472484 677724272 /nfs/dbraw/zinc/72/42/72/677724272.db2.gz ADLAHFBNILIZKH-SYQHCUMBSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001083472681 677724365 /nfs/dbraw/zinc/72/43/65/677724365.db2.gz LEWFDTZMBVSUCC-LPWJVIDDSA-N 2 2 312.414 -1.424 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001083472681 677724367 /nfs/dbraw/zinc/72/43/67/677724367.db2.gz LEWFDTZMBVSUCC-LPWJVIDDSA-N 2 2 312.414 -1.424 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001083472681 677724369 /nfs/dbraw/zinc/72/43/69/677724369.db2.gz LEWFDTZMBVSUCC-LPWJVIDDSA-N 2 2 312.414 -1.424 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001083472681 677724371 /nfs/dbraw/zinc/72/43/71/677724371.db2.gz LEWFDTZMBVSUCC-LPWJVIDDSA-N 2 2 312.414 -1.424 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643575 677690036 /nfs/dbraw/zinc/69/00/36/677690036.db2.gz CZJBBJYYNLEXAZ-BFHYXJOUSA-N 2 2 324.425 -1.062 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643575 677690037 /nfs/dbraw/zinc/69/00/37/677690037.db2.gz CZJBBJYYNLEXAZ-BFHYXJOUSA-N 2 2 324.425 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643575 677690038 /nfs/dbraw/zinc/69/00/38/677690038.db2.gz CZJBBJYYNLEXAZ-BFHYXJOUSA-N 2 2 324.425 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643575 677690039 /nfs/dbraw/zinc/69/00/39/677690039.db2.gz CZJBBJYYNLEXAZ-BFHYXJOUSA-N 2 2 324.425 -1.062 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465954 677721756 /nfs/dbraw/zinc/72/17/56/677721756.db2.gz ZFOMCBTXAWLKGP-MCIONIFRSA-N 2 2 324.425 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465954 677721758 /nfs/dbraw/zinc/72/17/58/677721758.db2.gz ZFOMCBTXAWLKGP-MCIONIFRSA-N 2 2 324.425 -1.422 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076576691 677744813 /nfs/dbraw/zinc/74/48/13/677744813.db2.gz WEIADOACEOFCTF-MELADBBJSA-N 2 2 324.425 -1.027 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076576691 677744815 /nfs/dbraw/zinc/74/48/15/677744815.db2.gz WEIADOACEOFCTF-MELADBBJSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083571704 677799622 /nfs/dbraw/zinc/79/96/22/677799622.db2.gz IMJXHAFCOZDVCQ-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083571704 677799623 /nfs/dbraw/zinc/79/96/23/677799623.db2.gz IMJXHAFCOZDVCQ-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083571704 677799624 /nfs/dbraw/zinc/79/96/24/677799624.db2.gz IMJXHAFCOZDVCQ-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083571704 677799625 /nfs/dbraw/zinc/79/96/25/677799625.db2.gz IMJXHAFCOZDVCQ-MCIONIFRSA-N 2 2 322.413 -1.076 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392869 677803016 /nfs/dbraw/zinc/80/30/16/677803016.db2.gz VQFCLINCVMGLLC-GRYCIOLGSA-N 2 2 309.370 -1.383 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392869 677803020 /nfs/dbraw/zinc/80/30/20/677803020.db2.gz VQFCLINCVMGLLC-GRYCIOLGSA-N 2 2 309.370 -1.383 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001077394759 677803353 /nfs/dbraw/zinc/80/33/53/677803353.db2.gz BWDYWPKNUXBESI-FRRDWIJNSA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001077394759 677803355 /nfs/dbraw/zinc/80/33/55/677803355.db2.gz BWDYWPKNUXBESI-FRRDWIJNSA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077392463 677803399 /nfs/dbraw/zinc/80/33/99/677803399.db2.gz CMHSFXWZSVDQEC-JHJVBQTASA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077392463 677803402 /nfs/dbraw/zinc/80/34/02/677803402.db2.gz CMHSFXWZSVDQEC-JHJVBQTASA-N 2 2 323.397 -1.170 20 0 DAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590660 677807003 /nfs/dbraw/zinc/80/70/03/677807003.db2.gz PTFVIIDGCPGYEU-WQAKAFBOSA-N 2 2 312.370 -1.108 20 0 DAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590660 677807006 /nfs/dbraw/zinc/80/70/06/677807006.db2.gz PTFVIIDGCPGYEU-WQAKAFBOSA-N 2 2 312.370 -1.108 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001083644929 677816059 /nfs/dbraw/zinc/81/60/59/677816059.db2.gz CMHSFXWZSVDQEC-UPJWGTAASA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001083644929 677816063 /nfs/dbraw/zinc/81/60/63/677816063.db2.gz CMHSFXWZSVDQEC-UPJWGTAASA-N 2 2 323.397 -1.170 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182292 677822294 /nfs/dbraw/zinc/82/22/94/677822294.db2.gz GMHQOSWCYNMXEB-GXTWGEPZSA-N 2 2 301.387 -1.578 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182294 677823077 /nfs/dbraw/zinc/82/30/77/677823077.db2.gz GMHQOSWCYNMXEB-OCCSQVGLSA-N 2 2 301.387 -1.578 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182295 677823097 /nfs/dbraw/zinc/82/30/97/677823097.db2.gz GMHQOSWCYNMXEB-TZMCWYRMSA-N 2 2 301.387 -1.578 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000913548585 677824700 /nfs/dbraw/zinc/82/47/00/677824700.db2.gz OTFGQXRZRNSPQY-OLZOCXBDSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000913548585 677824702 /nfs/dbraw/zinc/82/47/02/677824702.db2.gz OTFGQXRZRNSPQY-OLZOCXBDSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1=O ZINC000913548587 677824813 /nfs/dbraw/zinc/82/48/13/677824813.db2.gz OTFGQXRZRNSPQY-STQMWFEESA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1=O ZINC000913548587 677824815 /nfs/dbraw/zinc/82/48/15/677824815.db2.gz OTFGQXRZRNSPQY-STQMWFEESA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040800737 677851784 /nfs/dbraw/zinc/85/17/84/677851784.db2.gz JLFWXRJCFCPYJY-OAHLLOKOSA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750249 677855620 /nfs/dbraw/zinc/85/56/20/677855620.db2.gz MFTCCOMYXRGMIE-RTXFEEFZSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750249 677855624 /nfs/dbraw/zinc/85/56/24/677855624.db2.gz MFTCCOMYXRGMIE-RTXFEEFZSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750250 677855723 /nfs/dbraw/zinc/85/57/23/677855723.db2.gz MFTCCOMYXRGMIE-UHTWSYAYSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750250 677855727 /nfs/dbraw/zinc/85/57/27/677855727.db2.gz MFTCCOMYXRGMIE-UHTWSYAYSA-N 2 2 312.414 -1.376 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618900 677869740 /nfs/dbraw/zinc/86/97/40/677869740.db2.gz UYZZKFKLJILJRQ-MGPQQGTHSA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001077618900 677869745 /nfs/dbraw/zinc/86/97/45/677869745.db2.gz UYZZKFKLJILJRQ-MGPQQGTHSA-N 2 2 324.425 -1.280 20 0 DAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C2 ZINC001077682598 677873606 /nfs/dbraw/zinc/87/36/06/677873606.db2.gz AZQDBTZUOAJRPH-MRVWCRGKSA-N 2 2 308.382 -1.092 20 0 DAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C2 ZINC001077682598 677873610 /nfs/dbraw/zinc/87/36/10/677873610.db2.gz AZQDBTZUOAJRPH-MRVWCRGKSA-N 2 2 308.382 -1.092 20 0 DAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006093 677904083 /nfs/dbraw/zinc/90/40/83/677904083.db2.gz RXVGYQBPNIPEMX-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006093 677904086 /nfs/dbraw/zinc/90/40/86/677904086.db2.gz RXVGYQBPNIPEMX-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006093 677904090 /nfs/dbraw/zinc/90/40/90/677904090.db2.gz RXVGYQBPNIPEMX-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006093 677904095 /nfs/dbraw/zinc/90/40/95/677904095.db2.gz RXVGYQBPNIPEMX-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012237 677904388 /nfs/dbraw/zinc/90/43/88/677904388.db2.gz YPMJHXRPGQVUEF-JHJVBQTASA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012237 677904392 /nfs/dbraw/zinc/90/43/92/677904392.db2.gz YPMJHXRPGQVUEF-JHJVBQTASA-N 2 2 324.425 -1.280 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012297 677904492 /nfs/dbraw/zinc/90/44/92/677904492.db2.gz ZYVJNHOGIGGYMB-GRYCIOLGSA-N 2 2 310.398 -1.493 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012297 677904496 /nfs/dbraw/zinc/90/44/96/677904496.db2.gz ZYVJNHOGIGGYMB-GRYCIOLGSA-N 2 2 310.398 -1.493 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180153 677915513 /nfs/dbraw/zinc/91/55/13/677915513.db2.gz PGNWJFFNOWGZFH-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180153 677915516 /nfs/dbraw/zinc/91/55/16/677915516.db2.gz PGNWJFFNOWGZFH-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174750 677917065 /nfs/dbraw/zinc/91/70/65/677917065.db2.gz REIMSKFMANOXKH-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174750 677917068 /nfs/dbraw/zinc/91/70/68/677917068.db2.gz REIMSKFMANOXKH-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174750 677917069 /nfs/dbraw/zinc/91/70/69/677917069.db2.gz REIMSKFMANOXKH-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174750 677917072 /nfs/dbraw/zinc/91/70/72/677917072.db2.gz REIMSKFMANOXKH-BFHYXJOUSA-N 2 2 324.425 -1.278 20 0 DAADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001078174318 677917285 /nfs/dbraw/zinc/91/72/85/677917285.db2.gz IDMQVBQMYNCVEF-IACUBPJLSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1)C1CC1 ZINC001078174318 677917289 /nfs/dbraw/zinc/91/72/89/677917289.db2.gz IDMQVBQMYNCVEF-IACUBPJLSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001078174318 677917293 /nfs/dbraw/zinc/91/72/93/677917293.db2.gz IDMQVBQMYNCVEF-IACUBPJLSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001078174318 677917296 /nfs/dbraw/zinc/91/72/96/677917296.db2.gz IDMQVBQMYNCVEF-IACUBPJLSA-N 2 2 324.425 -1.280 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001078182308 677918778 /nfs/dbraw/zinc/91/87/78/677918778.db2.gz OWQOSEHRWYPLDW-FRRDWIJNSA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001078182308 677918781 /nfs/dbraw/zinc/91/87/81/677918781.db2.gz OWQOSEHRWYPLDW-FRRDWIJNSA-N 2 2 321.381 -1.416 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182435 677919380 /nfs/dbraw/zinc/91/93/80/677919380.db2.gz VOGXMQZTIYRSEU-GRYCIOLGSA-N 2 2 309.370 -1.383 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182435 677919387 /nfs/dbraw/zinc/91/93/87/677919387.db2.gz VOGXMQZTIYRSEU-GRYCIOLGSA-N 2 2 309.370 -1.383 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078514874 677927226 /nfs/dbraw/zinc/92/72/26/677927226.db2.gz ZZQZRHQAWUKUNO-CHWSQXEVSA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078514877 677927821 /nfs/dbraw/zinc/92/78/21/677927821.db2.gz ZZQZRHQAWUKUNO-STQMWFEESA-N 2 2 321.381 -1.021 20 0 DAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717544 678025936 /nfs/dbraw/zinc/02/59/36/678025936.db2.gz MYMMYQDVOHYOLD-DGCLKSJQSA-N 2 2 322.413 -1.020 20 0 DAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717544 678025939 /nfs/dbraw/zinc/02/59/39/678025939.db2.gz MYMMYQDVOHYOLD-DGCLKSJQSA-N 2 2 322.413 -1.020 20 0 DAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161059 678031784 /nfs/dbraw/zinc/03/17/84/678031784.db2.gz KRSDOFAAKVUKDC-KTGQDBSUSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161059 678031787 /nfs/dbraw/zinc/03/17/87/678031787.db2.gz KRSDOFAAKVUKDC-KTGQDBSUSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161059 678031790 /nfs/dbraw/zinc/03/17/90/678031790.db2.gz KRSDOFAAKVUKDC-KTGQDBSUSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161059 678031792 /nfs/dbraw/zinc/03/17/92/678031792.db2.gz KRSDOFAAKVUKDC-KTGQDBSUSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161060 678031892 /nfs/dbraw/zinc/03/18/92/678031892.db2.gz KRSDOFAAKVUKDC-RYMLTCQSSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080161060 678031894 /nfs/dbraw/zinc/03/18/94/678031894.db2.gz KRSDOFAAKVUKDC-RYMLTCQSSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161060 678031896 /nfs/dbraw/zinc/03/18/96/678031896.db2.gz KRSDOFAAKVUKDC-RYMLTCQSSA-N 2 2 322.409 -1.229 20 0 DAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161060 678031897 /nfs/dbraw/zinc/03/18/97/678031897.db2.gz KRSDOFAAKVUKDC-RYMLTCQSSA-N 2 2 322.409 -1.229 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001081579464 678085518 /nfs/dbraw/zinc/08/55/18/678085518.db2.gz BDPCHTZTZSVDFX-OLZOCXBDSA-N 2 2 323.397 -1.230 20 0 DAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328303 678114510 /nfs/dbraw/zinc/11/45/10/678114510.db2.gz NHJUBHJQJLFQDV-JHJVBQTASA-N 2 2 322.409 -1.214 20 0 DAADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328303 678114511 /nfs/dbraw/zinc/11/45/11/678114511.db2.gz NHJUBHJQJLFQDV-JHJVBQTASA-N 2 2 322.409 -1.214 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577768 678158918 /nfs/dbraw/zinc/15/89/18/678158918.db2.gz BXOZJOHFRCHDCV-NWDGAFQWSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577768 678158922 /nfs/dbraw/zinc/15/89/22/678158922.db2.gz BXOZJOHFRCHDCV-NWDGAFQWSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072577768 678158925 /nfs/dbraw/zinc/15/89/25/678158925.db2.gz BXOZJOHFRCHDCV-NWDGAFQWSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072577768 678158928 /nfs/dbraw/zinc/15/89/28/678158928.db2.gz BXOZJOHFRCHDCV-NWDGAFQWSA-N 2 2 310.398 -1.275 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578254 678159000 /nfs/dbraw/zinc/15/90/00/678159000.db2.gz IMNQVTXQQUWAOP-ZDUSSCGKSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578254 678159003 /nfs/dbraw/zinc/15/90/03/678159003.db2.gz IMNQVTXQQUWAOP-ZDUSSCGKSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578254 678159006 /nfs/dbraw/zinc/15/90/06/678159006.db2.gz IMNQVTXQQUWAOP-ZDUSSCGKSA-N 2 2 324.425 -1.061 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578254 678159008 /nfs/dbraw/zinc/15/90/08/678159008.db2.gz IMNQVTXQQUWAOP-ZDUSSCGKSA-N 2 2 324.425 -1.061 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577769 678159090 /nfs/dbraw/zinc/15/90/90/678159090.db2.gz BXOZJOHFRCHDCV-RYUDHWBXSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577769 678159094 /nfs/dbraw/zinc/15/90/94/678159094.db2.gz BXOZJOHFRCHDCV-RYUDHWBXSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072577769 678159095 /nfs/dbraw/zinc/15/90/95/678159095.db2.gz BXOZJOHFRCHDCV-RYUDHWBXSA-N 2 2 310.398 -1.275 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072577769 678159098 /nfs/dbraw/zinc/15/90/98/678159098.db2.gz BXOZJOHFRCHDCV-RYUDHWBXSA-N 2 2 310.398 -1.275 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC)C3)C1 ZINC001073447056 678171345 /nfs/dbraw/zinc/17/13/45/678171345.db2.gz CBWNOINMKKRUDO-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC)C3)C1 ZINC001073447056 678171349 /nfs/dbraw/zinc/17/13/49/678171349.db2.gz CBWNOINMKKRUDO-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC)C3)C1 ZINC001073447056 678171352 /nfs/dbraw/zinc/17/13/52/678171352.db2.gz CBWNOINMKKRUDO-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC)C3)C1 ZINC001073447056 678171354 /nfs/dbraw/zinc/17/13/54/678171354.db2.gz CBWNOINMKKRUDO-ZDUSSCGKSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073447348 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678733483 /nfs/dbraw/zinc/73/34/83/678733483.db2.gz PRPWMDAUYODXNL-LBPRGKRZSA-N 2 2 323.397 -1.159 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)C1=O ZINC001051848521 678776074 /nfs/dbraw/zinc/77/60/74/678776074.db2.gz UCURDGOLPOSBQW-CHWSQXEVSA-N 2 2 321.381 -1.000 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051947981 678781070 /nfs/dbraw/zinc/78/10/70/678781070.db2.gz HPEPAPABDUSVQK-NEPJUHHUSA-N 2 2 307.354 -1.411 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051948301 678781140 /nfs/dbraw/zinc/78/11/40/678781140.db2.gz KPHAODUVAJBDDO-STQMWFEESA-N 2 2 321.381 -1.021 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)C1=O ZINC001051951600 678781354 /nfs/dbraw/zinc/78/13/54/678781354.db2.gz KLAKETPBFYKAHQ-OLZOCXBDSA-N 2 2 321.381 -1.069 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116967 678786411 /nfs/dbraw/zinc/78/64/11/678786411.db2.gz CHISSVMQWSKQPQ-KGLIPLIRSA-N 2 2 323.441 -1.358 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116967 678786414 /nfs/dbraw/zinc/78/64/14/678786414.db2.gz CHISSVMQWSKQPQ-KGLIPLIRSA-N 2 2 323.441 -1.358 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390742998 678859878 /nfs/dbraw/zinc/85/98/78/678859878.db2.gz SKENVBVSEAXIRW-KGLIPLIRSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390742998 678859880 /nfs/dbraw/zinc/85/98/80/678859880.db2.gz SKENVBVSEAXIRW-KGLIPLIRSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390742998 678859881 /nfs/dbraw/zinc/85/98/81/678859881.db2.gz SKENVBVSEAXIRW-KGLIPLIRSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000390742998 678859882 /nfs/dbraw/zinc/85/98/82/678859882.db2.gz SKENVBVSEAXIRW-KGLIPLIRSA-N 3 2 316.446 -1.288 20 0 DAADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284775 678863947 /nfs/dbraw/zinc/86/39/47/678863947.db2.gz UFCDKCKSMUUFLT-MNOVXSKESA-N 2 2 318.341 -1.929 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070316889 678864579 /nfs/dbraw/zinc/86/45/79/678864579.db2.gz CBUAPPMGHIJLTF-OLZOCXBDSA-N 2 2 319.369 -1.114 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001070947412 678877075 /nfs/dbraw/zinc/87/70/75/678877075.db2.gz VPSBDLDSFVJHHF-ZDUSSCGKSA-N 2 2 312.414 -1.277 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCO)CC1 ZINC001070947412 678877079 /nfs/dbraw/zinc/87/70/79/678877079.db2.gz VPSBDLDSFVJHHF-ZDUSSCGKSA-N 2 2 312.414 -1.277 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070947412 678877083 /nfs/dbraw/zinc/87/70/83/678877083.db2.gz VPSBDLDSFVJHHF-ZDUSSCGKSA-N 2 2 312.414 -1.277 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070947412 678877087 /nfs/dbraw/zinc/87/70/87/678877087.db2.gz VPSBDLDSFVJHHF-ZDUSSCGKSA-N 2 2 312.414 -1.277 20 0 DAADLP C[C@H]([NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1)C(N)=O ZINC001202218391 782231165 /nfs/dbraw/zinc/23/11/65/782231165.db2.gz YOAVVFKMXWSKIG-RYUDHWBXSA-N 2 2 309.370 -1.036 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001153487971 782239692 /nfs/dbraw/zinc/23/96/92/782239692.db2.gz XCUVGHYIMPXZPS-UHFFFAOYSA-N 2 2 309.370 -1.116 20 0 DAADLP O=C1CO[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)CN1CCn1cc[nH+]c1 ZINC001274566408 782282699 /nfs/dbraw/zinc/28/26/99/782282699.db2.gz ZKEBAYXZXKBSIC-DZGCQCFKSA-N 2 2 324.381 -1.460 20 0 DAADLP O=C1CO[C@@]2(CC[N@H+](C[C@H](O)CO)C2)CN1CCn1cc[nH+]c1 ZINC001274566408 782282708 /nfs/dbraw/zinc/28/27/08/782282708.db2.gz ZKEBAYXZXKBSIC-DZGCQCFKSA-N 2 2 324.381 -1.460 20 0 DAADLP C[C@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001276297255 782336123 /nfs/dbraw/zinc/33/61/23/782336123.db2.gz IRJQNGCEGADEPS-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001276297254 782336361 /nfs/dbraw/zinc/33/63/61/782336361.db2.gz IRJQNGCEGADEPS-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047626374 782407156 /nfs/dbraw/zinc/40/71/56/782407156.db2.gz BGCYBTQYPVIGLY-AGIUHOORSA-N 2 2 312.414 -1.470 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047626374 782407160 /nfs/dbraw/zinc/40/71/60/782407160.db2.gz BGCYBTQYPVIGLY-AGIUHOORSA-N 2 2 312.414 -1.470 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047626374 782407168 /nfs/dbraw/zinc/40/71/68/782407168.db2.gz BGCYBTQYPVIGLY-AGIUHOORSA-N 2 2 312.414 -1.470 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047626374 782407176 /nfs/dbraw/zinc/40/71/76/782407176.db2.gz BGCYBTQYPVIGLY-AGIUHOORSA-N 2 2 312.414 -1.470 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630637 782408799 /nfs/dbraw/zinc/40/87/99/782408799.db2.gz WCJXJVDFVLXMTI-WXHSDQCUSA-N 2 2 323.397 -1.170 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630637 782408802 /nfs/dbraw/zinc/40/88/02/782408802.db2.gz WCJXJVDFVLXMTI-WXHSDQCUSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047630496 782408828 /nfs/dbraw/zinc/40/88/28/782408828.db2.gz UIGVAYDXOUJELM-AVGNSLFASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047630496 782408832 /nfs/dbraw/zinc/40/88/32/782408832.db2.gz UIGVAYDXOUJELM-AVGNSLFASA-N 2 2 321.381 -1.416 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047626387 782407581 /nfs/dbraw/zinc/40/75/81/782407581.db2.gz BMPYJEYHKAQIQU-IHRRRGAJSA-N 2 2 324.425 -1.136 20 0 DAADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047626387 782407586 /nfs/dbraw/zinc/40/75/86/782407586.db2.gz BMPYJEYHKAQIQU-IHRRRGAJSA-N 2 2 324.425 -1.136 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001047630380 782408066 /nfs/dbraw/zinc/40/80/66/782408066.db2.gz PVKPZLICIUFXOR-STQMWFEESA-N 2 2 323.397 -1.217 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001047630380 782408072 /nfs/dbraw/zinc/40/80/72/782408072.db2.gz PVKPZLICIUFXOR-STQMWFEESA-N 2 2 323.397 -1.217 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047630495 782408476 /nfs/dbraw/zinc/40/84/76/782408476.db2.gz UIGVAYDXOUJELM-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047630495 782408482 /nfs/dbraw/zinc/40/84/82/782408482.db2.gz UIGVAYDXOUJELM-AGIUHOORSA-N 2 2 321.381 -1.416 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871720 782503129 /nfs/dbraw/zinc/50/31/29/782503129.db2.gz JLZFUYUPBKEXPZ-NEPJUHHUSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871720 782503132 /nfs/dbraw/zinc/50/31/32/782503132.db2.gz JLZFUYUPBKEXPZ-NEPJUHHUSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871721 782503907 /nfs/dbraw/zinc/50/39/07/782503907.db2.gz JLZFUYUPBKEXPZ-NWDGAFQWSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871721 782503912 /nfs/dbraw/zinc/50/39/12/782503912.db2.gz JLZFUYUPBKEXPZ-NWDGAFQWSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880136 782504245 /nfs/dbraw/zinc/50/42/45/782504245.db2.gz VXFLSSBNDQFWBL-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880136 782504254 /nfs/dbraw/zinc/50/42/54/782504254.db2.gz VXFLSSBNDQFWBL-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880136 782504257 /nfs/dbraw/zinc/50/42/57/782504257.db2.gz VXFLSSBNDQFWBL-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880136 782504261 /nfs/dbraw/zinc/50/42/61/782504261.db2.gz VXFLSSBNDQFWBL-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099985516 782523847 /nfs/dbraw/zinc/52/38/47/782523847.db2.gz DGNKRWFFLCXOBM-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099985516 782523861 /nfs/dbraw/zinc/52/38/61/782523861.db2.gz DGNKRWFFLCXOBM-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001100041506 782535847 /nfs/dbraw/zinc/53/58/47/782535847.db2.gz KHOGRVARBUWDND-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001100041506 782535858 /nfs/dbraw/zinc/53/58/58/782535858.db2.gz KHOGRVARBUWDND-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C[C@@H]1O ZINC001100064401 782543887 /nfs/dbraw/zinc/54/38/87/782543887.db2.gz MBTIAKBYKKAXJB-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C[C@@H]1O ZINC001100064401 782543891 /nfs/dbraw/zinc/54/38/91/782543891.db2.gz MBTIAKBYKKAXJB-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1O ZINC001100064401 782543892 /nfs/dbraw/zinc/54/38/92/782543892.db2.gz MBTIAKBYKKAXJB-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1O ZINC001100064401 782543897 /nfs/dbraw/zinc/54/38/97/782543897.db2.gz MBTIAKBYKKAXJB-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100083109 782548073 /nfs/dbraw/zinc/54/80/73/782548073.db2.gz NGHVIWQBRYUYNC-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)C[C@H]1O ZINC001100083109 782548079 /nfs/dbraw/zinc/54/80/79/782548079.db2.gz NGHVIWQBRYUYNC-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1O ZINC001100083109 782548082 /nfs/dbraw/zinc/54/80/82/782548082.db2.gz NGHVIWQBRYUYNC-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1O ZINC001100083109 782548091 /nfs/dbraw/zinc/54/80/91/782548091.db2.gz NGHVIWQBRYUYNC-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110583 782555311 /nfs/dbraw/zinc/55/53/11/782555311.db2.gz YCBPQHXKGNAPOV-STQMWFEESA-N 2 2 323.397 -1.121 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110583 782555319 /nfs/dbraw/zinc/55/53/19/782555319.db2.gz YCBPQHXKGNAPOV-STQMWFEESA-N 2 2 323.397 -1.121 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131983 782559642 /nfs/dbraw/zinc/55/96/42/782559642.db2.gz LQXGCSKHWCXDCW-NEPJUHHUSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131983 782559648 /nfs/dbraw/zinc/55/96/48/782559648.db2.gz LQXGCSKHWCXDCW-NEPJUHHUSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131983 782559653 /nfs/dbraw/zinc/55/96/53/782559653.db2.gz LQXGCSKHWCXDCW-NEPJUHHUSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131983 782559659 /nfs/dbraw/zinc/55/96/59/782559659.db2.gz LQXGCSKHWCXDCW-NEPJUHHUSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131985 782559847 /nfs/dbraw/zinc/55/98/47/782559847.db2.gz LQXGCSKHWCXDCW-RYUDHWBXSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131985 782559853 /nfs/dbraw/zinc/55/98/53/782559853.db2.gz LQXGCSKHWCXDCW-RYUDHWBXSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131985 782559858 /nfs/dbraw/zinc/55/98/58/782559858.db2.gz LQXGCSKHWCXDCW-RYUDHWBXSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131985 782559863 /nfs/dbraw/zinc/55/98/63/782559863.db2.gz LQXGCSKHWCXDCW-RYUDHWBXSA-N 2 2 300.403 -1.376 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001115269726 782649918 /nfs/dbraw/zinc/64/99/18/782649918.db2.gz MCWFHNVJQSAMCI-COMQUAJESA-N 2 2 324.425 -1.110 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001115269726 782649921 /nfs/dbraw/zinc/64/99/21/782649921.db2.gz MCWFHNVJQSAMCI-COMQUAJESA-N 2 2 324.425 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001115269726 782649922 /nfs/dbraw/zinc/64/99/22/782649922.db2.gz MCWFHNVJQSAMCI-COMQUAJESA-N 2 2 324.425 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001115269726 782649925 /nfs/dbraw/zinc/64/99/25/782649925.db2.gz MCWFHNVJQSAMCI-COMQUAJESA-N 2 2 324.425 -1.110 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001266310007 775127909 /nfs/dbraw/zinc/12/79/09/775127909.db2.gz BSOOPXFFUGCYTF-QWHCGFSZSA-N 2 2 301.387 -1.484 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOCCO)C2)C1 ZINC001266310007 775127914 /nfs/dbraw/zinc/12/79/14/775127914.db2.gz BSOOPXFFUGCYTF-QWHCGFSZSA-N 2 2 301.387 -1.484 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001266310007 775127920 /nfs/dbraw/zinc/12/79/20/775127920.db2.gz BSOOPXFFUGCYTF-QWHCGFSZSA-N 2 2 301.387 -1.484 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266310007 775127925 /nfs/dbraw/zinc/12/79/25/775127925.db2.gz BSOOPXFFUGCYTF-QWHCGFSZSA-N 2 2 301.387 -1.484 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001149131105 775146774 /nfs/dbraw/zinc/14/67/74/775146774.db2.gz VHZVBWMCQZTKPK-UHFFFAOYSA-N 2 2 308.342 -1.482 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001167355666 775156477 /nfs/dbraw/zinc/15/64/77/775156477.db2.gz VECYEFCWRBMRFG-UHFFFAOYSA-N 2 2 309.370 -1.093 20 0 DAADLP CN(CC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001167355705 775156704 /nfs/dbraw/zinc/15/67/04/775156704.db2.gz WNYODDPFWJRLSZ-UHFFFAOYSA-N 2 2 317.415 -1.061 20 0 DAADLP CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846885 775181024 /nfs/dbraw/zinc/18/10/24/775181024.db2.gz KTUFGOWPCWKBBG-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846808 775181352 /nfs/dbraw/zinc/18/13/52/775181352.db2.gz INHMKSTTWZSMHE-UHFFFAOYSA-N 2 2 303.388 -1.451 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378319 775214805 /nfs/dbraw/zinc/21/48/05/775214805.db2.gz LVBNJBVTSKMRAX-IJLUTSLNSA-N 2 2 300.403 -1.112 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378319 775214810 /nfs/dbraw/zinc/21/48/10/775214810.db2.gz LVBNJBVTSKMRAX-IJLUTSLNSA-N 2 2 300.403 -1.112 20 0 DAADLP COCCOC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267669341 775265364 /nfs/dbraw/zinc/26/53/64/775265364.db2.gz HHJUSYXOUYSTLZ-JSGCOSHPSA-N 2 2 315.414 -1.238 20 0 DAADLP COCCOC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267669341 775265372 /nfs/dbraw/zinc/26/53/72/775265372.db2.gz HHJUSYXOUYSTLZ-JSGCOSHPSA-N 2 2 315.414 -1.238 20 0 DAADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN1C(=O)CNC1=O ZINC001267830510 775283985 /nfs/dbraw/zinc/28/39/85/775283985.db2.gz DPMNPTZDBPTULU-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105318850 775306291 /nfs/dbraw/zinc/30/62/91/775306291.db2.gz RJAXTSXNAMKKKK-UHFFFAOYSA-N 2 2 323.401 -1.551 20 0 DAADLP CC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105358205 775347607 /nfs/dbraw/zinc/34/76/07/775347607.db2.gz TVHFDYGJCBWTNK-UHFFFAOYSA-N 2 2 323.401 -1.422 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105358205 775347615 /nfs/dbraw/zinc/34/76/15/775347615.db2.gz TVHFDYGJCBWTNK-UHFFFAOYSA-N 2 2 323.401 -1.422 20 0 DAADLP O=C(NC[C@H](O)C[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268307671 775363958 /nfs/dbraw/zinc/36/39/58/775363958.db2.gz HQQQPFNVDBIPQV-IJLUTSLNSA-N 2 2 319.369 -1.128 20 0 DAADLP O=C(NC[C@H](O)C[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268307671 775363965 /nfs/dbraw/zinc/36/39/65/775363965.db2.gz HQQQPFNVDBIPQV-IJLUTSLNSA-N 2 2 319.369 -1.128 20 0 DAADLP C[NH+](C)CCC(=O)NC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001268444808 775384661 /nfs/dbraw/zinc/38/46/61/775384661.db2.gz DGPVNADQVNRQDC-UHFFFAOYSA-N 2 2 311.386 -1.320 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CCN1C(=O)CNC1=O ZINC001268596256 775406043 /nfs/dbraw/zinc/40/60/43/775406043.db2.gz IIKNZSXDEWMEFP-UPHRSURJSA-N 2 2 320.353 -1.234 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268635209 775410006 /nfs/dbraw/zinc/41/00/06/775410006.db2.gz YKGAVUYGTBZYHE-FMBMQGQPSA-N 2 2 305.338 -1.050 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268635208 775410747 /nfs/dbraw/zinc/41/07/47/775410747.db2.gz YKGAVUYGTBZYHE-BVBSBALXSA-N 2 2 305.338 -1.050 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CCNS(C)(=O)=O ZINC001268670394 775413790 /nfs/dbraw/zinc/41/37/90/775413790.db2.gz ANKWLECCUXCPLS-SECBINFHSA-N 2 2 317.415 -1.096 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+]Cc1cnnn1C ZINC001279893440 775428197 /nfs/dbraw/zinc/42/81/97/775428197.db2.gz TUYLVBSJKNMUTI-UHFFFAOYSA-N 2 2 321.385 -1.000 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126436744 775482551 /nfs/dbraw/zinc/48/25/51/775482551.db2.gz KJFFKEKTIOEABQ-UHFFFAOYSA-N 2 2 322.369 -1.994 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448774 775482990 /nfs/dbraw/zinc/48/29/90/775482990.db2.gz YGCNABKDOIBQLO-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270551702 775496213 /nfs/dbraw/zinc/49/62/13/775496213.db2.gz URZWIXYHKWVWEW-JTQLQIEISA-N 2 2 322.369 -1.154 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920056 775547344 /nfs/dbraw/zinc/54/73/44/775547344.db2.gz CRDXMCNOHNGBPS-FRRDWIJNSA-N 2 2 310.398 -1.417 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920056 775547359 /nfs/dbraw/zinc/54/73/59/775547359.db2.gz CRDXMCNOHNGBPS-FRRDWIJNSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920056 775547369 /nfs/dbraw/zinc/54/73/69/775547369.db2.gz CRDXMCNOHNGBPS-FRRDWIJNSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920056 775547380 /nfs/dbraw/zinc/54/73/80/775547380.db2.gz CRDXMCNOHNGBPS-FRRDWIJNSA-N 2 2 310.398 -1.417 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001272273561 775568177 /nfs/dbraw/zinc/56/81/77/775568177.db2.gz QNKSHLSAHOZLPH-RFGFWPKPSA-N 2 2 324.425 -1.328 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001272273561 775568185 /nfs/dbraw/zinc/56/81/85/775568185.db2.gz QNKSHLSAHOZLPH-RFGFWPKPSA-N 2 2 324.425 -1.328 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272273561 775568192 /nfs/dbraw/zinc/56/81/92/775568192.db2.gz QNKSHLSAHOZLPH-RFGFWPKPSA-N 2 2 324.425 -1.328 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273561 775568200 /nfs/dbraw/zinc/56/82/00/775568200.db2.gz QNKSHLSAHOZLPH-RFGFWPKPSA-N 2 2 324.425 -1.328 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CCCOC)C2)C1 ZINC001271393095 775573822 /nfs/dbraw/zinc/57/38/22/775573822.db2.gz JZPSTYNTMCJEDS-CYBMUJFWSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CCCOC)C2)C1 ZINC001271393095 775573829 /nfs/dbraw/zinc/57/38/29/775573829.db2.gz JZPSTYNTMCJEDS-CYBMUJFWSA-N 2 2 315.414 -1.094 20 0 DAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212026163 775630796 /nfs/dbraw/zinc/63/07/96/775630796.db2.gz DDDXZOUBYFOMRK-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212026163 775630802 /nfs/dbraw/zinc/63/08/02/775630802.db2.gz DDDXZOUBYFOMRK-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001212026163 775630807 /nfs/dbraw/zinc/63/08/07/775630807.db2.gz DDDXZOUBYFOMRK-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001212026163 775630812 /nfs/dbraw/zinc/63/08/12/775630812.db2.gz DDDXZOUBYFOMRK-MGPQQGTHSA-N 2 2 315.414 -1.095 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+]Cc1cnnn1C ZINC001272295196 775745714 /nfs/dbraw/zinc/74/57/14/775745714.db2.gz LXBUOHMLCNLHLG-UHFFFAOYSA-N 2 2 321.385 -1.298 20 0 DAADLP Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001272530760 775770738 /nfs/dbraw/zinc/77/07/38/775770738.db2.gz XNDUYSKZTRKJDP-ZDUSSCGKSA-N 2 2 321.385 -1.073 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001272559013 775776088 /nfs/dbraw/zinc/77/60/88/775776088.db2.gz FDKLBCHRICMPMH-ZDUSSCGKSA-N 2 2 306.370 -1.074 20 0 DAADLP Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001272592582 775787253 /nfs/dbraw/zinc/78/72/53/775787253.db2.gz OOWFGWZHDWITAQ-CYBMUJFWSA-N 2 2 306.370 -1.074 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1=O ZINC001127780080 775864524 /nfs/dbraw/zinc/86/45/24/775864524.db2.gz VROLGGVSWSIDJB-QWRGUYRKSA-N 2 2 324.385 -1.823 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc1=O ZINC001127780080 775864536 /nfs/dbraw/zinc/86/45/36/775864536.db2.gz VROLGGVSWSIDJB-QWRGUYRKSA-N 2 2 324.385 -1.823 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)O1 ZINC001108023438 775922938 /nfs/dbraw/zinc/92/29/38/775922938.db2.gz BRPDTTAZTTWXQR-NFAWXSAZSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)O1 ZINC001108023438 775922947 /nfs/dbraw/zinc/92/29/47/775922947.db2.gz BRPDTTAZTTWXQR-NFAWXSAZSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)O1 ZINC001108023438 775922959 /nfs/dbraw/zinc/92/29/59/775922959.db2.gz BRPDTTAZTTWXQR-NFAWXSAZSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)O1 ZINC001108023438 775922971 /nfs/dbraw/zinc/92/29/71/775922971.db2.gz BRPDTTAZTTWXQR-NFAWXSAZSA-N 2 2 315.414 -1.095 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273069253 775976559 /nfs/dbraw/zinc/97/65/59/775976559.db2.gz GUPHHQCCVSFFQU-ZDUSSCGKSA-N 2 2 324.425 -1.325 20 0 DAADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273069253 775976571 /nfs/dbraw/zinc/97/65/71/775976571.db2.gz GUPHHQCCVSFFQU-ZDUSSCGKSA-N 2 2 324.425 -1.325 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001273069253 775976577 /nfs/dbraw/zinc/97/65/77/775976577.db2.gz GUPHHQCCVSFFQU-ZDUSSCGKSA-N 2 2 324.425 -1.325 20 0 DAADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001273069253 775976588 /nfs/dbraw/zinc/97/65/88/775976588.db2.gz GUPHHQCCVSFFQU-ZDUSSCGKSA-N 2 2 324.425 -1.325 20 0 DAADLP C[N@@H+]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069052 775976880 /nfs/dbraw/zinc/97/68/80/775976880.db2.gz FZOBJPZSSKPBGW-CJNGLKHVSA-N 2 2 324.425 -1.134 20 0 DAADLP C[N@H+]1CCN(C(=O)C[NH+]2CC[C@@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069052 775976887 /nfs/dbraw/zinc/97/68/87/775976887.db2.gz FZOBJPZSSKPBGW-CJNGLKHVSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069052 775976898 /nfs/dbraw/zinc/97/68/98/775976898.db2.gz FZOBJPZSSKPBGW-CJNGLKHVSA-N 2 2 324.425 -1.134 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069052 775976903 /nfs/dbraw/zinc/97/69/03/775976903.db2.gz FZOBJPZSSKPBGW-CJNGLKHVSA-N 2 2 324.425 -1.134 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273070629 775977332 /nfs/dbraw/zinc/97/73/32/775977332.db2.gz ZDKFEMLVXCAOIS-MELADBBJSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273070629 775977337 /nfs/dbraw/zinc/97/73/37/775977337.db2.gz ZDKFEMLVXCAOIS-MELADBBJSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273070629 775977344 /nfs/dbraw/zinc/97/73/44/775977344.db2.gz ZDKFEMLVXCAOIS-MELADBBJSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273070629 775977352 /nfs/dbraw/zinc/97/73/52/775977352.db2.gz ZDKFEMLVXCAOIS-MELADBBJSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273070628 775977827 /nfs/dbraw/zinc/97/78/27/775977827.db2.gz ZDKFEMLVXCAOIS-BFHYXJOUSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273070628 775977836 /nfs/dbraw/zinc/97/78/36/775977836.db2.gz ZDKFEMLVXCAOIS-BFHYXJOUSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273070628 775977845 /nfs/dbraw/zinc/97/78/45/775977845.db2.gz ZDKFEMLVXCAOIS-BFHYXJOUSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273070628 775977852 /nfs/dbraw/zinc/97/78/52/775977852.db2.gz ZDKFEMLVXCAOIS-BFHYXJOUSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273069991 775978381 /nfs/dbraw/zinc/97/83/81/775978381.db2.gz OXZRWRKXDZIIHN-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001273069991 775978387 /nfs/dbraw/zinc/97/83/87/775978387.db2.gz OXZRWRKXDZIIHN-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273069991 775978394 /nfs/dbraw/zinc/97/83/94/775978394.db2.gz OXZRWRKXDZIIHN-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069991 775978400 /nfs/dbraw/zinc/97/84/00/775978400.db2.gz OXZRWRKXDZIIHN-RDBSUJKOSA-N 2 2 324.425 -1.326 20 0 DAADLP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001128532996 775983096 /nfs/dbraw/zinc/98/30/96/775983096.db2.gz DAWNELRWNUDMTF-SNVBAGLBSA-N 2 2 316.381 -1.006 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128967279 776038980 /nfs/dbraw/zinc/03/89/80/776038980.db2.gz JFINIUYBSOYLBB-UHFFFAOYSA-N 2 2 308.342 -1.400 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128967279 776038998 /nfs/dbraw/zinc/03/89/98/776038998.db2.gz JFINIUYBSOYLBB-UHFFFAOYSA-N 2 2 308.342 -1.400 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972976 776039619 /nfs/dbraw/zinc/03/96/19/776039619.db2.gz PVFPBNFMEAETLA-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972976 776039628 /nfs/dbraw/zinc/03/96/28/776039628.db2.gz PVFPBNFMEAETLA-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986089 776043607 /nfs/dbraw/zinc/04/36/07/776043607.db2.gz FNPCQMCZOUFISO-UHFFFAOYSA-N 2 2 310.358 -1.106 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)no1 ZINC001090380429 776130325 /nfs/dbraw/zinc/13/03/25/776130325.db2.gz DIPAYHCIXCRTIQ-YPMHNXCESA-N 2 2 312.370 -1.107 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)no1 ZINC001090380429 776130328 /nfs/dbraw/zinc/13/03/28/776130328.db2.gz DIPAYHCIXCRTIQ-YPMHNXCESA-N 2 2 312.370 -1.107 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090394067 776135323 /nfs/dbraw/zinc/13/53/23/776135323.db2.gz SMJLWSVNDPNLKV-NWDGAFQWSA-N 2 2 310.398 -1.349 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090394067 776135331 /nfs/dbraw/zinc/13/53/31/776135331.db2.gz SMJLWSVNDPNLKV-NWDGAFQWSA-N 2 2 310.398 -1.349 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090397516 776139809 /nfs/dbraw/zinc/13/98/09/776139809.db2.gz BCPXFBDWPXHLBR-QWHCGFSZSA-N 2 2 317.349 -1.015 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090397516 776139811 /nfs/dbraw/zinc/13/98/11/776139811.db2.gz BCPXFBDWPXHLBR-QWHCGFSZSA-N 2 2 317.349 -1.015 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083953098 776142043 /nfs/dbraw/zinc/14/20/43/776142043.db2.gz HBFXJJKKRBTWLC-BNOWGMLFSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083953098 776142048 /nfs/dbraw/zinc/14/20/48/776142048.db2.gz HBFXJJKKRBTWLC-BNOWGMLFSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083953098 776142050 /nfs/dbraw/zinc/14/20/50/776142050.db2.gz HBFXJJKKRBTWLC-BNOWGMLFSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083953098 776142054 /nfs/dbraw/zinc/14/20/54/776142054.db2.gz HBFXJJKKRBTWLC-BNOWGMLFSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953417 776142112 /nfs/dbraw/zinc/14/21/12/776142112.db2.gz RXVGYQBPNIPEMX-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953417 776142116 /nfs/dbraw/zinc/14/21/16/776142116.db2.gz RXVGYQBPNIPEMX-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953417 776142122 /nfs/dbraw/zinc/14/21/22/776142122.db2.gz RXVGYQBPNIPEMX-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953417 776142128 /nfs/dbraw/zinc/14/21/28/776142128.db2.gz RXVGYQBPNIPEMX-MCIONIFRSA-N 2 2 324.425 -1.278 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958334 776143940 /nfs/dbraw/zinc/14/39/40/776143940.db2.gz AUPJJGVESVVUJD-UTUOFQBUSA-N 2 2 308.382 -1.868 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958334 776143948 /nfs/dbraw/zinc/14/39/48/776143948.db2.gz AUPJJGVESVVUJD-UTUOFQBUSA-N 2 2 308.382 -1.868 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001084078741 776156380 /nfs/dbraw/zinc/15/63/80/776156380.db2.gz GZVZRWKJAVSTNT-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001084078741 776156381 /nfs/dbraw/zinc/15/63/81/776156381.db2.gz GZVZRWKJAVSTNT-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001084078741 776156383 /nfs/dbraw/zinc/15/63/83/776156383.db2.gz GZVZRWKJAVSTNT-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001084078741 776156385 /nfs/dbraw/zinc/15/63/85/776156385.db2.gz GZVZRWKJAVSTNT-AGIUHOORSA-N 2 2 301.387 -1.749 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001084078742 776156886 /nfs/dbraw/zinc/15/68/86/776156886.db2.gz GZVZRWKJAVSTNT-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001084078742 776156896 /nfs/dbraw/zinc/15/68/96/776156896.db2.gz GZVZRWKJAVSTNT-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001084078742 776156903 /nfs/dbraw/zinc/15/69/03/776156903.db2.gz GZVZRWKJAVSTNT-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001084078742 776156908 /nfs/dbraw/zinc/15/69/08/776156908.db2.gz GZVZRWKJAVSTNT-FRRDWIJNSA-N 2 2 301.387 -1.749 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053031 776158288 /nfs/dbraw/zinc/15/82/88/776158288.db2.gz QIFORIGQPMDVIE-XQQFMLRXSA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053031 776158298 /nfs/dbraw/zinc/15/82/98/776158298.db2.gz QIFORIGQPMDVIE-XQQFMLRXSA-N 2 2 310.398 -1.668 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001084053031 776158310 /nfs/dbraw/zinc/15/83/10/776158310.db2.gz 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C/C(=C\C(=O)NC[C@@]1(CO)COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000828697042 776214424 /nfs/dbraw/zinc/21/44/24/776214424.db2.gz DBXQUZTZICGFOM-XETPBLJFSA-N 2 2 313.398 -1.268 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099985463 776215165 /nfs/dbraw/zinc/21/51/65/776215165.db2.gz COCZXGCJFISSPJ-NXEZZACHSA-N 2 2 315.374 -2.316 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O ZINC001099985463 776215170 /nfs/dbraw/zinc/21/51/70/776215170.db2.gz COCZXGCJFISSPJ-NXEZZACHSA-N 2 2 315.374 -2.316 20 0 DAADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986317 776217169 /nfs/dbraw/zinc/21/71/69/776217169.db2.gz IWOYSBLYJTWVMR-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986317 776217174 /nfs/dbraw/zinc/21/71/74/776217174.db2.gz IWOYSBLYJTWVMR-NWDGAFQWSA-N 2 2 300.403 -1.374 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100018191 776234587 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DAADLP C[C@]1(CNC(=O)CC[NH+]2CCOCC2)C[N@H+](CCO)CCO1 ZINC001108279683 776267409 /nfs/dbraw/zinc/26/74/09/776267409.db2.gz ICPPAQOOABHTSO-HNNXBMFYSA-N 2 2 315.414 -1.092 20 0 DAADLP C[C@]1(CNC(=O)CC[NH+]2CCOCC2)C[N@@H+](CCO)CCO1 ZINC001108279683 776267416 /nfs/dbraw/zinc/26/74/16/776267416.db2.gz ICPPAQOOABHTSO-HNNXBMFYSA-N 2 2 315.414 -1.092 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410698 776282144 /nfs/dbraw/zinc/28/21/44/776282144.db2.gz TXIMNKWKBSRHAL-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108410698 776282145 /nfs/dbraw/zinc/28/21/45/776282145.db2.gz TXIMNKWKBSRHAL-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108410698 776282148 /nfs/dbraw/zinc/28/21/48/776282148.db2.gz TXIMNKWKBSRHAL-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108410698 776282150 /nfs/dbraw/zinc/28/21/50/776282150.db2.gz TXIMNKWKBSRHAL-UKRRQHHQSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC1 ZINC001108566997 776307851 /nfs/dbraw/zinc/30/78/51/776307851.db2.gz SLUYVCCGUSZVFL-GFCCVEGCSA-N 2 2 324.425 -1.278 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108584693 776308329 /nfs/dbraw/zinc/30/83/29/776308329.db2.gz LLJQXCCQICJRIQ-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108584693 776308341 /nfs/dbraw/zinc/30/83/41/776308341.db2.gz LLJQXCCQICJRIQ-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127557 776321279 /nfs/dbraw/zinc/32/12/79/776321279.db2.gz WUWRPZWCNCKYDP-STQMWFEESA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127557 776321288 /nfs/dbraw/zinc/32/12/88/776321288.db2.gz WUWRPZWCNCKYDP-STQMWFEESA-N 2 2 312.414 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CCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114091095 776447190 /nfs/dbraw/zinc/44/71/90/776447190.db2.gz QJIWABLXGSUQKG-COMQUAJESA-N 2 2 324.425 -1.110 20 0 DAADLP CCCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114091095 776447193 /nfs/dbraw/zinc/44/71/93/776447193.db2.gz QJIWABLXGSUQKG-COMQUAJESA-N 2 2 324.425 -1.110 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001114091516 776447218 /nfs/dbraw/zinc/44/72/18/776447218.db2.gz YJVPPDIUVITZJM-RFQIPJPRSA-N 2 2 313.398 -1.628 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001114091516 776447221 /nfs/dbraw/zinc/44/72/21/776447221.db2.gz YJVPPDIUVITZJM-RFQIPJPRSA-N 2 2 313.398 -1.628 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001114091516 776447228 /nfs/dbraw/zinc/44/72/28/776447228.db2.gz YJVPPDIUVITZJM-RFQIPJPRSA-N 2 2 313.398 -1.628 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001114091516 776447230 /nfs/dbraw/zinc/44/72/30/776447230.db2.gz YJVPPDIUVITZJM-RFQIPJPRSA-N 2 2 313.398 -1.628 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130150866 776496169 /nfs/dbraw/zinc/49/61/69/776496169.db2.gz DHPNFGXFXQFBFO-OLZOCXBDSA-N 2 2 319.369 -1.101 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403681 776508288 /nfs/dbraw/zinc/50/82/88/776508288.db2.gz AFGKMIMJOIXGAE-PWSUYJOCSA-N 2 2 319.365 -1.044 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)NC(N)=O ZINC001130406953 776508590 /nfs/dbraw/zinc/50/85/90/776508590.db2.gz IGTRMWDHAVKGGZ-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477165 776511196 /nfs/dbraw/zinc/51/11/96/776511196.db2.gz BXMFBCSOASZUEY-MNOVXSKESA-N 2 2 319.365 -1.044 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477898 776513616 /nfs/dbraw/zinc/51/36/16/776513616.db2.gz NNGAFCBYCGFKTI-SNVBAGLBSA-N 2 2 322.369 -1.393 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158005635 776519637 /nfs/dbraw/zinc/51/96/37/776519637.db2.gz AIGLHHMDITYOIC-VHSXEESVSA-N 3 2 304.416 -1.631 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ncn2c1C[NH2+]CC2 ZINC001158007482 776521442 /nfs/dbraw/zinc/52/14/42/776521442.db2.gz SVIGRDRPOVCXKT-NSHDSACASA-N 2 2 307.354 -1.037 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)no1 ZINC001130647996 776523953 /nfs/dbraw/zinc/52/39/53/776523953.db2.gz GWYAQXAWXRGRNI-UHFFFAOYSA-N 2 2 312.330 -1.750 20 0 DAADLP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131381400 776567673 /nfs/dbraw/zinc/56/76/73/776567673.db2.gz MNYVLPOYGYFCEW-UHFFFAOYSA-N 2 2 300.403 -1.419 20 0 DAADLP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131381400 776567676 /nfs/dbraw/zinc/56/76/76/776567676.db2.gz MNYVLPOYGYFCEW-UHFFFAOYSA-N 2 2 300.403 -1.419 20 0 DAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001131822889 776592296 /nfs/dbraw/zinc/59/22/96/776592296.db2.gz XBZUWOHFBOBVDE-LBPRGKRZSA-N 2 2 300.403 -1.061 20 0 DAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001131822889 776592299 /nfs/dbraw/zinc/59/22/99/776592299.db2.gz XBZUWOHFBOBVDE-LBPRGKRZSA-N 2 2 300.403 -1.061 20 0 DAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131821488 776593498 /nfs/dbraw/zinc/59/34/98/776593498.db2.gz AIVSPSLRWRTZMH-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131821488 776593510 /nfs/dbraw/zinc/59/35/10/776593510.db2.gz AIVSPSLRWRTZMH-ZDUSSCGKSA-N 2 2 312.414 -1.061 20 0 DAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001132080051 776604648 /nfs/dbraw/zinc/60/46/48/776604648.db2.gz ZJNYGBCCMLLCOJ-UHFFFAOYSA-N 2 2 322.369 -1.033 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132081999 776605231 /nfs/dbraw/zinc/60/52/31/776605231.db2.gz HZEVVBGHHOXFET-JTQLQIEISA-N 2 2 310.358 -1.177 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001132858716 776642077 /nfs/dbraw/zinc/64/20/77/776642077.db2.gz GGHPCEPKUPBXNG-NSHDSACASA-N 2 2 311.390 -1.475 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001132858716 776642091 /nfs/dbraw/zinc/64/20/91/776642091.db2.gz GGHPCEPKUPBXNG-NSHDSACASA-N 2 2 311.390 -1.475 20 0 DAADLP CCNC(=O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255706 776662926 /nfs/dbraw/zinc/66/29/26/776662926.db2.gz UOKRBUWSUUJNDY-LBPRGKRZSA-N 2 2 324.385 -1.701 20 0 DAADLP CC[C@H]([NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(N)=O ZINC001133254672 776663761 /nfs/dbraw/zinc/66/37/61/776663761.db2.gz FBMHVAPNZLOCND-RYUDHWBXSA-N 2 2 324.385 -1.573 20 0 DAADLP CC[C@H]([NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(N)=O ZINC001133254672 776663764 /nfs/dbraw/zinc/66/37/64/776663764.db2.gz FBMHVAPNZLOCND-RYUDHWBXSA-N 2 2 324.385 -1.573 20 0 DAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133291058 776663874 /nfs/dbraw/zinc/66/38/74/776663874.db2.gz JBMWWVUYMCCGKZ-UHFFFAOYSA-N 2 2 312.374 -1.484 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664526 776672367 /nfs/dbraw/zinc/67/23/67/776672367.db2.gz SREXCVNIKLGKQG-SECBINFHSA-N 2 2 322.369 -1.009 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663709 776673808 /nfs/dbraw/zinc/67/38/08/776673808.db2.gz GHNKXZUILKQCPE-QMMMGPOBSA-N 2 2 308.342 -1.270 20 0 DAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001134042621 776688993 /nfs/dbraw/zinc/68/89/93/776688993.db2.gz JHKRWBVXDSRYAP-RKDXNWHRSA-N 2 2 308.342 -1.576 20 0 DAADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406900 776702902 /nfs/dbraw/zinc/70/29/02/776702902.db2.gz HHMPGDBDVKGUPY-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001134400994 776703428 /nfs/dbraw/zinc/70/34/28/776703428.db2.gz SLSYADVHNYFYQT-JTQLQIEISA-N 2 2 324.385 -1.749 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)NC1CC1 ZINC001134407135 776703445 /nfs/dbraw/zinc/70/34/45/776703445.db2.gz SJCYEUXOEVLWPY-UHFFFAOYSA-N 2 2 308.342 -1.354 20 0 DAADLP CN1CCN(c2cc(N[C@H]3C[NH2+]C[C@H]3CO)nc[nH+]2)CC1=O ZINC001170781326 776730537 /nfs/dbraw/zinc/73/05/37/776730537.db2.gz WVFBFZBKCDBTCM-QWRGUYRKSA-N 2 2 306.370 -1.253 20 0 DAADLP CN1CCN(c2cc(N[C@@H]3C[NH2+]C[C@@H]3CO)nc[nH+]2)CC1=O ZINC001170781324 776730695 /nfs/dbraw/zinc/73/06/95/776730695.db2.gz WVFBFZBKCDBTCM-GHMZBOCLSA-N 2 2 306.370 -1.253 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135079912 776735004 /nfs/dbraw/zinc/73/50/04/776735004.db2.gz GREVDCNHRKFGRW-SNVBAGLBSA-N 2 2 317.415 -1.157 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135079912 776735016 /nfs/dbraw/zinc/73/50/16/776735016.db2.gz GREVDCNHRKFGRW-SNVBAGLBSA-N 2 2 317.415 -1.157 20 0 DAADLP NC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488131 776740582 /nfs/dbraw/zinc/74/05/82/776740582.db2.gz HGTAECKPSAZODB-UHFFFAOYSA-N 2 2 309.370 -1.277 20 0 DAADLP NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488131 776740590 /nfs/dbraw/zinc/74/05/90/776740590.db2.gz HGTAECKPSAZODB-UHFFFAOYSA-N 2 2 309.370 -1.277 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001135349869 776751518 /nfs/dbraw/zinc/75/15/18/776751518.db2.gz GWYWRXFLCDPECD-UHFFFAOYSA-N 2 2 323.401 -1.064 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)nc1=O ZINC001135350397 776753266 /nfs/dbraw/zinc/75/32/66/776753266.db2.gz VRCUDYWVJVYFNI-UHFFFAOYSA-N 2 2 312.374 -1.964 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)NC1CC1 ZINC001135755947 776769311 /nfs/dbraw/zinc/76/93/11/776769311.db2.gz USALWYHXXIVUTK-UHFFFAOYSA-N 2 2 308.342 -1.354 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001135758056 776770424 /nfs/dbraw/zinc/77/04/24/776770424.db2.gz WVZBIZTYLFSGBE-SNVBAGLBSA-N 2 2 323.353 -1.832 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC[C@@H]1CCOC1 ZINC001135760929 776770771 /nfs/dbraw/zinc/77/07/71/776770771.db2.gz VYONSEMEOISIKH-NSHDSACASA-N 2 2 309.370 -1.189 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC[C@H]1CCOC1 ZINC001135760928 776770822 /nfs/dbraw/zinc/77/08/22/776770822.db2.gz VYONSEMEOISIKH-LLVKDONJSA-N 2 2 309.370 -1.189 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540629 776789765 /nfs/dbraw/zinc/78/97/65/776789765.db2.gz QIUBBJILOWRQKX-CHWSQXEVSA-N 2 2 312.414 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540629 776789768 /nfs/dbraw/zinc/78/97/68/776789768.db2.gz QIUBBJILOWRQKX-CHWSQXEVSA-N 2 2 312.414 -1.374 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090672958 776819861 /nfs/dbraw/zinc/81/98/61/776819861.db2.gz HPBIPPVBBHNXHH-CHWSQXEVSA-N 2 2 312.414 -1.245 20 0 DAADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090672958 776819868 /nfs/dbraw/zinc/81/98/68/776819868.db2.gz HPBIPPVBBHNXHH-CHWSQXEVSA-N 2 2 312.414 -1.245 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090734820 776836415 /nfs/dbraw/zinc/83/64/15/776836415.db2.gz QKSMNLSBKZTBFO-WCQYABFASA-N 2 2 321.381 -1.202 20 0 DAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090734820 776836424 /nfs/dbraw/zinc/83/64/24/776836424.db2.gz QKSMNLSBKZTBFO-WCQYABFASA-N 2 2 321.381 -1.202 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090811511 776854039 /nfs/dbraw/zinc/85/40/39/776854039.db2.gz CABIXPKDQMVWQY-UONOGXRCSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090811511 776854050 /nfs/dbraw/zinc/85/40/50/776854050.db2.gz CABIXPKDQMVWQY-UONOGXRCSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090811509 776854407 /nfs/dbraw/zinc/85/44/07/776854407.db2.gz CABIXPKDQMVWQY-KBPBESRZSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090811509 776854416 /nfs/dbraw/zinc/85/44/16/776854416.db2.gz CABIXPKDQMVWQY-KBPBESRZSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001090819126 776855607 /nfs/dbraw/zinc/85/56/07/776855607.db2.gz ZLIYOUXEWUAOKC-KGLIPLIRSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001090819126 776855617 /nfs/dbraw/zinc/85/56/17/776855617.db2.gz ZLIYOUXEWUAOKC-KGLIPLIRSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001090819128 776856533 /nfs/dbraw/zinc/85/65/33/776856533.db2.gz ZLIYOUXEWUAOKC-ZIAGYGMSSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001090819128 776856540 /nfs/dbraw/zinc/85/65/40/776856540.db2.gz ZLIYOUXEWUAOKC-ZIAGYGMSSA-N 2 2 324.425 -1.088 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C)[C@@H](CO)C2)C[C@H]1CO ZINC001119821249 779513825 /nfs/dbraw/zinc/51/38/25/779513825.db2.gz NYHPLQWVOODSSG-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@H+](C)[C@@H](CO)C2)C[C@H]1CO ZINC001119821249 779513830 /nfs/dbraw/zinc/51/38/30/779513830.db2.gz NYHPLQWVOODSSG-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@H+](C)[C@H](CO)C2)C[C@@H]1CO ZINC001119821249 779513836 /nfs/dbraw/zinc/51/38/36/779513836.db2.gz NYHPLQWVOODSSG-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C)[C@H](CO)C2)C[C@@H]1CO ZINC001119821249 779513843 /nfs/dbraw/zinc/51/38/43/779513843.db2.gz NYHPLQWVOODSSG-SSGMOAHOSA-N 2 2 312.458 -1.241 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001149570914 779636188 /nfs/dbraw/zinc/63/61/88/779636188.db2.gz GCQQBNWDXPYLGD-UHFFFAOYSA-N 2 2 322.369 -1.390 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150726070 779665976 /nfs/dbraw/zinc/66/59/76/779665976.db2.gz ZGADBPRJVPVCEL-GFCCVEGCSA-N 2 2 309.370 -1.116 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150726070 779665984 /nfs/dbraw/zinc/66/59/84/779665984.db2.gz ZGADBPRJVPVCEL-GFCCVEGCSA-N 2 2 309.370 -1.116 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001151152386 779672766 /nfs/dbraw/zinc/67/27/66/779672766.db2.gz RIETYOZANWQYFI-NSHDSACASA-N 2 2 311.390 -1.616 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001151736892 779681777 /nfs/dbraw/zinc/68/17/77/779681777.db2.gz AKIQJKVOIYWSET-GHMZBOCLSA-N 2 2 311.390 -1.302 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001151736892 779681783 /nfs/dbraw/zinc/68/17/83/779681783.db2.gz AKIQJKVOIYWSET-GHMZBOCLSA-N 2 2 311.390 -1.302 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001153500593 779704852 /nfs/dbraw/zinc/70/48/52/779704852.db2.gz QHKDIFIDLUFABP-UHFFFAOYSA-N 2 2 308.342 -1.469 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NC[C@H]1CCOC1 ZINC001153500563 779705053 /nfs/dbraw/zinc/70/50/53/779705053.db2.gz PCTGLJUFCJSLET-GFCCVEGCSA-N 2 2 309.370 -1.258 20 0 DAADLP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383476 779741016 /nfs/dbraw/zinc/74/10/16/779741016.db2.gz LWMAOGACPCYIQZ-SNVBAGLBSA-N 2 2 324.385 -1.016 20 0 DAADLP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383476 779741018 /nfs/dbraw/zinc/74/10/18/779741018.db2.gz LWMAOGACPCYIQZ-SNVBAGLBSA-N 2 2 324.385 -1.016 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265765 779750344 /nfs/dbraw/zinc/75/03/44/779750344.db2.gz WIVPJQXMQJAJGX-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001157265788 779750582 /nfs/dbraw/zinc/75/05/82/779750582.db2.gz XFKOUOVVHNSVKE-UHFFFAOYSA-N 2 2 322.369 -1.010 20 0 DAADLP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)N1CCCC1 ZINC001157379872 779753283 /nfs/dbraw/zinc/75/32/83/779753283.db2.gz QKUVLZYLAMRZNC-AVGNSLFASA-N 3 2 311.430 -1.231 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001157999474 779763937 /nfs/dbraw/zinc/76/39/37/779763937.db2.gz ROTYESJPOIQMAW-BXUZGUMPSA-N 2 2 310.354 -1.142 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O ZINC001158006687 779763978 /nfs/dbraw/zinc/76/39/78/779763978.db2.gz MUVCOBYJAOYCOS-WOPDTQHZSA-N 2 2 313.354 -1.499 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])C(=O)OC ZINC001157999253 779764171 /nfs/dbraw/zinc/76/41/71/779764171.db2.gz PKXVHEZUCULZMA-VHSXEESVSA-N 2 2 301.343 -1.370 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001157999761 779764253 /nfs/dbraw/zinc/76/42/53/779764253.db2.gz UFRLAFBZIOMUNH-YPMHNXCESA-N 2 2 321.381 -1.034 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157999080 779764270 /nfs/dbraw/zinc/76/42/70/779764270.db2.gz NWJJNZQTLGQJQI-QWRGUYRKSA-N 2 2 312.370 -2.320 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CCC(N)=O ZINC001157998509 779764327 /nfs/dbraw/zinc/76/43/27/779764327.db2.gz GSGZCRBTQAYLSC-VHSXEESVSA-N 2 2 300.359 -1.667 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ncn2c1C[NH2+]CC2 ZINC001158007481 779764513 /nfs/dbraw/zinc/76/45/13/779764513.db2.gz SVIGRDRPOVCXKT-LLVKDONJSA-N 2 2 307.354 -1.037 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157998811 779764598 /nfs/dbraw/zinc/76/45/98/779764598.db2.gz IDEIBGCSPDFFQN-TYNCELHUSA-N 3 2 310.398 -1.451 20 0 DAADLP O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158109785 779767279 /nfs/dbraw/zinc/76/72/79/779767279.db2.gz CHRJPKJESVKDQE-XZJROXQQSA-N 3 2 319.409 -2.124 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109303 779767349 /nfs/dbraw/zinc/76/73/49/779767349.db2.gz ATDMIRKFPKNRIH-SDBXPKJASA-N 2 2 320.357 -2.992 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110997 779767472 /nfs/dbraw/zinc/76/74/72/779767472.db2.gz IYVSDEJQBKJYFW-OAHLLOKOSA-N 2 2 321.381 -2.644 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111501 779768227 /nfs/dbraw/zinc/76/82/27/779768227.db2.gz ONUQVUBQIWAHHH-XHDPSFHLSA-N 3 2 318.381 -1.782 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111494 779768804 /nfs/dbraw/zinc/76/88/04/779768804.db2.gz ONUQVUBQIWAHHH-ABAIWWIYSA-N 3 2 318.381 -1.782 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC001158166803 779769990 /nfs/dbraw/zinc/76/99/90/779769990.db2.gz DJFXHUHFBFYXNL-QNWHQSFQSA-N 2 2 311.382 -1.026 20 0 DAADLP COC(=O)[C@H]1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC001158166801 779770134 /nfs/dbraw/zinc/77/01/34/779770134.db2.gz DJFXHUHFBFYXNL-FDYHWXHSSA-N 2 2 311.382 -1.026 20 0 DAADLP COC(=O)[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC001158166804 779771233 /nfs/dbraw/zinc/77/12/33/779771233.db2.gz DJFXHUHFBFYXNL-UMSGYPCISA-N 2 2 311.382 -1.026 20 0 DAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001158206390 779771509 /nfs/dbraw/zinc/77/15/09/779771509.db2.gz MJEDJLRKTJVFLN-LLVKDONJSA-N 3 2 303.370 -1.066 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276876 779772986 /nfs/dbraw/zinc/77/29/86/779772986.db2.gz GBNDPDIIWQEUCT-QWRGUYRKSA-N 3 2 305.386 -1.754 20 0 DAADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001158348101 779774077 /nfs/dbraw/zinc/77/40/77/779774077.db2.gz QFXMLQFRYRHYOW-WPRPVWTQSA-N 2 2 309.370 -1.530 20 0 DAADLP O=C(N1CCC2(CC1)COCC(=O)N2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158327101 779774226 /nfs/dbraw/zinc/77/42/26/779774226.db2.gz RBXJVIXVYKYXBL-NHYWBVRUSA-N 2 2 308.382 -1.555 20 0 DAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158495626 779776719 /nfs/dbraw/zinc/77/67/19/779776719.db2.gz AGCPDJBMZAFALY-VGBQHSPPSA-N 3 2 322.409 -1.310 20 0 DAADLP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001158789999 779780333 /nfs/dbraw/zinc/78/03/33/779780333.db2.gz HGRNCSZZOTZEBJ-DCAQKATOSA-N 2 2 308.386 -1.083 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)C1 ZINC001159273132 779791482 /nfs/dbraw/zinc/79/14/82/779791482.db2.gz PAXUIDIJRJKHPG-RVMXOQNASA-N 2 2 318.381 -1.418 20 0 DAADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)nc[nH+]1 ZINC001159681416 779795551 /nfs/dbraw/zinc/79/55/51/779795551.db2.gz OWOAYPXVVCTXIV-VWYCJHECSA-N 2 2 306.370 -1.077 20 0 DAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])[C@H]2C1 ZINC001160000040 779799169 /nfs/dbraw/zinc/79/91/69/779799169.db2.gz XKXBDFKGWCMFGO-RHYQMDGZSA-N 2 2 316.427 -1.585 20 0 DAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001160174388 779801990 /nfs/dbraw/zinc/80/19/90/779801990.db2.gz UJLPRVCLZLPQCU-COPLHBTASA-N 2 2 309.370 -2.518 20 0 DAADLP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CCO2 ZINC001160180557 779802736 /nfs/dbraw/zinc/80/27/36/779802736.db2.gz VLKHQLMKNZGIJD-IPYPFGDCSA-N 2 2 310.398 -1.085 20 0 DAADLP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CCO2 ZINC001160180440 779803485 /nfs/dbraw/zinc/80/34/85/779803485.db2.gz SVGZTDCWKDKDPY-YDHLFZDLSA-N 2 2 310.398 -1.227 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160432273 779806004 /nfs/dbraw/zinc/80/60/04/779806004.db2.gz SCDMDQJOCUGJEV-NSHDSACASA-N 2 2 315.399 -1.606 20 0 DAADLP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160438881 779806428 /nfs/dbraw/zinc/80/64/28/779806428.db2.gz CRDUQBBWPLUWDQ-OZWUEAAUSA-N 2 2 324.381 -1.512 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160431731 779806908 /nfs/dbraw/zinc/80/69/08/779806908.db2.gz CMTZPGFSEHJQSI-GARJFASQSA-N 2 2 302.400 -1.960 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160431959 779807055 /nfs/dbraw/zinc/80/70/55/779807055.db2.gz JLBORVBDLYSWPR-SNVBAGLBSA-N 2 2 301.372 -1.617 20 0 DAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160494751 779809116 /nfs/dbraw/zinc/80/91/16/779809116.db2.gz VDWKPENVRLCGIH-AZQAYCESSA-N 2 2 317.367 -1.851 20 0 DAADLP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160494759 779809762 /nfs/dbraw/zinc/80/97/62/779809762.db2.gz VDWKPENVRLCGIH-OORONAJNSA-N 2 2 317.367 -1.851 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC001160505798 779809795 /nfs/dbraw/zinc/80/97/95/779809795.db2.gz GKKQLEYRQGRIJM-AGIUHOORSA-N 2 2 310.398 -1.085 20 0 DAADLP O=C(N1CCc2[nH]c(=O)[nH]c(=O)c2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160640555 779813541 /nfs/dbraw/zinc/81/35/41/779813541.db2.gz HKTZHZOLYIADGB-CLAHSXSESA-N 2 2 305.338 -1.276 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160694729 779816452 /nfs/dbraw/zinc/81/64/52/779816452.db2.gz ZBRNZQABPIFKAP-AXFHLTTASA-N 2 2 309.370 -1.060 20 0 DAADLP CN(CCC1OCCO1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160682641 779816776 /nfs/dbraw/zinc/81/67/76/779816776.db2.gz HFDJHRYZSPBTJR-LBPRGKRZSA-N 2 2 300.403 -1.042 20 0 DAADLP O=C(N1CCC2(CC1)CNC(=O)CO2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160772661 779817838 /nfs/dbraw/zinc/81/78/38/779817838.db2.gz UWFQYUFXPGZLRT-NHYWBVRUSA-N 2 2 308.382 -1.555 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790368 779818263 /nfs/dbraw/zinc/81/82/63/779818263.db2.gz OGNDAZOROFVPCJ-RYUDHWBXSA-N 2 2 307.354 -1.641 20 0 DAADLP COC(=O)c1cn2c(n1)CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160902071 779822940 /nfs/dbraw/zinc/82/29/40/779822940.db2.gz KYUQZEXXVSEXSV-ZUZCIYMTSA-N 2 2 319.365 -1.037 20 0 DAADLP COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001160901195 779823321 /nfs/dbraw/zinc/82/33/21/779823321.db2.gz BACFOSOYXBZYPM-GARJFASQSA-N 2 2 319.365 -1.038 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161082413 779826764 /nfs/dbraw/zinc/82/67/64/779826764.db2.gz OTOMEFBSPUBKJS-NSHDSACASA-N 2 2 306.370 -1.036 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)C1 ZINC001161138411 779828262 /nfs/dbraw/zinc/82/82/62/779828262.db2.gz UNXCHWDNWBTFBW-QMTHXVAHSA-N 2 2 307.354 -1.295 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001161137935 779828610 /nfs/dbraw/zinc/82/86/10/779828610.db2.gz IMFRLUFGTKFUDL-BMIGLBTASA-N 2 2 324.381 -1.795 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172508 779830336 /nfs/dbraw/zinc/83/03/36/779830336.db2.gz VHEFIBLQBHGDFZ-AHLTXXRQSA-N 2 2 305.382 -1.074 20 0 DAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238281 779830729 /nfs/dbraw/zinc/83/07/29/779830729.db2.gz SFSCJSFJPXGUSI-WDEREUQCSA-N 2 2 312.370 -1.748 20 0 DAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238281 779830732 /nfs/dbraw/zinc/83/07/32/779830732.db2.gz SFSCJSFJPXGUSI-WDEREUQCSA-N 2 2 312.370 -1.748 20 0 DAADLP CCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001161264217 779831931 /nfs/dbraw/zinc/83/19/31/779831931.db2.gz LAPXASWUCDAGFP-QWRGUYRKSA-N 2 2 304.416 -1.537 20 0 DAADLP CCS(=O)(=O)NC1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001161260265 779832568 /nfs/dbraw/zinc/83/25/68/779832568.db2.gz MLTBGVVKKLYWFN-UHFFFAOYSA-N 2 2 318.443 -1.002 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCN1C(C)=O ZINC001161295112 779833168 /nfs/dbraw/zinc/83/31/68/779833168.db2.gz GCPGMFHOTRVUPG-SLEUVZQESA-N 2 2 324.381 -1.830 20 0 DAADLP COC(=O)[C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCN1C(C)=O ZINC001161295360 779834128 /nfs/dbraw/zinc/83/41/28/779834128.db2.gz JNJXPCRKXQVGIX-NSHDSACASA-N 2 2 312.370 -1.700 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001161477466 779838338 /nfs/dbraw/zinc/83/83/38/779838338.db2.gz IVIAIXHHUZROJP-RVBZMBCESA-N 2 2 323.357 -2.177 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001161479125 779838429 /nfs/dbraw/zinc/83/84/29/779838429.db2.gz OEZZSEQOHZLRTD-XHDPSFHLSA-N 2 2 324.381 -1.828 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001161479123 779838473 /nfs/dbraw/zinc/83/84/73/779838473.db2.gz OEZZSEQOHZLRTD-IAQYHMDHSA-N 2 2 324.381 -1.828 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161477003 779839326 /nfs/dbraw/zinc/83/93/26/779839326.db2.gz GCAOQCJPUONXGK-IMSIIYSGSA-N 2 2 313.354 -1.370 20 0 DAADLP C[NH+]1CCN(c2nccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n2)CC1 ZINC001162443130 779856958 /nfs/dbraw/zinc/85/69/58/779856958.db2.gz FXQZLSVLMQYDPJ-AVGNSLFASA-N 2 2 319.417 -2.275 20 0 DAADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586216 779909804 /nfs/dbraw/zinc/90/98/04/779909804.db2.gz RROLCGBHQJBBRC-MXWKQRLJSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586216 779909808 /nfs/dbraw/zinc/90/98/08/779909808.db2.gz RROLCGBHQJBBRC-MXWKQRLJSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206586216 779909813 /nfs/dbraw/zinc/90/98/13/779909813.db2.gz RROLCGBHQJBBRC-MXWKQRLJSA-N 2 2 311.386 -1.288 20 0 DAADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206586216 779909818 /nfs/dbraw/zinc/90/98/18/779909818.db2.gz RROLCGBHQJBBRC-MXWKQRLJSA-N 2 2 311.386 -1.288 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970991 779915900 /nfs/dbraw/zinc/91/59/00/779915900.db2.gz TUMBJTLWOGXUGE-UHFFFAOYSA-N 2 2 322.369 -1.094 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208004715 779932142 /nfs/dbraw/zinc/93/21/42/779932142.db2.gz BKTMXJRFEOIDDA-MWLCHTKSSA-N 2 2 322.369 -1.177 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208004715 779932150 /nfs/dbraw/zinc/93/21/50/779932150.db2.gz BKTMXJRFEOIDDA-MWLCHTKSSA-N 2 2 322.369 -1.177 20 0 DAADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490902 779942094 /nfs/dbraw/zinc/94/20/94/779942094.db2.gz NJZMKAAMFDGWKC-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490902 779942096 /nfs/dbraw/zinc/94/20/96/779942096.db2.gz NJZMKAAMFDGWKC-GHMZBOCLSA-N 2 2 310.402 -1.003 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835384 779956753 /nfs/dbraw/zinc/95/67/53/779956753.db2.gz AJIUEGYSBWOUBV-VIFPVBQESA-N 2 2 308.342 -1.272 20 0 DAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859428 779984968 /nfs/dbraw/zinc/98/49/68/779984968.db2.gz BXJAVZCXZBCHSE-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859428 779984979 /nfs/dbraw/zinc/98/49/79/779984979.db2.gz BXJAVZCXZBCHSE-ZIAGYGMSSA-N 2 2 315.414 -1.094 20 0 DAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863784 779985440 /nfs/dbraw/zinc/98/54/40/779985440.db2.gz SGDVGXPUUDHASO-MGPQQGTHSA-N 2 2 315.414 -1.238 20 0 DAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863784 779985446 /nfs/dbraw/zinc/98/54/46/779985446.db2.gz SGDVGXPUUDHASO-MGPQQGTHSA-N 2 2 315.414 -1.238 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857165 779985560 /nfs/dbraw/zinc/98/55/60/779985560.db2.gz GVONAZBSWHZEMF-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857165 779985561 /nfs/dbraw/zinc/98/55/61/779985561.db2.gz GVONAZBSWHZEMF-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857165 779985565 /nfs/dbraw/zinc/98/55/65/779985565.db2.gz GVONAZBSWHZEMF-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857165 779985569 /nfs/dbraw/zinc/98/55/69/779985569.db2.gz GVONAZBSWHZEMF-YNEHKIRRSA-N 2 2 312.414 -1.110 20 0 DAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213977661 779987400 /nfs/dbraw/zinc/98/74/00/779987400.db2.gz SBFVBJCAIWHPBO-CHWSQXEVSA-N 2 2 312.370 -1.293 20 0 DAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213977661 779987404 /nfs/dbraw/zinc/98/74/04/779987404.db2.gz SBFVBJCAIWHPBO-CHWSQXEVSA-N 2 2 312.370 -1.293 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218619503 780036810 /nfs/dbraw/zinc/03/68/10/780036810.db2.gz BGEWNZVCEBJJQT-UFBFGSQYSA-N 2 2 319.365 -1.362 20 0 DAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[NH2+]CCN1 ZINC001218668575 780038806 /nfs/dbraw/zinc/03/88/06/780038806.db2.gz FAZGRNMTEHQCGE-ZDUSSCGKSA-N 2 2 308.386 -1.285 20 0 DAADLP NS(=O)(=O)c1cncc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218750337 780040487 /nfs/dbraw/zinc/04/04/87/780040487.db2.gz DPVKRUWTTXZRJB-SNVBAGLBSA-N 2 2 310.339 -1.039 20 0 DAADLP CCN=c1ncc(N)cn1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218739538 780040739 /nfs/dbraw/zinc/04/07/39/780040739.db2.gz FAJQABJJZGYEHY-LBPRGKRZSA-N 2 2 307.402 -1.224 20 0 DAADLP CCN=c1ncc(N)cn1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218739538 780040747 /nfs/dbraw/zinc/04/07/47/780040747.db2.gz FAJQABJJZGYEHY-LBPRGKRZSA-N 2 2 307.402 -1.224 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726686 780041021 /nfs/dbraw/zinc/04/10/21/780041021.db2.gz QJGRRTVLSIDDJB-ZJUUUORDSA-N 2 2 318.341 -1.156 20 0 DAADLP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218901984 780042719 /nfs/dbraw/zinc/04/27/19/780042719.db2.gz RYZQICCZHOXABD-XCBNKYQSSA-N 2 2 314.367 -1.072 20 0 DAADLP Nc1ccc(S(N)(=O)=O)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218915086 780044165 /nfs/dbraw/zinc/04/41/65/780044165.db2.gz IZBICKSABDLAMM-UHFFFAOYSA-N 2 2 313.383 -1.064 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357830 780083256 /nfs/dbraw/zinc/08/32/56/780083256.db2.gz MOEHVVNKBKQUAT-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357830 780083260 /nfs/dbraw/zinc/08/32/60/780083260.db2.gz MOEHVVNKBKQUAT-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357830 780083268 /nfs/dbraw/zinc/08/32/68/780083268.db2.gz MOEHVVNKBKQUAT-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357830 780083278 /nfs/dbraw/zinc/08/32/78/780083278.db2.gz MOEHVVNKBKQUAT-MCIONIFRSA-N 2 2 324.425 -1.232 20 0 DAADLP C[C@@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)COCC[NH2+]1 ZINC001219678246 780132818 /nfs/dbraw/zinc/13/28/18/780132818.db2.gz IIRHTCBEDSSGAD-LBPRGKRZSA-N 2 2 320.415 -2.284 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219695843 780135546 /nfs/dbraw/zinc/13/55/46/780135546.db2.gz ZSJZMDLOXZAREF-AEJSXWLSSA-N 2 2 315.374 -2.859 20 0 DAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219695843 780135550 /nfs/dbraw/zinc/13/55/50/780135550.db2.gz ZSJZMDLOXZAREF-AEJSXWLSSA-N 2 2 315.374 -2.859 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)NC[C@H]1CC3(C[NH2+]C3)CO1)C[NH2+]C2 ZINC001219737431 780140112 /nfs/dbraw/zinc/14/01/12/780140112.db2.gz VYBDAZSZMATHAK-GHMZBOCLSA-N 2 2 320.397 -1.021 20 0 DAADLP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]Cc2ccnn21 ZINC001219745728 780141357 /nfs/dbraw/zinc/14/13/57/780141357.db2.gz AFYAHAOGQWHBGH-LLVKDONJSA-N 2 2 316.369 -1.071 20 0 DAADLP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219750200 780142434 /nfs/dbraw/zinc/14/24/34/780142434.db2.gz XGVRGOXWXTWTKX-HZMBPMFUSA-N 3 2 305.386 -1.661 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771982 780145659 /nfs/dbraw/zinc/14/56/59/780145659.db2.gz VBRPHPZUFKJKAO-TZMCWYRMSA-N 3 2 301.410 -1.055 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771979 780146537 /nfs/dbraw/zinc/14/65/37/780146537.db2.gz VBRPHPZUFKJKAO-GXTWGEPZSA-N 3 2 301.410 -1.055 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771981 780147089 /nfs/dbraw/zinc/14/70/89/780147089.db2.gz VBRPHPZUFKJKAO-OCCSQVGLSA-N 3 2 301.410 -1.055 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CCC1 ZINC001219802218 780147898 /nfs/dbraw/zinc/14/78/98/780147898.db2.gz IOWHHWUQQPRSAA-UPJWGTAASA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CCC1 ZINC001219802218 780147906 /nfs/dbraw/zinc/14/79/06/780147906.db2.gz IOWHHWUQQPRSAA-UPJWGTAASA-N 2 2 324.425 -1.089 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798431 780148239 /nfs/dbraw/zinc/14/82/39/780148239.db2.gz MEFFGVVFHPYGCI-WOPDTQHZSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798431 780148243 /nfs/dbraw/zinc/14/82/43/780148243.db2.gz MEFFGVVFHPYGCI-WOPDTQHZSA-N 2 2 312.414 -1.104 20 0 DAADLP O=C(C[C@@H]1COCC[NH2+]1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805613 780150019 /nfs/dbraw/zinc/15/00/19/780150019.db2.gz AOLHBDWUYJPXJU-GFCCVEGCSA-N 2 2 321.381 -1.269 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814021 780151245 /nfs/dbraw/zinc/15/12/45/780151245.db2.gz OQPRZJBLWRVCOP-UHTWSYAYSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814021 780151250 /nfs/dbraw/zinc/15/12/50/780151250.db2.gz OQPRZJBLWRVCOP-UHTWSYAYSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814021 780151255 /nfs/dbraw/zinc/15/12/55/780151255.db2.gz OQPRZJBLWRVCOP-UHTWSYAYSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814021 780151261 /nfs/dbraw/zinc/15/12/61/780151261.db2.gz OQPRZJBLWRVCOP-UHTWSYAYSA-N 2 2 312.414 -1.234 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816058 780151413 /nfs/dbraw/zinc/15/14/13/780151413.db2.gz WUVYOCYZMYJLOO-AGIUHOORSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816058 780151419 /nfs/dbraw/zinc/15/14/19/780151419.db2.gz WUVYOCYZMYJLOO-AGIUHOORSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816058 780151427 /nfs/dbraw/zinc/15/14/27/780151427.db2.gz WUVYOCYZMYJLOO-AGIUHOORSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816058 780151435 /nfs/dbraw/zinc/15/14/35/780151435.db2.gz WUVYOCYZMYJLOO-AGIUHOORSA-N 2 2 312.414 -1.104 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814020 780151930 /nfs/dbraw/zinc/15/19/30/780151930.db2.gz OQPRZJBLWRVCOP-RTXFEEFZSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814020 780151936 /nfs/dbraw/zinc/15/19/36/780151936.db2.gz OQPRZJBLWRVCOP-RTXFEEFZSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814020 780151940 /nfs/dbraw/zinc/15/19/40/780151940.db2.gz OQPRZJBLWRVCOP-RTXFEEFZSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814020 780151945 /nfs/dbraw/zinc/15/19/45/780151945.db2.gz OQPRZJBLWRVCOP-RTXFEEFZSA-N 2 2 312.414 -1.234 20 0 DAADLP COC(=O)[C@H]1C[C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC001219813380 780152023 /nfs/dbraw/zinc/15/20/23/780152023.db2.gz RLPAFJOGDVMXSM-OHTBPHCPSA-N 2 2 311.382 -1.120 20 0 DAADLP [NH3+]C1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]CC1 ZINC001219837806 780154602 /nfs/dbraw/zinc/15/46/02/780154602.db2.gz MBYRCFOFOHRLIS-JSGCOSHPSA-N 3 2 312.414 -1.421 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)C[NH2+]1 ZINC001219965346 780167489 /nfs/dbraw/zinc/16/74/89/780167489.db2.gz KEBJVXOQGHLZNS-UMNHJUIQSA-N 2 2 307.354 -1.378 20 0 DAADLP CNS(=O)(=O)CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219961492 780167655 /nfs/dbraw/zinc/16/76/55/780167655.db2.gz MZPNTLHBQXTMBB-LLVKDONJSA-N 2 2 300.384 -1.076 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969479 780168090 /nfs/dbraw/zinc/16/80/90/780168090.db2.gz BIAZAGFQERVWSZ-PWSUYJOCSA-N 2 2 310.402 -1.635 20 0 DAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C[NH2+]1 ZINC001219965469 780168157 /nfs/dbraw/zinc/16/81/57/780168157.db2.gz OSWGCOWUCPVSCE-HLTSFMKQSA-N 2 2 301.347 -2.218 20 0 DAADLP CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)o1 ZINC001220010772 780170423 /nfs/dbraw/zinc/17/04/23/780170423.db2.gz JOKAVBKLEKXIDQ-XHNCKOQMSA-N 2 2 309.326 -1.188 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143566 780184443 /nfs/dbraw/zinc/18/44/43/780184443.db2.gz MZNDHRIMONXTBY-NSHDSACASA-N 2 2 312.395 -1.017 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001220166444 780188486 /nfs/dbraw/zinc/18/84/86/780188486.db2.gz YFLMENUFPFCJKZ-MQYQWHSLSA-N 2 2 315.414 -1.361 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001220166444 780188491 /nfs/dbraw/zinc/18/84/91/780188491.db2.gz YFLMENUFPFCJKZ-MQYQWHSLSA-N 2 2 315.414 -1.361 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001220166444 780188492 /nfs/dbraw/zinc/18/84/92/780188492.db2.gz YFLMENUFPFCJKZ-MQYQWHSLSA-N 2 2 315.414 -1.361 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001220166444 780188498 /nfs/dbraw/zinc/18/84/98/780188498.db2.gz YFLMENUFPFCJKZ-MQYQWHSLSA-N 2 2 315.414 -1.361 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)C1=O ZINC001220227183 780192740 /nfs/dbraw/zinc/19/27/40/780192740.db2.gz KRXSPUFQXZZOGU-AGIUHOORSA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)C1=O ZINC001220227183 780192743 /nfs/dbraw/zinc/19/27/43/780192743.db2.gz KRXSPUFQXZZOGU-AGIUHOORSA-N 2 2 324.425 -1.280 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220228865 780192820 /nfs/dbraw/zinc/19/28/20/780192820.db2.gz AZCPQFOGRVSDPT-AGIUHOORSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220228865 780192821 /nfs/dbraw/zinc/19/28/21/780192821.db2.gz AZCPQFOGRVSDPT-AGIUHOORSA-N 2 2 324.425 -1.232 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230492 780193040 /nfs/dbraw/zinc/19/30/40/780193040.db2.gz HNZUVAPFLVENIP-WOPDTQHZSA-N 2 2 312.414 -1.247 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220232310 780193021 /nfs/dbraw/zinc/19/30/21/780193021.db2.gz OWXLNIUIWVRZFW-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220232310 780193023 /nfs/dbraw/zinc/19/30/23/780193023.db2.gz OWXLNIUIWVRZFW-OLZOCXBDSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230492 780193044 /nfs/dbraw/zinc/19/30/44/780193044.db2.gz HNZUVAPFLVENIP-WOPDTQHZSA-N 2 2 312.414 -1.247 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238580 780194238 /nfs/dbraw/zinc/19/42/38/780194238.db2.gz XELSSFPVUNBDPP-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238580 780194241 /nfs/dbraw/zinc/19/42/41/780194241.db2.gz XELSSFPVUNBDPP-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220268318 780197456 /nfs/dbraw/zinc/19/74/56/780197456.db2.gz CYEVHLPIYWBYEJ-JTQLQIEISA-N 2 2 303.388 -1.703 20 0 DAADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277112 780198216 /nfs/dbraw/zinc/19/82/16/780198216.db2.gz QYMLBTWZYSVZSX-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277112 780198223 /nfs/dbraw/zinc/19/82/23/780198223.db2.gz QYMLBTWZYSVZSX-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220272067 780198541 /nfs/dbraw/zinc/19/85/41/780198541.db2.gz QHUZXNCWOWRRHY-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220272067 780198545 /nfs/dbraw/zinc/19/85/45/780198545.db2.gz QHUZXNCWOWRRHY-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277073 780198916 /nfs/dbraw/zinc/19/89/16/780198916.db2.gz PYFPTGJRRXEEJC-TUAOUCFPSA-N 2 2 300.403 -1.424 20 0 DAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277073 780198918 /nfs/dbraw/zinc/19/89/18/780198918.db2.gz PYFPTGJRRXEEJC-TUAOUCFPSA-N 2 2 300.403 -1.424 20 0 DAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220275232 780199059 /nfs/dbraw/zinc/19/90/59/780199059.db2.gz VYEWYXHSFRMFPV-GFCCVEGCSA-N 2 2 309.370 -1.524 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290784 780200238 /nfs/dbraw/zinc/20/02/38/780200238.db2.gz DRUFQPOLGPBJMK-NDMJEZRESA-N 2 2 311.386 -1.081 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290784 780200241 /nfs/dbraw/zinc/20/02/41/780200241.db2.gz DRUFQPOLGPBJMK-NDMJEZRESA-N 2 2 311.386 -1.081 20 0 DAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001220297193 780200262 /nfs/dbraw/zinc/20/02/62/780200262.db2.gz OUOPTNPPRLZKRA-MBNYWOFBSA-N 2 2 314.430 -1.178 20 0 DAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001220297193 780200264 /nfs/dbraw/zinc/20/02/64/780200264.db2.gz OUOPTNPPRLZKRA-MBNYWOFBSA-N 2 2 314.430 -1.178 20 0 DAADLP Cc1cc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)n(N)c(=O)c1 ZINC001220323066 780202633 /nfs/dbraw/zinc/20/26/33/780202633.db2.gz CBIVHODLOCHIGO-LLVKDONJSA-N 2 2 308.386 -1.441 20 0 DAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220352004 780204191 /nfs/dbraw/zinc/20/41/91/780204191.db2.gz PXKKZWCRKWIZEB-MJBXVCDLSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001220352004 780204197 /nfs/dbraw/zinc/20/41/97/780204197.db2.gz PXKKZWCRKWIZEB-MJBXVCDLSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220352004 780204201 /nfs/dbraw/zinc/20/42/01/780204201.db2.gz PXKKZWCRKWIZEB-MJBXVCDLSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220352004 780204206 /nfs/dbraw/zinc/20/42/06/780204206.db2.gz PXKKZWCRKWIZEB-MJBXVCDLSA-N 2 2 315.414 -1.359 20 0 DAADLP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CCC2 ZINC001220377065 780206968 /nfs/dbraw/zinc/20/69/68/780206968.db2.gz JBRNHYZBQXVRAM-JTQLQIEISA-N 2 2 302.342 -1.097 20 0 DAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)O1 ZINC001220481584 780218190 /nfs/dbraw/zinc/21/81/90/780218190.db2.gz KTFPHMANTIBSAE-HVNMYJMUSA-N 3 2 312.414 -1.221 20 0 DAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)O1 ZINC001220481754 780218257 /nfs/dbraw/zinc/21/82/57/780218257.db2.gz PYCYRQKSHRZPDU-IJLUTSLNSA-N 3 2 300.403 -1.092 20 0 DAADLP CCOC(=O)C1=C(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[NH2+]C1 ZINC001220521972 780222480 /nfs/dbraw/zinc/22/24/80/780222480.db2.gz WAOMRGDTTIANJL-MEBBXXQBSA-N 3 2 308.382 -1.135 20 0 DAADLP CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553635 780226432 /nfs/dbraw/zinc/22/64/32/780226432.db2.gz NVIRLZCNDHNBIV-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553635 780226440 /nfs/dbraw/zinc/22/64/40/780226440.db2.gz NVIRLZCNDHNBIV-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP COC(=O)CNC(=O)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220574885 780229286 /nfs/dbraw/zinc/22/92/86/780229286.db2.gz DDSLYRXHVJFUSU-NSHDSACASA-N 2 2 308.338 -1.336 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220578468 780230249 /nfs/dbraw/zinc/23/02/49/780230249.db2.gz DDPFQBUPSDJDEK-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220578468 780230257 /nfs/dbraw/zinc/23/02/57/780230257.db2.gz DDPFQBUPSDJDEK-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688510 780238453 /nfs/dbraw/zinc/23/84/53/780238453.db2.gz JGGDBNXPWYITIC-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688510 780238461 /nfs/dbraw/zinc/23/84/61/780238461.db2.gz JGGDBNXPWYITIC-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688510 780238464 /nfs/dbraw/zinc/23/84/64/780238464.db2.gz JGGDBNXPWYITIC-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688510 780238468 /nfs/dbraw/zinc/23/84/68/780238468.db2.gz JGGDBNXPWYITIC-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688463 780239303 /nfs/dbraw/zinc/23/93/03/780239303.db2.gz HQXXHCQUIONIIX-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688463 780239307 /nfs/dbraw/zinc/23/93/07/780239307.db2.gz HQXXHCQUIONIIX-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688463 780239312 /nfs/dbraw/zinc/23/93/12/780239312.db2.gz HQXXHCQUIONIIX-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688463 780239313 /nfs/dbraw/zinc/23/93/13/780239313.db2.gz HQXXHCQUIONIIX-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220689002 780241600 /nfs/dbraw/zinc/24/16/00/780241600.db2.gz ZSMCNGHIRKQYMK-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220689002 780241608 /nfs/dbraw/zinc/24/16/08/780241608.db2.gz ZSMCNGHIRKQYMK-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220689002 780241611 /nfs/dbraw/zinc/24/16/11/780241611.db2.gz ZSMCNGHIRKQYMK-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220689002 780241616 /nfs/dbraw/zinc/24/16/16/780241616.db2.gz ZSMCNGHIRKQYMK-UTUOFQBUSA-N 2 2 300.403 -1.376 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220724941 780244192 /nfs/dbraw/zinc/24/41/92/780244192.db2.gz JXYUSUXHMQBHHN-GHMZBOCLSA-N 2 2 301.391 -1.401 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220724941 780244199 /nfs/dbraw/zinc/24/41/99/780244199.db2.gz JXYUSUXHMQBHHN-GHMZBOCLSA-N 2 2 301.391 -1.401 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764365 780245316 /nfs/dbraw/zinc/24/53/16/780245316.db2.gz IWWUBNMNUZTKOK-UPJWGTAASA-N 2 2 312.414 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764365 780245321 /nfs/dbraw/zinc/24/53/21/780245321.db2.gz IWWUBNMNUZTKOK-UPJWGTAASA-N 2 2 312.414 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764365 780245326 /nfs/dbraw/zinc/24/53/26/780245326.db2.gz IWWUBNMNUZTKOK-UPJWGTAASA-N 2 2 312.414 -1.374 20 0 DAADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764365 780245332 /nfs/dbraw/zinc/24/53/32/780245332.db2.gz IWWUBNMNUZTKOK-UPJWGTAASA-N 2 2 312.414 -1.374 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220771866 780246569 /nfs/dbraw/zinc/24/65/69/780246569.db2.gz FGSTVHHPOQELRK-QWHCGFSZSA-N 3 2 323.397 -1.053 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220785945 780246798 /nfs/dbraw/zinc/24/67/98/780246798.db2.gz HMVZWGXDRPZRIP-GVXVVHGQSA-N 2 2 316.369 -1.069 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220785946 780246999 /nfs/dbraw/zinc/24/69/99/780246999.db2.gz HMVZWGXDRPZRIP-MDZLAQPJSA-N 2 2 316.369 -1.069 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC001220772323 780247046 /nfs/dbraw/zinc/24/70/46/780247046.db2.gz NEOPRXHVUBCQCU-CMPLNLGQSA-N 2 2 310.354 -1.001 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220770492 780247456 /nfs/dbraw/zinc/24/74/56/780247456.db2.gz XQGIHURZQHMSEE-NEPJUHHUSA-N 3 2 321.381 -1.571 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220806978 780248657 /nfs/dbraw/zinc/24/86/57/780248657.db2.gz OEMICVCJOFUJEB-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220806978 780248661 /nfs/dbraw/zinc/24/86/61/780248661.db2.gz OEMICVCJOFUJEB-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799476 780248803 /nfs/dbraw/zinc/24/88/03/780248803.db2.gz BOGJNWALRKDPME-ACZMJKKPSA-N 2 2 307.280 -1.274 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830633 780250652 /nfs/dbraw/zinc/25/06/52/780250652.db2.gz FMVXVNRKSSUAPV-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830633 780250661 /nfs/dbraw/zinc/25/06/61/780250661.db2.gz FMVXVNRKSSUAPV-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830633 780250680 /nfs/dbraw/zinc/25/06/80/780250680.db2.gz FMVXVNRKSSUAPV-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830804 780251399 /nfs/dbraw/zinc/25/13/99/780251399.db2.gz JABPRTLAJUYBGF-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830804 780251402 /nfs/dbraw/zinc/25/14/02/780251402.db2.gz JABPRTLAJUYBGF-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220830804 780251408 /nfs/dbraw/zinc/25/14/08/780251408.db2.gz JABPRTLAJUYBGF-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220825915 780251433 /nfs/dbraw/zinc/25/14/33/780251433.db2.gz JJSJLDXFECWIFM-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220825915 780251434 /nfs/dbraw/zinc/25/14/34/780251434.db2.gz JJSJLDXFECWIFM-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220825915 780251438 /nfs/dbraw/zinc/25/14/38/780251438.db2.gz JJSJLDXFECWIFM-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220825915 780251441 /nfs/dbraw/zinc/25/14/41/780251441.db2.gz JJSJLDXFECWIFM-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875087 780253988 /nfs/dbraw/zinc/25/39/88/780253988.db2.gz SCHBMBQQJOUUBL-GFCCVEGCSA-N 3 2 312.418 -2.715 20 0 DAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876154 780254065 /nfs/dbraw/zinc/25/40/65/780254065.db2.gz FVSCRLQCWLFNDL-LLVKDONJSA-N 2 2 321.337 -1.663 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875105 780254907 /nfs/dbraw/zinc/25/49/07/780254907.db2.gz SUIMAIBLTIIMHK-IUCAKERBSA-N 2 2 301.347 -3.641 20 0 DAADLP O=C(NCCOCCN1C(=O)C=CC1=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220875968 780254931 /nfs/dbraw/zinc/25/49/31/780254931.db2.gz CPQXKRIVHNTWLY-NHYWBVRUSA-N 2 2 322.365 -2.004 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)N(O)N=O ZINC001220901066 780257034 /nfs/dbraw/zinc/25/70/34/780257034.db2.gz SJVUEUUIXXIFCQ-GXSJLCMTSA-N 3 2 301.351 -2.398 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C[NH2+]C2 ZINC001220937699 780262753 /nfs/dbraw/zinc/26/27/53/780262753.db2.gz XYDOLAIMPSKOIQ-GHMZBOCLSA-N 2 2 308.386 -1.021 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978019 780265003 /nfs/dbraw/zinc/26/50/03/780265003.db2.gz IWFFPFHNKVYUOI-XQQFMLRXSA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978019 780265013 /nfs/dbraw/zinc/26/50/13/780265013.db2.gz IWFFPFHNKVYUOI-XQQFMLRXSA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221007191 780268137 /nfs/dbraw/zinc/26/81/37/780268137.db2.gz ZFMZENSVSPQHLC-LPWJVIDDSA-N 3 2 311.430 -1.219 20 0 DAADLP COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(N)=O ZINC001221019540 780271100 /nfs/dbraw/zinc/27/11/00/780271100.db2.gz YFAXFFUYVGVFKZ-UWVGGRQHSA-N 2 2 311.342 -1.787 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221081681 780272677 /nfs/dbraw/zinc/27/26/77/780272677.db2.gz SMPQFYPSNCUIJU-RDBSUJKOSA-N 2 2 324.425 -1.088 20 0 DAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221081681 780272690 /nfs/dbraw/zinc/27/26/90/780272690.db2.gz SMPQFYPSNCUIJU-RDBSUJKOSA-N 2 2 324.425 -1.088 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001221093708 780274839 /nfs/dbraw/zinc/27/48/39/780274839.db2.gz UQOBZKBFRPEUAW-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001221093708 780274849 /nfs/dbraw/zinc/27/48/49/780274849.db2.gz UQOBZKBFRPEUAW-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001221093708 780274858 /nfs/dbraw/zinc/27/48/58/780274858.db2.gz UQOBZKBFRPEUAW-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001221093708 780274869 /nfs/dbraw/zinc/27/48/69/780274869.db2.gz UQOBZKBFRPEUAW-OLZOCXBDSA-N 2 2 312.414 -1.280 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001221089733 780275487 /nfs/dbraw/zinc/27/54/87/780275487.db2.gz PHTRDZVQVAQYJV-NEPJUHHUSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001221089733 780275497 /nfs/dbraw/zinc/27/54/97/780275497.db2.gz PHTRDZVQVAQYJV-NEPJUHHUSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001221089733 780275503 /nfs/dbraw/zinc/27/55/03/780275503.db2.gz PHTRDZVQVAQYJV-NEPJUHHUSA-N 2 2 300.403 -1.424 20 0 DAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001221089733 780275512 /nfs/dbraw/zinc/27/55/12/780275512.db2.gz PHTRDZVQVAQYJV-NEPJUHHUSA-N 2 2 300.403 -1.424 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091335 780276476 /nfs/dbraw/zinc/27/64/76/780276476.db2.gz KOFKTVQABIVYCT-WOPDTQHZSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091335 780276485 /nfs/dbraw/zinc/27/64/85/780276485.db2.gz KOFKTVQABIVYCT-WOPDTQHZSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091335 780276487 /nfs/dbraw/zinc/27/64/87/780276487.db2.gz KOFKTVQABIVYCT-WOPDTQHZSA-N 2 2 300.403 -1.248 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091335 780276495 /nfs/dbraw/zinc/27/64/95/780276495.db2.gz KOFKTVQABIVYCT-WOPDTQHZSA-N 2 2 300.403 -1.248 20 0 DAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C(=O)OC)C1 ZINC001221188102 780281620 /nfs/dbraw/zinc/28/16/20/780281620.db2.gz OBPJLSVOEVDCBD-GARJFASQSA-N 2 2 315.370 -1.076 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001221257134 780285546 /nfs/dbraw/zinc/28/55/46/780285546.db2.gz YZUPAJVVMLFDEG-TUAOUCFPSA-N 2 2 310.354 -1.267 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001221256778 780285669 /nfs/dbraw/zinc/28/56/69/780285669.db2.gz LUBFAYQPQWRKKJ-GRYCIOLGSA-N 2 2 310.354 -1.409 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001221257036 780286351 /nfs/dbraw/zinc/28/63/51/780286351.db2.gz VTABCQFJXXFXIQ-DLOVCJGASA-N 2 2 309.370 -1.300 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H]2NCN[C@H]21 ZINC001221265190 780287805 /nfs/dbraw/zinc/28/78/05/780287805.db2.gz HUCWNGHKNLOGMN-FQUUOJAGSA-N 2 2 302.382 -1.780 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@@H]2NCN[C@@H]21 ZINC001221265194 780288904 /nfs/dbraw/zinc/28/89/04/780288904.db2.gz HUCWNGHKNLOGMN-SYQHCUMBSA-N 2 2 302.382 -1.780 20 0 DAADLP O=C(NCCN1CCCS1(=O)=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221335509 780290604 /nfs/dbraw/zinc/29/06/04/780290604.db2.gz HMYPXUUUSCRZET-PWSUYJOCSA-N 2 2 302.400 -1.910 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227798218 780343977 /nfs/dbraw/zinc/34/39/77/780343977.db2.gz UDSITNVDDTWGDN-CYBMUJFWSA-N 2 2 322.413 -1.121 20 0 DAADLP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368820 780380916 /nfs/dbraw/zinc/38/09/16/780380916.db2.gz OMPUDKGSNXUSMN-ZIAGYGMSSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368820 780380928 /nfs/dbraw/zinc/38/09/28/780380928.db2.gz OMPUDKGSNXUSMN-ZIAGYGMSSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231368820 780380938 /nfs/dbraw/zinc/38/09/38/780380938.db2.gz OMPUDKGSNXUSMN-ZIAGYGMSSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231368820 780380949 /nfs/dbraw/zinc/38/09/49/780380949.db2.gz OMPUDKGSNXUSMN-ZIAGYGMSSA-N 2 2 315.414 -1.141 20 0 DAADLP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CC(N4CC[NH2+]CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001236160628 780419860 /nfs/dbraw/zinc/41/98/60/780419860.db2.gz RVHJPPXUDYMIER-CRWXNKLISA-N 2 2 313.398 -1.187 20 0 DAADLP O=S(=O)(Nc1nccnc1N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001237494505 780429044 /nfs/dbraw/zinc/42/90/44/780429044.db2.gz RTGPVIOIPOLGDV-SNVBAGLBSA-N 2 2 312.399 -1.010 20 0 DAADLP CCOC(=O)C1(NS(=O)(=O)CC2CC[NH2+]CC2)C[NH2+]C1 ZINC001238786331 780439697 /nfs/dbraw/zinc/43/96/97/780439697.db2.gz VXEXYEGRQFUTPG-UHFFFAOYSA-N 2 2 305.400 -1.190 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NS(=O)(=O)CC[NH3+] ZINC001238886167 780439719 /nfs/dbraw/zinc/43/97/19/780439719.db2.gz XCCSUDXXHIETKM-JTQLQIEISA-N 2 2 304.372 -1.228 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239129804 780444035 /nfs/dbraw/zinc/44/40/35/780444035.db2.gz PXSBJGQCPWFTOB-GFCCVEGCSA-N 2 2 305.400 -1.108 20 0 DAADLP COC(=O)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246101477 780449228 /nfs/dbraw/zinc/44/92/28/780449228.db2.gz PUEIOJKXONGLQT-WDEREUQCSA-N 2 2 320.415 -2.286 20 0 DAADLP O=C([C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246173328 780451376 /nfs/dbraw/zinc/45/13/76/780451376.db2.gz LGXHKJUPXJTHHQ-NEPJUHHUSA-N 3 2 314.455 -1.046 20 0 DAADLP COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c(n2)C[NH2+]CCC3)CN1 ZINC001246132495 780451393 /nfs/dbraw/zinc/45/13/93/780451393.db2.gz LSRVUMICKSEYRJ-ZYHUDNBSSA-N 2 2 321.381 -1.270 20 0 DAADLP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CC[NH2+]C1 ZINC001246211983 780452071 /nfs/dbraw/zinc/45/20/71/780452071.db2.gz CERJHPDJLWIQDU-CQSZACIVSA-N 3 2 305.419 -1.037 20 0 DAADLP Cc1cn(CC(=O)NCC[NH2+][C@@H]2CCC[NH2+]C2)c(=O)[nH]c1=O ZINC001246306517 780452341 /nfs/dbraw/zinc/45/23/41/780452341.db2.gz WRKCWMCWZQAIMC-LLVKDONJSA-N 2 2 309.370 -1.285 20 0 DAADLP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CC[NH2+]C1 ZINC001246211965 780453328 /nfs/dbraw/zinc/45/33/28/780453328.db2.gz CERJHPDJLWIQDU-AWEZNQCLSA-N 3 2 305.419 -1.037 20 0 DAADLP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246491589 780454390 /nfs/dbraw/zinc/45/43/90/780454390.db2.gz UHSQVBJASOUIJV-NEPJUHHUSA-N 2 2 321.443 -1.106 20 0 DAADLP OCC(CO)(CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252944646 780474315 /nfs/dbraw/zinc/47/43/15/780474315.db2.gz SSUKUMZZMHYBET-MRXNPFEDSA-N 2 2 310.394 -1.071 20 0 DAADLP OCC(CO)(CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944646 780474322 /nfs/dbraw/zinc/47/43/22/780474322.db2.gz SSUKUMZZMHYBET-MRXNPFEDSA-N 2 2 310.394 -1.071 20 0 DAADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001255948583 780504971 /nfs/dbraw/zinc/50/49/71/780504971.db2.gz NVQKQZYPDAXRRU-FAYOZSNISA-N 2 2 306.403 -1.504 20 0 DAADLP CCC[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001258771257 780523776 /nfs/dbraw/zinc/52/37/76/780523776.db2.gz YVAOIAJOQSFLEJ-UHFFFAOYSA-N 2 2 313.402 -1.832 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1 ZINC001263155165 780576869 /nfs/dbraw/zinc/57/68/69/780576869.db2.gz NFTKTAPMZWYHTL-CQSZACIVSA-N 2 2 316.402 -1.571 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C(=O)[O-])C[NH2+]CCO1 ZINC001263155165 780576872 /nfs/dbraw/zinc/57/68/72/780576872.db2.gz NFTKTAPMZWYHTL-CQSZACIVSA-N 2 2 316.402 -1.571 20 0 DAADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CCN1C(=O)CNC1=O ZINC001265076118 780591431 /nfs/dbraw/zinc/59/14/31/780591431.db2.gz NTPBRNQIUBNECT-UHFFFAOYSA-N 2 2 322.369 -1.127 20 0 DAADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CCN1C(=O)CNC1=O ZINC001265076118 780591434 /nfs/dbraw/zinc/59/14/34/780591434.db2.gz NTPBRNQIUBNECT-UHFFFAOYSA-N 2 2 322.369 -1.127 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041223 780591921 /nfs/dbraw/zinc/59/19/21/780591921.db2.gz RFJFJDOHCFOCPY-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041223 780591930 /nfs/dbraw/zinc/59/19/30/780591930.db2.gz RFJFJDOHCFOCPY-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041222 780592281 /nfs/dbraw/zinc/59/22/81/780592281.db2.gz RFJFJDOHCFOCPY-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041222 780592287 /nfs/dbraw/zinc/59/22/87/780592287.db2.gz RFJFJDOHCFOCPY-SECBINFHSA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983897 780616080 /nfs/dbraw/zinc/61/60/80/780616080.db2.gz GITNKDVNWKXMMM-JTQLQIEISA-N 2 2 310.358 -1.095 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983897 780616084 /nfs/dbraw/zinc/61/60/84/780616084.db2.gz GITNKDVNWKXMMM-JTQLQIEISA-N 2 2 310.358 -1.095 20 0 DAADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN1C(=O)CNC1=O ZINC001266180344 780620235 /nfs/dbraw/zinc/62/02/35/780620235.db2.gz DUXIPUGUXZOVKH-JTQLQIEISA-N 2 2 322.369 -1.012 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+]Cc1cn(C)nn1 ZINC001279764183 780627106 /nfs/dbraw/zinc/62/71/06/780627106.db2.gz SEQHABCPOOLOJD-UHFFFAOYSA-N 2 2 321.385 -1.069 20 0 DAADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282192116 780702283 /nfs/dbraw/zinc/70/22/83/780702283.db2.gz KHQKXKYBHSDQFL-NXEZZACHSA-N 2 2 317.415 -1.016 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001284476372 780820037 /nfs/dbraw/zinc/82/00/37/780820037.db2.gz IFKYDAFGQGERIX-LBPRGKRZSA-N 2 2 324.385 -1.683 20 0 DAADLP CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001284877211 780842061 /nfs/dbraw/zinc/84/20/61/780842061.db2.gz YUCPXECXWWSXRN-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001284869828 780843006 /nfs/dbraw/zinc/84/30/06/780843006.db2.gz FYCRGEXVVPOVOV-GFCCVEGCSA-N 2 2 323.397 -1.005 20 0 DAADLP Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001090969970 781363965 /nfs/dbraw/zinc/36/39/65/781363965.db2.gz HQYFWZAKRDTWPJ-HTAVTVPLSA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001090969970 781363973 /nfs/dbraw/zinc/36/39/73/781363973.db2.gz HQYFWZAKRDTWPJ-HTAVTVPLSA-N 2 2 323.401 -1.475 20 0 DAADLP CN(CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(N)=[NH2+] ZINC001144129109 781365486 /nfs/dbraw/zinc/36/54/86/781365486.db2.gz VONAIYWHRTWPQI-UHFFFAOYSA-N 2 2 309.374 -1.021 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171238102 781389090 /nfs/dbraw/zinc/38/90/90/781389090.db2.gz LRYXAZUMNZJPMT-LLVKDONJSA-N 2 2 307.354 -1.136 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001171238535 781389361 /nfs/dbraw/zinc/38/93/61/781389361.db2.gz RZFXXGNGDONFMK-UHFFFAOYSA-N 2 2 307.358 -1.320 20 0 DAADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001144942983 781405251 /nfs/dbraw/zinc/40/52/51/781405251.db2.gz DKZQPCHZPUVBKK-RFQIPJPRSA-N 2 2 320.397 -1.916 20 0 DAADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001144942984 781405456 /nfs/dbraw/zinc/40/54/56/781405456.db2.gz DKZQPCHZPUVBKK-XDQVBPFNSA-N 2 2 320.397 -1.916 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244923 781405920 /nfs/dbraw/zinc/40/59/20/781405920.db2.gz VRFKVTOMKWWAAU-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001171244807 781405938 /nfs/dbraw/zinc/40/59/38/781405938.db2.gz SLVPQDFRJOVFQM-SECBINFHSA-N 2 2 310.358 -1.358 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565707 781415891 /nfs/dbraw/zinc/41/58/91/781415891.db2.gz VVZLBZKOMQONAK-JMSVASOKSA-N 2 2 310.398 -1.417 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565707 781415893 /nfs/dbraw/zinc/41/58/93/781415893.db2.gz VVZLBZKOMQONAK-JMSVASOKSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565707 781415894 /nfs/dbraw/zinc/41/58/94/781415894.db2.gz VVZLBZKOMQONAK-JMSVASOKSA-N 2 2 310.398 -1.417 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565707 781415897 /nfs/dbraw/zinc/41/58/97/781415897.db2.gz VVZLBZKOMQONAK-JMSVASOKSA-N 2 2 310.398 -1.417 20 0 DAADLP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001146756940 781419882 /nfs/dbraw/zinc/41/98/82/781419882.db2.gz NLFWLQJPMUNNND-VHSXEESVSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001146756942 781419995 /nfs/dbraw/zinc/41/99/95/781419995.db2.gz NLFWLQJPMUNNND-ZJUUUORDSA-N 2 2 310.358 -1.049 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001147871588 781458712 /nfs/dbraw/zinc/45/87/12/781458712.db2.gz CQWGVORWMIUSBQ-ZDUSSCGKSA-N 2 2 323.397 -1.348 20 0 DAADLP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147900032 781461176 /nfs/dbraw/zinc/46/11/76/781461176.db2.gz HNFKKPRBUNXCSR-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001147872070 781461279 /nfs/dbraw/zinc/46/12/79/781461279.db2.gz ZLVIVSNEXJXMAW-CYBMUJFWSA-N 2 2 323.397 -1.036 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871921 781461669 /nfs/dbraw/zinc/46/16/69/781461669.db2.gz RZPOSXKLOCIAFK-UHFFFAOYSA-N 2 2 310.358 -1.486 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001149571157 781486088 /nfs/dbraw/zinc/48/60/88/781486088.db2.gz QXTSPTXNOZEYJR-UHFFFAOYSA-N 2 2 317.415 -1.392 20 0 DAADLP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092101797 781489669 /nfs/dbraw/zinc/48/96/69/781489669.db2.gz OITUTNDJNOCYIW-CJNGLKHVSA-N 2 2 324.425 -1.026 20 0 DAADLP C[C@]12CN(C(=O)CC[NH+]3CCOCC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092101797 781489678 /nfs/dbraw/zinc/48/96/78/781489678.db2.gz OITUTNDJNOCYIW-CJNGLKHVSA-N 2 2 324.425 -1.026 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714508 781552670 /nfs/dbraw/zinc/55/26/70/781552670.db2.gz XVDHJPHAGYPVJS-AAEUAGOBSA-N 2 2 310.398 -1.526 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714508 781552676 /nfs/dbraw/zinc/55/26/76/781552676.db2.gz XVDHJPHAGYPVJS-AAEUAGOBSA-N 2 2 310.398 -1.526 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814629 781580324 /nfs/dbraw/zinc/58/03/24/781580324.db2.gz HEJJJGPFHSWYHV-VXGBXAGGSA-N 2 2 310.398 -1.668 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094814629 781580330 /nfs/dbraw/zinc/58/03/30/781580330.db2.gz HEJJJGPFHSWYHV-VXGBXAGGSA-N 2 2 310.398 -1.668 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094817798 781581696 /nfs/dbraw/zinc/58/16/96/781581696.db2.gz QPZWPTKAFUZEAU-LBPRGKRZSA-N 2 2 321.381 -1.415 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809930 781584396 /nfs/dbraw/zinc/58/43/96/781584396.db2.gz RDUKIRFUWLCUCT-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809930 781584409 /nfs/dbraw/zinc/58/44/09/781584409.db2.gz RDUKIRFUWLCUCT-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP O=C(N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001094806506 781584444 /nfs/dbraw/zinc/58/44/44/781584444.db2.gz QUDIWURVWUSTIE-LBPRGKRZSA-N 2 2 322.409 -1.524 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203337196 781587939 /nfs/dbraw/zinc/58/79/39/781587939.db2.gz FOGJQBOXXLHWAK-UHFFFAOYSA-N 2 2 322.369 -1.262 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175003854 781602630 /nfs/dbraw/zinc/60/26/30/781602630.db2.gz VTNMFNCBIYSQJO-UHFFFAOYSA-N 2 2 324.385 -1.096 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411297 781634491 /nfs/dbraw/zinc/63/44/91/781634491.db2.gz DFELYQHWRFFRPJ-UHFFFAOYSA-N 2 2 317.415 -1.082 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001177405559 781635045 /nfs/dbraw/zinc/63/50/45/781635045.db2.gz OTWFCXQJDGGGES-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178415020 781646237 /nfs/dbraw/zinc/64/62/37/781646237.db2.gz YNYPDYZYCHTCDB-RWMBFGLXSA-N 2 2 312.414 -1.016 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178415020 781646243 /nfs/dbraw/zinc/64/62/43/781646243.db2.gz YNYPDYZYCHTCDB-RWMBFGLXSA-N 2 2 312.414 -1.016 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001181821872 781694286 /nfs/dbraw/zinc/69/42/86/781694286.db2.gz JQTHCZRAHHLHGU-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001181821872 781694293 /nfs/dbraw/zinc/69/42/93/781694293.db2.gz JQTHCZRAHHLHGU-CHWSQXEVSA-N 2 2 310.398 -1.214 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182204742 781702476 /nfs/dbraw/zinc/70/24/76/781702476.db2.gz UYQQCAPHKFNXSW-SECBINFHSA-N 2 2 308.342 -1.272 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403104 781725481 /nfs/dbraw/zinc/72/54/81/781725481.db2.gz NKZBNURWWFLQOA-OPRDCNLKSA-N 2 2 320.353 -1.101 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185266838 781757174 /nfs/dbraw/zinc/75/71/74/781757174.db2.gz HNMCBFBMOAOSMY-OLZOCXBDSA-N 2 2 323.397 -1.134 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185266838 781757181 /nfs/dbraw/zinc/75/71/81/781757181.db2.gz HNMCBFBMOAOSMY-OLZOCXBDSA-N 2 2 323.397 -1.134 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185925014 781769823 /nfs/dbraw/zinc/76/98/23/781769823.db2.gz JVLRTALGQSNCMD-VHSXEESVSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185925012 781770441 /nfs/dbraw/zinc/77/04/41/781770441.db2.gz JVLRTALGQSNCMD-NXEZZACHSA-N 2 2 322.369 -1.013 20 0 DAADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)NC(N)=O ZINC001185924977 781771032 /nfs/dbraw/zinc/77/10/32/781771032.db2.gz IOVDOPWPCFJXTH-DTWKUNHWSA-N 2 2 308.342 -1.274 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575806 781780208 /nfs/dbraw/zinc/78/02/08/781780208.db2.gz DFRNASAKCCZASG-SNVBAGLBSA-N 2 2 322.369 -1.012 20 0 DAADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(=O)NC(N)=O ZINC001187092582 781795589 /nfs/dbraw/zinc/79/55/89/781795589.db2.gz XNWGTTWDOPVTSK-NXEZZACHSA-N 2 2 322.369 -1.264 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001376864545 921740039 /nfs/dbraw/zinc/74/00/39/921740039.db2.gz YXLKXOREASHVQF-MRVPVSSYSA-N 2 2 310.358 -1.189 20 0 DAADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001376923186 921750034 /nfs/dbraw/zinc/75/00/34/921750034.db2.gz SPWZSVBWDOEMIW-UWVGGRQHSA-N 2 2 308.342 -1.343 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC)C1 ZINC001377266865 921796760 /nfs/dbraw/zinc/79/67/60/921796760.db2.gz OTPRQYXGICPYPA-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC)C1 ZINC001377266865 921796778 /nfs/dbraw/zinc/79/67/78/921796778.db2.gz OTPRQYXGICPYPA-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC)C1 ZINC001377266865 921796786 /nfs/dbraw/zinc/79/67/86/921796786.db2.gz OTPRQYXGICPYPA-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001377266865 921796798 /nfs/dbraw/zinc/79/67/98/921796798.db2.gz OTPRQYXGICPYPA-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001377357397 921807878 /nfs/dbraw/zinc/80/78/78/921807878.db2.gz ZYPMKQVCYJDCTB-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364005 921809241 /nfs/dbraw/zinc/80/92/41/921809241.db2.gz FNWNAXOCXJXTAQ-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364005 921809255 /nfs/dbraw/zinc/80/92/55/921809255.db2.gz FNWNAXOCXJXTAQ-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364005 921809269 /nfs/dbraw/zinc/80/92/69/921809269.db2.gz FNWNAXOCXJXTAQ-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364005 921809303 /nfs/dbraw/zinc/80/93/03/921809303.db2.gz FNWNAXOCXJXTAQ-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149129425 916144758 /nfs/dbraw/zinc/14/47/58/916144758.db2.gz BUFOHKNRUSXSRY-UHFFFAOYSA-N 2 2 317.415 -1.094 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001174690627 916150138 /nfs/dbraw/zinc/15/01/38/916150138.db2.gz FBMRCFWLZVEDFZ-SECBINFHSA-N 2 2 310.358 -1.060 20 0 DAADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCN1C(=O)CNC1=O ZINC001317252587 916277519 /nfs/dbraw/zinc/27/75/19/916277519.db2.gz GIYAPBFKUPCUPR-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN1C(=O)CNC1=O ZINC001317290449 916286561 /nfs/dbraw/zinc/28/65/61/916286561.db2.gz RZFGELGKOGIXOW-SNVBAGLBSA-N 2 2 308.342 -1.471 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001317468877 916303867 /nfs/dbraw/zinc/30/38/67/916303867.db2.gz HQAWUZVRNYBAOU-UHFFFAOYSA-N 2 2 322.369 -1.140 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001317468877 916303888 /nfs/dbraw/zinc/30/38/88/916303888.db2.gz HQAWUZVRNYBAOU-UHFFFAOYSA-N 2 2 322.369 -1.140 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320227793 916480107 /nfs/dbraw/zinc/48/01/07/916480107.db2.gz UYPHJMPCPOYILJ-WDEREUQCSA-N 2 2 323.353 -1.786 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320227793 916480116 /nfs/dbraw/zinc/48/01/16/916480116.db2.gz UYPHJMPCPOYILJ-WDEREUQCSA-N 2 2 323.353 -1.786 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320227788 916480625 /nfs/dbraw/zinc/48/06/25/916480625.db2.gz UYPHJMPCPOYILJ-MNOVXSKESA-N 2 2 323.353 -1.786 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320227788 916480636 /nfs/dbraw/zinc/48/06/36/916480636.db2.gz UYPHJMPCPOYILJ-MNOVXSKESA-N 2 2 323.353 -1.786 20 0 DAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320227785 916481104 /nfs/dbraw/zinc/48/11/04/916481104.db2.gz UYPHJMPCPOYILJ-GHMZBOCLSA-N 2 2 323.353 -1.786 20 0 DAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320227785 916481112 /nfs/dbraw/zinc/48/11/12/916481112.db2.gz UYPHJMPCPOYILJ-GHMZBOCLSA-N 2 2 323.353 -1.786 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320299984 916500644 /nfs/dbraw/zinc/50/06/44/916500644.db2.gz PQGQHEPFWZSJGF-ZJUUUORDSA-N 2 2 323.353 -1.867 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320299980 916502093 /nfs/dbraw/zinc/50/20/93/916502093.db2.gz PQGQHEPFWZSJGF-UWVGGRQHSA-N 2 2 323.353 -1.867 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320299981 916502194 /nfs/dbraw/zinc/50/21/94/916502194.db2.gz PQGQHEPFWZSJGF-VHSXEESVSA-N 2 2 323.353 -1.867 20 0 DAADLP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320703680 916523636 /nfs/dbraw/zinc/52/36/36/916523636.db2.gz RUZOHYRKQMTBTC-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001323299088 916711700 /nfs/dbraw/zinc/71/17/00/916711700.db2.gz SAXRRISQJNWZKH-STQMWFEESA-N 2 2 322.413 -1.250 20 0 DAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323299088 916711716 /nfs/dbraw/zinc/71/17/16/916711716.db2.gz SAXRRISQJNWZKH-STQMWFEESA-N 2 2 322.413 -1.250 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001323579244 916731822 /nfs/dbraw/zinc/73/18/22/916731822.db2.gz GECBGPZUCPSGFM-VIFPVBQESA-N 2 2 305.338 -1.004 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+]Cc1nncn1C ZINC001326148573 916902002 /nfs/dbraw/zinc/90/20/02/916902002.db2.gz OTVOAWCOMHJSSJ-UHFFFAOYSA-N 2 2 321.385 -1.069 20 0 DAADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001326158032 916906068 /nfs/dbraw/zinc/90/60/68/916906068.db2.gz DOQUYULLSYQGMI-NSHDSACASA-N 2 2 323.353 -1.901 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001326275008 916910517 /nfs/dbraw/zinc/91/05/17/916910517.db2.gz GIEZBMWJUFKAIM-LBPRGKRZSA-N 2 2 324.385 -1.006 20 0 DAADLP CCN1C(=O)[C@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC001326278659 916914845 /nfs/dbraw/zinc/91/48/45/916914845.db2.gz ZPGIDKKQDHPFGH-LLVKDONJSA-N 2 2 309.370 -1.614 20 0 DAADLP CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC001326278659 916914855 /nfs/dbraw/zinc/91/48/55/916914855.db2.gz ZPGIDKKQDHPFGH-LLVKDONJSA-N 2 2 309.370 -1.614 20 0 DAADLP Cn1nncc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001329608600 917182448 /nfs/dbraw/zinc/18/24/48/917182448.db2.gz KTFLAAVPOMKCSI-UHFFFAOYSA-N 2 2 311.390 -1.247 20 0 DAADLP Cn1nncc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001329608600 917182454 /nfs/dbraw/zinc/18/24/54/917182454.db2.gz KTFLAAVPOMKCSI-UHFFFAOYSA-N 2 2 311.390 -1.247 20 0 DAADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCNS(C)(=O)=O ZINC001331566532 917299901 /nfs/dbraw/zinc/29/99/01/917299901.db2.gz VNIKZSBDEXDEGL-JTQLQIEISA-N 2 2 317.415 -1.062 20 0 DAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001331572259 917301211 /nfs/dbraw/zinc/30/12/11/917301211.db2.gz JZFGGJLYQKFBHW-UHFFFAOYSA-N 2 2 311.386 -1.227 20 0 DAADLP CN1CC[NH+](CCn2cc(CCN3CC[NH2+]CC3)nn2)CC1 ZINC001331856160 917346557 /nfs/dbraw/zinc/34/65/57/917346557.db2.gz BZIGFXDCJRRLIH-UHFFFAOYSA-N 2 2 307.446 -1.027 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001332616598 917393284 /nfs/dbraw/zinc/39/32/84/917393284.db2.gz NFNMMQGKHCMMCR-LBPRGKRZSA-N 2 2 307.358 -1.416 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)Cn1cc[nH+]c1 ZINC001332615357 917394188 /nfs/dbraw/zinc/39/41/88/917394188.db2.gz AFYVYNCJDRAISW-WDEREUQCSA-N 2 2 323.353 -1.903 20 0 DAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)Cn1cc[nH+]c1 ZINC001332615355 917395695 /nfs/dbraw/zinc/39/56/95/917395695.db2.gz AFYVYNCJDRAISW-QWRGUYRKSA-N 2 2 323.353 -1.903 20 0 DAADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001333023234 917420514 /nfs/dbraw/zinc/42/05/14/917420514.db2.gz RLRDXDLTSPTDDH-OAHLLOKOSA-N 2 2 323.397 -1.129 20 0 DAADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001333023234 917420523 /nfs/dbraw/zinc/42/05/23/917420523.db2.gz RLRDXDLTSPTDDH-OAHLLOKOSA-N 2 2 323.397 -1.129 20 0 DAADLP COC[C@]1(C(=O)NCCCN2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC001333336912 917433287 /nfs/dbraw/zinc/43/32/87/917433287.db2.gz QUXORYLIVBBJEG-HNNXBMFYSA-N 2 2 314.430 -1.255 20 0 DAADLP COC[C@]1(C(=O)NCCC[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC001333336912 917433306 /nfs/dbraw/zinc/43/33/06/917433306.db2.gz QUXORYLIVBBJEG-HNNXBMFYSA-N 2 2 314.430 -1.255 20 0 DAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)n1C ZINC001335216943 917533727 /nfs/dbraw/zinc/53/37/27/917533727.db2.gz NHJYMYLATYWWGQ-SNVBAGLBSA-N 2 2 324.385 -1.793 20 0 DAADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001364578649 919037203 /nfs/dbraw/zinc/03/72/03/919037203.db2.gz KLIJITMFTBDZGN-UHFFFAOYSA-N 2 2 309.418 -1.121 20 0 DAADLP COCC[N@@H+]1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364818938 919073971 /nfs/dbraw/zinc/07/39/71/919073971.db2.gz DQKFVZDODDYVCW-LBPRGKRZSA-N 2 2 306.432 -1.211 20 0 DAADLP COCC[N@H+]1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364818938 919073982 /nfs/dbraw/zinc/07/39/82/919073982.db2.gz DQKFVZDODDYVCW-LBPRGKRZSA-N 2 2 306.432 -1.211 20 0 DAADLP CCC[N@H+](C)CC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001365964470 919253606 /nfs/dbraw/zinc/25/36/06/919253606.db2.gz VWKRGTMVKBUIAJ-ZDUSSCGKSA-N 2 2 313.446 -1.064 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001365964470 919253622 /nfs/dbraw/zinc/25/36/22/919253622.db2.gz VWKRGTMVKBUIAJ-ZDUSSCGKSA-N 2 2 313.446 -1.064 20 0 DAADLP CCC[N@H+](C)CC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001365964469 919256527 /nfs/dbraw/zinc/25/65/27/919256527.db2.gz VWKRGTMVKBUIAJ-CYBMUJFWSA-N 2 2 313.446 -1.064 20 0 DAADLP CCC[N@@H+](C)CC(=O)NCCN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001365964469 919256545 /nfs/dbraw/zinc/25/65/45/919256545.db2.gz VWKRGTMVKBUIAJ-CYBMUJFWSA-N 2 2 313.446 -1.064 20 0 DAADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971987 919260110 /nfs/dbraw/zinc/26/01/10/919260110.db2.gz CZXVPNNVWCKODH-JTQLQIEISA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971987 919260122 /nfs/dbraw/zinc/26/01/22/919260122.db2.gz CZXVPNNVWCKODH-JTQLQIEISA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971987 919260139 /nfs/dbraw/zinc/26/01/39/919260139.db2.gz CZXVPNNVWCKODH-JTQLQIEISA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971987 919260157 /nfs/dbraw/zinc/26/01/57/919260157.db2.gz CZXVPNNVWCKODH-JTQLQIEISA-N 2 2 311.386 -1.144 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001366103808 919279461 /nfs/dbraw/zinc/27/94/61/919279461.db2.gz JVLRTALGQSNCMD-UWVGGRQHSA-N 2 2 322.369 -1.013 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001366387290 919324431 /nfs/dbraw/zinc/32/44/31/919324431.db2.gz IHSBWWSQAJTRIC-JTQLQIEISA-N 2 2 322.369 -1.093 20 0 DAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)nc1=O ZINC001366583385 919351526 /nfs/dbraw/zinc/35/15/26/919351526.db2.gz HVRWSDYCNUXBHF-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)nc1=O ZINC001366583385 919351543 /nfs/dbraw/zinc/35/15/43/919351543.db2.gz HVRWSDYCNUXBHF-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001366583385 919351561 /nfs/dbraw/zinc/35/15/61/919351561.db2.gz HVRWSDYCNUXBHF-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001366583385 919351576 /nfs/dbraw/zinc/35/15/76/919351576.db2.gz HVRWSDYCNUXBHF-NSHDSACASA-N 2 2 310.402 -1.002 20 0 DAADLP CC[C@@H](C(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001366984193 919413535 /nfs/dbraw/zinc/41/35/35/919413535.db2.gz ZMPOGXXKJGORRC-LBPRGKRZSA-N 2 2 320.459 -1.076 20 0 DAADLP CC(C)[C@H](C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366981269 919415277 /nfs/dbraw/zinc/41/52/77/919415277.db2.gz ZIASAIOEUVHNJW-GFCCVEGCSA-N 2 2 313.402 -1.185 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001367287061 919448899 /nfs/dbraw/zinc/44/88/99/919448899.db2.gz JVGSQUZOKYTBRH-UWVGGRQHSA-N 2 2 310.358 -1.192 20 0 DAADLP CN(CC[N@H+](C)CCn1cncn1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001367509009 919469947 /nfs/dbraw/zinc/46/99/47/919469947.db2.gz QMTPBPSNZZYVAY-CYBMUJFWSA-N 2 2 310.402 -1.001 20 0 DAADLP CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001367509009 919469955 /nfs/dbraw/zinc/46/99/55/919469955.db2.gz QMTPBPSNZZYVAY-CYBMUJFWSA-N 2 2 310.402 -1.001 20 0 DAADLP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367509009 919469963 /nfs/dbraw/zinc/46/99/63/919469963.db2.gz QMTPBPSNZZYVAY-CYBMUJFWSA-N 2 2 310.402 -1.001 20 0 DAADLP CN(CC[NH+](C)CCn1cncn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367509009 919469969 /nfs/dbraw/zinc/46/99/69/919469969.db2.gz QMTPBPSNZZYVAY-CYBMUJFWSA-N 2 2 310.402 -1.001 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001367618481 919531823 /nfs/dbraw/zinc/53/18/23/919531823.db2.gz DSVIEVDDMRXLDA-NSHDSACASA-N 2 2 311.386 -1.194 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001367624807 919541341 /nfs/dbraw/zinc/54/13/41/919541341.db2.gz NEKDTXTUWYJDFW-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001367629783 919543785 /nfs/dbraw/zinc/54/37/85/919543785.db2.gz YLQGMGLSUBAGAO-LLVKDONJSA-N 2 2 307.358 -1.413 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367703797 919558088 /nfs/dbraw/zinc/55/80/88/919558088.db2.gz LWGYJBZBBULXHZ-BDAKNGLRSA-N 2 2 310.358 -1.109 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367730149 919562853 /nfs/dbraw/zinc/56/28/53/919562853.db2.gz RIQBPQOPNVBJMO-NWDGAFQWSA-N 2 2 300.403 -1.064 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367730149 919562868 /nfs/dbraw/zinc/56/28/68/919562868.db2.gz RIQBPQOPNVBJMO-NWDGAFQWSA-N 2 2 300.403 -1.064 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001368252948 919640978 /nfs/dbraw/zinc/64/09/78/919640978.db2.gz FFDWFEZNESAQBY-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001368252948 919640986 /nfs/dbraw/zinc/64/09/86/919640986.db2.gz FFDWFEZNESAQBY-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368252948 919640994 /nfs/dbraw/zinc/64/09/94/919640994.db2.gz FFDWFEZNESAQBY-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368252948 919640999 /nfs/dbraw/zinc/64/09/99/919640999.db2.gz FFDWFEZNESAQBY-HIFRSBDPSA-N 2 2 322.413 -1.038 20 0 DAADLP CN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001368276522 919660102 /nfs/dbraw/zinc/66/01/02/919660102.db2.gz OJASQMZINHJKHF-DOMZBBRYSA-N 2 2 321.381 -1.333 20 0 DAADLP CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001368276522 919660113 /nfs/dbraw/zinc/66/01/13/919660113.db2.gz OJASQMZINHJKHF-DOMZBBRYSA-N 2 2 321.381 -1.333 20 0 DAADLP O=C(C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)NC1CC1 ZINC001368516801 919736055 /nfs/dbraw/zinc/73/60/55/919736055.db2.gz QJKPZJJIWSKAOY-ZDUSSCGKSA-N 2 2 321.381 -1.021 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368608236 919748883 /nfs/dbraw/zinc/74/88/83/919748883.db2.gz NQOQMEFCNHVFHJ-XYPYZODXSA-N 2 2 322.369 -1.177 20 0 DAADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001368658836 919757212 /nfs/dbraw/zinc/75/72/12/919757212.db2.gz OARUEWLTFOBDKY-VHSXEESVSA-N 2 2 308.342 -1.486 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001368683723 919762554 /nfs/dbraw/zinc/76/25/54/919762554.db2.gz DZKOKPVISVPFSY-SNVBAGLBSA-N 2 2 322.369 -1.533 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001368683723 919762568 /nfs/dbraw/zinc/76/25/68/919762568.db2.gz DZKOKPVISVPFSY-SNVBAGLBSA-N 2 2 322.369 -1.533 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001368767097 919769208 /nfs/dbraw/zinc/76/92/08/919769208.db2.gz YAHBWEIAGYKLIS-OLZOCXBDSA-N 2 2 324.425 -1.088 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001368767097 919769216 /nfs/dbraw/zinc/76/92/16/919769216.db2.gz YAHBWEIAGYKLIS-OLZOCXBDSA-N 2 2 324.425 -1.088 20 0 DAADLP CC(C)[N@H+](C)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001368781521 919773799 /nfs/dbraw/zinc/77/37/99/919773799.db2.gz WEAXYBKTAKQKFS-UHFFFAOYSA-N 2 2 300.403 -1.245 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001368781521 919773813 /nfs/dbraw/zinc/77/38/13/919773813.db2.gz WEAXYBKTAKQKFS-UHFFFAOYSA-N 2 2 300.403 -1.245 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001369036692 919809085 /nfs/dbraw/zinc/80/90/85/919809085.db2.gz VZEYZXJGJQNHSR-ZDUSSCGKSA-N 2 2 315.414 -1.358 20 0 DAADLP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001369144998 919820680 /nfs/dbraw/zinc/82/06/80/919820680.db2.gz FXSQQENJHBUZIV-GXSJLCMTSA-N 2 2 313.402 -1.042 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323767 919856362 /nfs/dbraw/zinc/85/63/62/919856362.db2.gz VEVMRPVJBNXVRK-OLZOCXBDSA-N 2 2 312.414 -1.327 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323767 919856368 /nfs/dbraw/zinc/85/63/68/919856368.db2.gz VEVMRPVJBNXVRK-OLZOCXBDSA-N 2 2 312.414 -1.327 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323770 919856825 /nfs/dbraw/zinc/85/68/25/919856825.db2.gz VEVMRPVJBNXVRK-QWHCGFSZSA-N 2 2 312.414 -1.327 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001369323770 919856837 /nfs/dbraw/zinc/85/68/37/919856837.db2.gz VEVMRPVJBNXVRK-QWHCGFSZSA-N 2 2 312.414 -1.327 20 0 DAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369325576 919859616 /nfs/dbraw/zinc/85/96/16/919859616.db2.gz PYJJMWXEVZVXSR-RYUDHWBXSA-N 2 2 323.401 -1.881 20 0 DAADLP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001369339194 919874079 /nfs/dbraw/zinc/87/40/79/919874079.db2.gz NTAKNKLODZRWHX-AAEUAGOBSA-N 2 2 312.418 -1.032 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001369358399 919894642 /nfs/dbraw/zinc/89/46/42/919894642.db2.gz IPEMODBHIDOBPP-GFCCVEGCSA-N 2 2 309.370 -1.359 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369357281 919895428 /nfs/dbraw/zinc/89/54/28/919895428.db2.gz AHVJCMYFFLULBX-WCQYABFASA-N 2 2 323.397 -1.065 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369357280 919895626 /nfs/dbraw/zinc/89/56/26/919895626.db2.gz AHVJCMYFFLULBX-DGCLKSJQSA-N 2 2 323.397 -1.065 20 0 DAADLP CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001369371034 919906760 /nfs/dbraw/zinc/90/67/60/919906760.db2.gz FODQWSOYDMLLRV-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)C1 ZINC001369378842 919914823 /nfs/dbraw/zinc/91/48/23/919914823.db2.gz 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2 2 312.370 -1.488 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376075469 920843872 /nfs/dbraw/zinc/84/38/72/920843872.db2.gz COOJQXHFIUILCD-GXTWGEPZSA-N 2 2 312.370 -1.488 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376092017 920850594 /nfs/dbraw/zinc/85/05/94/920850594.db2.gz IDRXUTDJSKZXHF-HNNXBMFYSA-N 2 2 323.397 -1.167 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376092017 920850612 /nfs/dbraw/zinc/85/06/12/920850612.db2.gz IDRXUTDJSKZXHF-HNNXBMFYSA-N 2 2 323.397 -1.167 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376171615 920883981 /nfs/dbraw/zinc/88/39/81/920883981.db2.gz XPRKRPQVAVUOFT-JHJVBQTASA-N 2 2 315.414 -1.503 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376171615 920883997 /nfs/dbraw/zinc/88/39/97/920883997.db2.gz XPRKRPQVAVUOFT-JHJVBQTASA-N 2 2 315.414 -1.503 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001376275983 920907962 /nfs/dbraw/zinc/90/79/62/920907962.db2.gz VWRLPMMALQZIBK-LLVKDONJSA-N 2 2 322.369 -1.177 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001376279190 920913572 /nfs/dbraw/zinc/91/35/72/920913572.db2.gz UEQMWHSRRXPNKT-QWHCGFSZSA-N 2 2 315.414 -1.502 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376279190 920913585 /nfs/dbraw/zinc/91/35/85/920913585.db2.gz UEQMWHSRRXPNKT-QWHCGFSZSA-N 2 2 315.414 -1.502 20 0 DAADLP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376339275 920922204 /nfs/dbraw/zinc/92/22/04/920922204.db2.gz GKCBBELSCIDQRR-ZJUUUORDSA-N 2 2 322.369 -1.026 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001376324656 920923065 /nfs/dbraw/zinc/92/30/65/920923065.db2.gz NKZBNURWWFLQOA-IVZWLZJFSA-N 2 2 320.353 -1.101 20 0 DAADLP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376339264 920923499 /nfs/dbraw/zinc/92/34/99/920923499.db2.gz GKCBBELSCIDQRR-NXEZZACHSA-N 2 2 322.369 -1.026 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001376497594 920957792 /nfs/dbraw/zinc/95/77/92/920957792.db2.gz JECDMKPDHSDNJZ-IUODEOHRSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001376497594 920957809 /nfs/dbraw/zinc/95/78/09/920957809.db2.gz JECDMKPDHSDNJZ-IUODEOHRSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376497594 920957817 /nfs/dbraw/zinc/95/78/17/920957817.db2.gz JECDMKPDHSDNJZ-IUODEOHRSA-N 2 2 312.414 -1.373 20 0 DAADLP CNC(=O)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376497594 920957831 /nfs/dbraw/zinc/95/78/31/920957831.db2.gz JECDMKPDHSDNJZ-IUODEOHRSA-N 2 2 312.414 -1.373 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001376633375 920997422 /nfs/dbraw/zinc/99/74/22/920997422.db2.gz YFZZAJZNZQVPJQ-ZDUSSCGKSA-N 2 2 323.397 -1.348 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666479 921013032 /nfs/dbraw/zinc/01/30/32/921013032.db2.gz YPTUPSDCCKAZPX-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001376666479 921013043 /nfs/dbraw/zinc/01/30/43/921013043.db2.gz YPTUPSDCCKAZPX-CHWSQXEVSA-N 2 2 323.397 -1.039 20 0 DAADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001376781070 921030241 /nfs/dbraw/zinc/03/02/41/921030241.db2.gz XCZOGLKNMLTZLE-ZJUUUORDSA-N 2 2 310.358 -1.049 20 0 DAADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001376780785 921031861 /nfs/dbraw/zinc/03/18/61/921031861.db2.gz XCZOGLKNMLTZLE-UWVGGRQHSA-N 2 2 310.358 -1.049 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364004 921810629 /nfs/dbraw/zinc/81/06/29/921810629.db2.gz FNWNAXOCXJXTAQ-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364004 921810646 /nfs/dbraw/zinc/81/06/46/921810646.db2.gz FNWNAXOCXJXTAQ-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364004 921810661 /nfs/dbraw/zinc/81/06/61/921810661.db2.gz FNWNAXOCXJXTAQ-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364004 921810671 /nfs/dbraw/zinc/81/06/71/921810671.db2.gz FNWNAXOCXJXTAQ-LLVKDONJSA-N 2 2 310.402 -1.002 20 0 DAADLP COCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001377548416 921836018 /nfs/dbraw/zinc/83/60/18/921836018.db2.gz DSNRFIZKVQUXEG-CYBMUJFWSA-N 2 2 315.414 -1.094 20 0 DAADLP COCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001377548416 921836032 /nfs/dbraw/zinc/83/60/32/921836032.db2.gz DSNRFIZKVQUXEG-CYBMUJFWSA-N 2 2 315.414 -1.094 20 0 DAADLP NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001377969340 921889888 /nfs/dbraw/zinc/88/98/88/921889888.db2.gz IUOXDPUYMIEVET-LBPRGKRZSA-N 2 2 323.397 -1.429 20 0 DAADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378334415 921953362 /nfs/dbraw/zinc/95/33/62/921953362.db2.gz BBOUXOGFXHSGNL-SNVBAGLBSA-N 2 2 307.358 -1.011 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378493575 921967393 /nfs/dbraw/zinc/96/73/93/921967393.db2.gz HUCZVDNQIXUNGG-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378493575 921967408 /nfs/dbraw/zinc/96/74/08/921967408.db2.gz HUCZVDNQIXUNGG-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001379222442 922083490 /nfs/dbraw/zinc/08/34/90/922083490.db2.gz OYCDAOZSIHKIOH-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001379226303 922086583 /nfs/dbraw/zinc/08/65/83/922086583.db2.gz FQQZUTIVKAHRLU-QWRGUYRKSA-N 2 2 311.386 -1.446 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001379240704 922092907 /nfs/dbraw/zinc/09/29/07/922092907.db2.gz ZLYKXNSACDFNJQ-NSHDSACASA-N 2 2 311.386 -1.492 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379240010 922094397 /nfs/dbraw/zinc/09/43/97/922094397.db2.gz XMKHXZSYQXZKNJ-NWDGAFQWSA-N 2 2 323.397 -1.302 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001379262348 922104683 /nfs/dbraw/zinc/10/46/83/922104683.db2.gz XKKFUIFHHQPRKM-GFCCVEGCSA-N 2 2 311.386 -1.446 20 0 DAADLP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001379262350 922105674 /nfs/dbraw/zinc/10/56/74/922105674.db2.gz XKKFUIFHHQPRKM-LBPRGKRZSA-N 2 2 311.386 -1.446 20 0 DAADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001379275965 922112487 /nfs/dbraw/zinc/11/24/87/922112487.db2.gz KSACOGDKPVRWMB-UWVGGRQHSA-N 2 2 324.385 -1.018 20 0 DAADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001379275974 922113579 /nfs/dbraw/zinc/11/35/79/922113579.db2.gz KSACOGDKPVRWMB-VHSXEESVSA-N 2 2 324.385 -1.018 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379288026 922114742 /nfs/dbraw/zinc/11/47/42/922114742.db2.gz NCZJQHYSWSWZGW-JTQLQIEISA-N 2 2 323.357 -2.120 20 0 DAADLP CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001379293014 922120178 /nfs/dbraw/zinc/12/01/78/922120178.db2.gz OZBVNXDLWOWVMN-LBPRGKRZSA-N 2 2 307.358 -1.239 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379374726 922142231 /nfs/dbraw/zinc/14/22/31/922142231.db2.gz OLLQFCVAUOFEOI-GHMZBOCLSA-N 2 2 302.375 -2.480 20 0 DAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379374726 922142243 /nfs/dbraw/zinc/14/22/43/922142243.db2.gz OLLQFCVAUOFEOI-GHMZBOCLSA-N 2 2 302.375 -2.480 20 0 DAADLP CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001379376430 922143686 /nfs/dbraw/zinc/14/36/86/922143686.db2.gz XKMDFYJFSJWRIW-AAEUAGOBSA-N 2 2 312.414 -1.232 20 0 DAADLP CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001379376430 922143692 /nfs/dbraw/zinc/14/36/92/922143692.db2.gz XKMDFYJFSJWRIW-AAEUAGOBSA-N 2 2 312.414 -1.232 20 0 DAADLP Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379375940 922144102 /nfs/dbraw/zinc/14/41/02/922144102.db2.gz RZGZQQWJXGSJIA-GXTWGEPZSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379375940 922144109 /nfs/dbraw/zinc/14/41/09/922144109.db2.gz RZGZQQWJXGSJIA-GXTWGEPZSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001379378203 922144620 /nfs/dbraw/zinc/14/46/20/922144620.db2.gz YZGKDFFUULZGRR-KBPBESRZSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001379378203 922144630 /nfs/dbraw/zinc/14/46/30/922144630.db2.gz YZGKDFFUULZGRR-KBPBESRZSA-N 2 2 323.397 -1.318 20 0 DAADLP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001379481572 922196970 /nfs/dbraw/zinc/19/69/70/922196970.db2.gz MVXRZILUUDGMFR-SNVBAGLBSA-N 2 2 322.369 -1.034 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001379500201 922203741 /nfs/dbraw/zinc/20/37/41/922203741.db2.gz FWOHYIXGJZABDJ-CHWSQXEVSA-N 2 2 312.418 -1.032 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001379507839 922209245 /nfs/dbraw/zinc/20/92/45/922209245.db2.gz DERUPTBQMCFPQO-NSHDSACASA-N 2 2 324.385 -1.647 20 0 DAADLP C[NH+](C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)c1ccccc1 ZINC001379523363 922213431 /nfs/dbraw/zinc/21/34/31/922213431.db2.gz BNJJWDKNBRNROQ-OCCSQVGLSA-N 2 2 308.382 -1.159 20 0 DAADLP C[NH+](C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)c1ccccc1 ZINC001379523361 922213526 /nfs/dbraw/zinc/21/35/26/922213526.db2.gz BNJJWDKNBRNROQ-GXTWGEPZSA-N 2 2 308.382 -1.159 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCCN(C)C1=O ZINC001379517648 922214605 /nfs/dbraw/zinc/21/46/05/922214605.db2.gz XGIXIFULKZDJPN-NEPJUHHUSA-N 2 2 323.397 -1.052 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC001379525558 922216828 /nfs/dbraw/zinc/21/68/28/922216828.db2.gz IZKSAHNFDFXDDH-LLVKDONJSA-N 2 2 318.399 -1.697 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001379532124 922221944 /nfs/dbraw/zinc/22/19/44/922221944.db2.gz YCJSBIMKCFSBRE-GFCCVEGCSA-N 2 2 323.397 -1.121 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001379793785 922263636 /nfs/dbraw/zinc/26/36/36/922263636.db2.gz UQZRVFVJCJQTLZ-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001379793785 922263651 /nfs/dbraw/zinc/26/36/51/922263651.db2.gz UQZRVFVJCJQTLZ-NEPJUHHUSA-N 2 2 300.403 -1.124 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCn1cc[nH+]c1 ZINC001379823901 922273804 /nfs/dbraw/zinc/27/38/04/922273804.db2.gz NWXLUQSSKXPXHA-CYBMUJFWSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001379846749 922280735 /nfs/dbraw/zinc/28/07/35/922280735.db2.gz XSEGTTNYYUQECZ-GFCCVEGCSA-N 2 2 309.370 -1.407 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379887451 922287005 /nfs/dbraw/zinc/28/70/05/922287005.db2.gz ZMXZAIYDLOEMHH-MNOVXSKESA-N 2 2 309.370 -1.442 20 0 DAADLP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001379973689 922307998 /nfs/dbraw/zinc/30/79/98/922307998.db2.gz UHZXTEFYDSLOCV-GFCCVEGCSA-N 2 2 316.402 -2.055 20 0 DAADLP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001379973689 922308016 /nfs/dbraw/zinc/30/80/16/922308016.db2.gz UHZXTEFYDSLOCV-GFCCVEGCSA-N 2 2 316.402 -2.055 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001379985604 922314278 /nfs/dbraw/zinc/31/42/78/922314278.db2.gz XEVQSEJPGLWZBQ-QWHCGFSZSA-N 2 2 323.397 -1.398 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001379985604 922314292 /nfs/dbraw/zinc/31/42/92/922314292.db2.gz XEVQSEJPGLWZBQ-QWHCGFSZSA-N 2 2 323.397 -1.398 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001380577385 922399037 /nfs/dbraw/zinc/39/90/37/922399037.db2.gz JLLXWUJNRSMLIH-CHWSQXEVSA-N 2 2 313.398 -1.484 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001380577385 922399059 /nfs/dbraw/zinc/39/90/59/922399059.db2.gz JLLXWUJNRSMLIH-CHWSQXEVSA-N 2 2 313.398 -1.484 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001380577389 922399364 /nfs/dbraw/zinc/39/93/64/922399364.db2.gz JLLXWUJNRSMLIH-OLZOCXBDSA-N 2 2 313.398 -1.484 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001380577389 922399380 /nfs/dbraw/zinc/39/93/80/922399380.db2.gz JLLXWUJNRSMLIH-OLZOCXBDSA-N 2 2 313.398 -1.484 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001380632487 922427848 /nfs/dbraw/zinc/42/78/48/922427848.db2.gz BVOFZDOYYHGNHH-QWHCGFSZSA-N 2 2 317.430 -1.257 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001380644966 922432234 /nfs/dbraw/zinc/43/22/34/922432234.db2.gz UJRNSROVMSBQSU-GFCCVEGCSA-N 2 2 303.403 -1.503 20 0 DAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001380644966 922432241 /nfs/dbraw/zinc/43/22/41/922432241.db2.gz UJRNSROVMSBQSU-GFCCVEGCSA-N 2 2 303.403 -1.503 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001380736483 922442984 /nfs/dbraw/zinc/44/29/84/922442984.db2.gz XJXHHHNOBJJCHF-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCCO)C2)C1 ZINC001380736483 922442992 /nfs/dbraw/zinc/44/29/92/922442992.db2.gz XJXHHHNOBJJCHF-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCCO)C2)C1 ZINC001380736483 922443004 /nfs/dbraw/zinc/44/30/04/922443004.db2.gz XJXHHHNOBJJCHF-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001380736483 922443010 /nfs/dbraw/zinc/44/30/10/922443010.db2.gz XJXHHHNOBJJCHF-HIFRSBDPSA-N 2 2 315.414 -1.358 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001380733761 922444281 /nfs/dbraw/zinc/44/42/81/922444281.db2.gz ISWSMASNJKYFPM-OAHLLOKOSA-N 2 2 323.397 -1.119 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001380733761 922444289 /nfs/dbraw/zinc/44/42/89/922444289.db2.gz ISWSMASNJKYFPM-OAHLLOKOSA-N 2 2 323.397 -1.119 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001381053416 922493004 /nfs/dbraw/zinc/49/30/04/922493004.db2.gz HFJFIHNRSVHJBS-AWEZNQCLSA-N 2 2 309.370 -1.311 20 0 DAADLP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001381042496 922494335 /nfs/dbraw/zinc/49/43/35/922494335.db2.gz ILNQABYTICNJHS-HNNXBMFYSA-N 2 2 323.397 -1.348 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001381116288 922501332 /nfs/dbraw/zinc/50/13/32/922501332.db2.gz OWVLYRKSAFRJMK-WCBMZHEXSA-N 2 2 308.342 -1.416 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001381116292 922502320 /nfs/dbraw/zinc/50/23/20/922502320.db2.gz OWVLYRKSAFRJMK-WPRPVWTQSA-N 2 2 308.342 -1.416 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001381337527 922520128 /nfs/dbraw/zinc/52/01/28/922520128.db2.gz GNHHDLVKUXKOCZ-UHFFFAOYSA-N 2 2 322.369 -1.358 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001382244671 922636734 /nfs/dbraw/zinc/63/67/34/922636734.db2.gz HAVXSNNISPOZNY-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nn2)C1 ZINC001382244671 922636749 /nfs/dbraw/zinc/63/67/49/922636749.db2.gz HAVXSNNISPOZNY-AAEUAGOBSA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1nnnn1C ZINC001382268006 922651246 /nfs/dbraw/zinc/65/12/46/922651246.db2.gz RKLXCQIZWFSXPI-MNOVXSKESA-N 2 2 323.401 -1.566 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C ZINC001382271547 922658422 /nfs/dbraw/zinc/65/84/22/922658422.db2.gz CPFCQEWUVYAQHN-WDEREUQCSA-N 2 2 311.386 -1.196 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382276444 922661347 /nfs/dbraw/zinc/66/13/47/922661347.db2.gz XJSVCDKDYDSVSU-LBPRGKRZSA-N 2 2 309.370 -1.509 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382439029 922753416 /nfs/dbraw/zinc/75/34/16/922753416.db2.gz NVVGHDZPCSSYSH-GFCCVEGCSA-N 2 2 311.386 -1.230 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382443396 922754212 /nfs/dbraw/zinc/75/42/12/922754212.db2.gz ZEIMQTFIAFMABA-ZYHUDNBSSA-N 2 2 311.386 -1.365 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001382440819 922756378 /nfs/dbraw/zinc/75/63/78/922756378.db2.gz KIMAHDFWLCNMCP-ZDUSSCGKSA-N 2 2 321.385 -1.071 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382443393 922756422 /nfs/dbraw/zinc/75/64/22/922756422.db2.gz ZEIMQTFIAFMABA-JQWIXIFHSA-N 2 2 311.386 -1.365 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001382627080 922823237 /nfs/dbraw/zinc/82/32/37/922823237.db2.gz BVNIPTJPEZVENX-NWDGAFQWSA-N 2 2 323.397 -1.113 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001382653253 922828005 /nfs/dbraw/zinc/82/80/05/922828005.db2.gz LNPVCJKYJSYUGH-CYBMUJFWSA-N 2 2 323.397 -1.113 20 0 DAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383951202 922989745 /nfs/dbraw/zinc/98/97/45/922989745.db2.gz IKEUBMGAWIEDPM-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001383951202 922989756 /nfs/dbraw/zinc/98/97/56/922989756.db2.gz IKEUBMGAWIEDPM-STQMWFEESA-N 2 2 323.397 -1.039 20 0 DAADLP CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001383958688 922993446 /nfs/dbraw/zinc/99/34/46/922993446.db2.gz VIFVXOGVVJOEQN-VXGBXAGGSA-N 2 2 311.386 -1.114 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001384004670 923022842 /nfs/dbraw/zinc/02/28/42/923022842.db2.gz OYUDCFPGZPIXEK-LLVKDONJSA-N 2 2 321.381 -1.359 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001384260534 923080277 /nfs/dbraw/zinc/08/02/77/923080277.db2.gz BRMRJSQDLZBUDT-OLZOCXBDSA-N 2 2 323.397 -1.020 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001384260534 923080293 /nfs/dbraw/zinc/08/02/93/923080293.db2.gz BRMRJSQDLZBUDT-OLZOCXBDSA-N 2 2 323.397 -1.020 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC001384738188 923108090 /nfs/dbraw/zinc/10/80/90/923108090.db2.gz LAIGZPPUNYAPLI-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001384738828 923108147 /nfs/dbraw/zinc/10/81/47/923108147.db2.gz CRBZGVHEQJRRTM-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001384738828 923108159 /nfs/dbraw/zinc/10/81/59/923108159.db2.gz CRBZGVHEQJRRTM-VXGBXAGGSA-N 2 2 323.397 -1.018 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001389095402 923549573 /nfs/dbraw/zinc/54/95/73/923549573.db2.gz KHGPFFHVYRDLGL-RAIGVLPGSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001389095402 923549586 /nfs/dbraw/zinc/54/95/86/923549586.db2.gz KHGPFFHVYRDLGL-RAIGVLPGSA-N 2 2 323.397 -1.114 20 0 DAADLP CC[N@H+](C)CCC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001389430873 923623758 /nfs/dbraw/zinc/62/37/58/923623758.db2.gz UCVWPOMIQOKYLV-ZDUSSCGKSA-N 2 2 313.446 -1.064 20 0 DAADLP CC[N@@H+](C)CCC(=O)NCCN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001389430873 923623767 /nfs/dbraw/zinc/62/37/67/923623767.db2.gz UCVWPOMIQOKYLV-ZDUSSCGKSA-N 2 2 313.446 -1.064 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001389893861 923694796 /nfs/dbraw/zinc/69/47/96/923694796.db2.gz DMQHDBVLBZXYRI-MGCOHNPYSA-N 2 2 322.369 -1.345 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001389914882 923695697 /nfs/dbraw/zinc/69/56/97/923695697.db2.gz ADVHMZGBHIMNNA-DCAQKATOSA-N 2 2 322.369 -1.036 20 0 DAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913074 923795370 /nfs/dbraw/zinc/79/53/70/923795370.db2.gz ZTTKRYXZJUIUFF-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913074 923795383 /nfs/dbraw/zinc/79/53/83/923795383.db2.gz ZTTKRYXZJUIUFF-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913074 923795393 /nfs/dbraw/zinc/79/53/93/923795393.db2.gz ZTTKRYXZJUIUFF-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C)C(=O)NC ZINC001390913074 923795399 /nfs/dbraw/zinc/79/53/99/923795399.db2.gz ZTTKRYXZJUIUFF-NWDGAFQWSA-N 2 2 300.403 -1.110 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391371496 923828860 /nfs/dbraw/zinc/82/88/60/923828860.db2.gz ADHWCYBDEWAUQH-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391371496 923828868 /nfs/dbraw/zinc/82/88/68/923828868.db2.gz ADHWCYBDEWAUQH-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391371496 923828873 /nfs/dbraw/zinc/82/88/73/923828873.db2.gz ADHWCYBDEWAUQH-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391371496 923828881 /nfs/dbraw/zinc/82/88/81/923828881.db2.gz ADHWCYBDEWAUQH-MCIONIFRSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391371482 923829121 /nfs/dbraw/zinc/82/91/21/923829121.db2.gz ADHWCYBDEWAUQH-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001391371482 923829134 /nfs/dbraw/zinc/82/91/34/923829134.db2.gz ADHWCYBDEWAUQH-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001391371482 923829147 /nfs/dbraw/zinc/82/91/47/923829147.db2.gz ADHWCYBDEWAUQH-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001391371482 923829159 /nfs/dbraw/zinc/82/91/59/923829159.db2.gz ADHWCYBDEWAUQH-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391371519 923830128 /nfs/dbraw/zinc/83/01/28/923830128.db2.gz ADHWCYBDEWAUQH-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001391371519 923830136 /nfs/dbraw/zinc/83/01/36/923830136.db2.gz ADHWCYBDEWAUQH-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001391371519 923830142 /nfs/dbraw/zinc/83/01/42/923830142.db2.gz ADHWCYBDEWAUQH-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001391371519 923830147 /nfs/dbraw/zinc/83/01/47/923830147.db2.gz ADHWCYBDEWAUQH-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP O=C(CC[NH+]1CCOCC1)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001391506308 923849405 /nfs/dbraw/zinc/84/94/05/923849405.db2.gz FSJQKKSHJWZPGN-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001391510627 923849460 /nfs/dbraw/zinc/84/94/60/923849460.db2.gz LFOQEGDKMAXIQP-UHFFFAOYSA-N 2 2 309.370 -1.675 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001391494862 923849515 /nfs/dbraw/zinc/84/95/15/923849515.db2.gz SZWJJSLEZKHCGR-LLVKDONJSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391494862 923849527 /nfs/dbraw/zinc/84/95/27/923849527.db2.gz SZWJJSLEZKHCGR-LLVKDONJSA-N 2 2 311.386 -1.416 20 0 DAADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(=O)NC)C1 ZINC001391510024 923850830 /nfs/dbraw/zinc/85/08/30/923850830.db2.gz KFEYHJWCWZRFPC-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(=O)NC)C1 ZINC001391510024 923850844 /nfs/dbraw/zinc/85/08/44/923850844.db2.gz KFEYHJWCWZRFPC-UHFFFAOYSA-N 2 2 313.402 -1.168 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879481 923880911 /nfs/dbraw/zinc/88/09/11/923880911.db2.gz AUNPLJLLPLNPBQ-WCQYABFASA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnn(C)n1 ZINC001391879481 923880920 /nfs/dbraw/zinc/88/09/20/923880920.db2.gz AUNPLJLLPLNPBQ-WCQYABFASA-N 2 2 310.402 -1.012 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391930576 923885883 /nfs/dbraw/zinc/88/58/83/923885883.db2.gz NBYQUBQHQWFZSM-VIFPVBQESA-N 2 2 310.358 -1.250 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001391950579 923887250 /nfs/dbraw/zinc/88/72/50/923887250.db2.gz RBLOZADDHIDRGT-NXEZZACHSA-N 2 2 324.385 -1.112 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392147447 923944911 /nfs/dbraw/zinc/94/49/11/923944911.db2.gz UJNUGTJSJMGGFA-QWHCGFSZSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392147447 923944917 /nfs/dbraw/zinc/94/49/17/923944917.db2.gz UJNUGTJSJMGGFA-QWHCGFSZSA-N 2 2 323.397 -1.350 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001392179596 923946134 /nfs/dbraw/zinc/94/61/34/923946134.db2.gz HIDHHVIFCRISIP-MWLCHTKSSA-N 2 2 322.369 -1.026 20 0 DAADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392273179 923955916 /nfs/dbraw/zinc/95/59/16/923955916.db2.gz RSRLLGNDIMMARV-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001392273179 923955922 /nfs/dbraw/zinc/95/59/22/923955922.db2.gz RSRLLGNDIMMARV-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392273179 923955935 /nfs/dbraw/zinc/95/59/35/923955935.db2.gz RSRLLGNDIMMARV-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP CC[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392273179 923955947 /nfs/dbraw/zinc/95/59/47/923955947.db2.gz RSRLLGNDIMMARV-NEPJUHHUSA-N 2 2 300.403 -1.029 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC001392362363 923975288 /nfs/dbraw/zinc/97/52/88/923975288.db2.gz FFCQRUWRAYDKTJ-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC001392362363 923975292 /nfs/dbraw/zinc/97/52/92/923975292.db2.gz FFCQRUWRAYDKTJ-QWHCGFSZSA-N 2 2 312.370 -1.120 20 0 DAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001392364514 923976956 /nfs/dbraw/zinc/97/69/56/923976956.db2.gz LJSCBMFWEGQBNU-RYUDHWBXSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001392364514 923976966 /nfs/dbraw/zinc/97/69/66/923976966.db2.gz LJSCBMFWEGQBNU-RYUDHWBXSA-N 2 2 312.374 -2.288 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001392388640 924002407 /nfs/dbraw/zinc/00/24/07/924002407.db2.gz KPRLVHICBBAEGM-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001392388636 924003278 /nfs/dbraw/zinc/00/32/78/924003278.db2.gz KPRLVHICBBAEGM-NEPJUHHUSA-N 2 2 309.370 -1.429 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001392390146 924004317 /nfs/dbraw/zinc/00/43/17/924004317.db2.gz QAADIEMSJJZYRP-LLVKDONJSA-N 2 2 311.386 -1.261 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392397898 924009429 /nfs/dbraw/zinc/00/94/29/924009429.db2.gz OUGDDOYSACWAJF-GFCCVEGCSA-N 2 2 323.397 -1.348 20 0 DAADLP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001392417293 924022709 /nfs/dbraw/zinc/02/27/09/924022709.db2.gz CKCKBNNHPFAXBQ-VHSXEESVSA-N 2 2 314.390 -1.985 20 0 DAADLP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001392417283 924022988 /nfs/dbraw/zinc/02/29/88/924022988.db2.gz CKCKBNNHPFAXBQ-UWVGGRQHSA-N 2 2 314.390 -1.985 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001392418071 924024991 /nfs/dbraw/zinc/02/49/91/924024991.db2.gz GPDKWJANWIBBQP-RYUDHWBXSA-N 2 2 309.370 -1.692 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392434200 924030924 /nfs/dbraw/zinc/03/09/24/924030924.db2.gz WKPBDIULSACTPK-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392432954 924031429 /nfs/dbraw/zinc/03/14/29/924031429.db2.gz TVQFASFSTSSITE-VIFPVBQESA-N 2 2 312.330 -2.595 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001392497803 924040451 /nfs/dbraw/zinc/04/04/51/924040451.db2.gz PPBLSENBBPYWQE-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001392523092 924041858 /nfs/dbraw/zinc/04/18/58/924041858.db2.gz HSUFSJFYBAFPDS-RKDXNWHRSA-N 2 2 310.358 -1.360 20 0 DAADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001392523088 924042287 /nfs/dbraw/zinc/04/22/87/924042287.db2.gz HSUFSJFYBAFPDS-BDAKNGLRSA-N 2 2 310.358 -1.360 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392534330 924046291 /nfs/dbraw/zinc/04/62/91/924046291.db2.gz AORLGEHWWPLLSF-ZJUUUORDSA-N 2 2 310.358 -1.179 20 0 DAADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392863010 924090786 /nfs/dbraw/zinc/09/07/86/924090786.db2.gz DWTFXMRCBMERAD-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392863010 924090802 /nfs/dbraw/zinc/09/08/02/924090802.db2.gz DWTFXMRCBMERAD-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001392965532 924101412 /nfs/dbraw/zinc/10/14/12/924101412.db2.gz STGCIXICNXVBII-UHFFFAOYSA-N 2 2 321.381 -1.020 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393240406 924131135 /nfs/dbraw/zinc/13/11/35/924131135.db2.gz HCVGHVCDGSTEEG-RISCZKNCSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001393240406 924131144 /nfs/dbraw/zinc/13/11/44/924131144.db2.gz HCVGHVCDGSTEEG-RISCZKNCSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001393240406 924131154 /nfs/dbraw/zinc/13/11/54/924131154.db2.gz HCVGHVCDGSTEEG-RISCZKNCSA-N 2 2 314.386 -2.384 20 0 DAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001393240406 924131156 /nfs/dbraw/zinc/13/11/56/924131156.db2.gz HCVGHVCDGSTEEG-RISCZKNCSA-N 2 2 314.386 -2.384 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427020 924198153 /nfs/dbraw/zinc/19/81/53/924198153.db2.gz KGAYUIVBNLOVGW-GXTWGEPZSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427020 924198159 /nfs/dbraw/zinc/19/81/59/924198159.db2.gz KGAYUIVBNLOVGW-GXTWGEPZSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001393427020 924198168 /nfs/dbraw/zinc/19/81/68/924198168.db2.gz KGAYUIVBNLOVGW-GXTWGEPZSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427020 924198178 /nfs/dbraw/zinc/19/81/78/924198178.db2.gz KGAYUIVBNLOVGW-GXTWGEPZSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427047 924202939 /nfs/dbraw/zinc/20/29/39/924202939.db2.gz KGAYUIVBNLOVGW-TZMCWYRMSA-N 2 2 301.387 -1.748 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001393427047 924202953 /nfs/dbraw/zinc/20/29/53/924202953.db2.gz KGAYUIVBNLOVGW-TZMCWYRMSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001393427047 924202967 /nfs/dbraw/zinc/20/29/67/924202967.db2.gz KGAYUIVBNLOVGW-TZMCWYRMSA-N 2 2 301.387 -1.748 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427047 924202982 /nfs/dbraw/zinc/20/29/82/924202982.db2.gz KGAYUIVBNLOVGW-TZMCWYRMSA-N 2 2 301.387 -1.748 20 0 DAADLP CNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393452232 924206791 /nfs/dbraw/zinc/20/67/91/924206791.db2.gz OEOWHTPWPHVAHZ-AWEZNQCLSA-N 2 2 300.403 -1.373 20 0 DAADLP CNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001393452232 924206805 /nfs/dbraw/zinc/20/68/05/924206805.db2.gz OEOWHTPWPHVAHZ-AWEZNQCLSA-N 2 2 300.403 -1.373 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001393457661 924209972 /nfs/dbraw/zinc/20/99/72/924209972.db2.gz FENQQSLEQLKINM-GFCCVEGCSA-N 2 2 323.397 -1.348 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001393468126 924213004 /nfs/dbraw/zinc/21/30/04/924213004.db2.gz IWZRYBFSCZIVEI-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001393468126 924213017 /nfs/dbraw/zinc/21/30/17/924213017.db2.gz IWZRYBFSCZIVEI-WCQYABFASA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001393468124 924215170 /nfs/dbraw/zinc/21/51/70/924215170.db2.gz IWZRYBFSCZIVEI-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001393468124 924215184 /nfs/dbraw/zinc/21/51/84/924215184.db2.gz IWZRYBFSCZIVEI-DGCLKSJQSA-N 2 2 323.397 -1.113 20 0 DAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001393576561 924227940 /nfs/dbraw/zinc/22/79/40/924227940.db2.gz PZCDZWBPKXJRIB-GMTAPVOTSA-N 2 2 307.354 -1.185 20 0 DAADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393584738 924230029 /nfs/dbraw/zinc/23/00/29/924230029.db2.gz LZEYBYCGFKWPFG-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 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925049391 /nfs/dbraw/zinc/04/93/91/925049391.db2.gz VMHLAAIEKLRONL-JTQLQIEISA-N 2 2 317.415 -1.062 20 0 DAADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)NC(N)=O ZINC001403261629 925068433 /nfs/dbraw/zinc/06/84/33/925068433.db2.gz ZFKLBPFPNCQBCJ-UWVGGRQHSA-N 2 2 322.369 -1.026 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403325207 925070369 /nfs/dbraw/zinc/07/03/69/925070369.db2.gz KBBLVLKJVSXPGH-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403325207 925070378 /nfs/dbraw/zinc/07/03/78/925070378.db2.gz KBBLVLKJVSXPGH-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403359544 925074869 /nfs/dbraw/zinc/07/48/69/925074869.db2.gz VZZPCAFZEAUZHD-SNVBAGLBSA-N 2 2 313.402 -1.042 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001403359544 925074878 /nfs/dbraw/zinc/07/48/78/925074878.db2.gz VZZPCAFZEAUZHD-SNVBAGLBSA-N 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319.369 -1.271 20 0 DAADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H](O)CN1CCCC1=O ZINC001403799316 925142843 /nfs/dbraw/zinc/14/28/43/925142843.db2.gz BFMMUQKKBBDSQW-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H](O)CN1CCCC1=O ZINC001403799316 925142848 /nfs/dbraw/zinc/14/28/48/925142848.db2.gz BFMMUQKKBBDSQW-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001403835616 925150424 /nfs/dbraw/zinc/15/04/24/925150424.db2.gz MEHSIZVVNAKBPO-LBPRGKRZSA-N 2 2 323.397 -1.344 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1[nH+]ccn1C ZINC001403842363 925150954 /nfs/dbraw/zinc/15/09/54/925150954.db2.gz BFPRETUXWRCKBZ-VXGBXAGGSA-N 2 2 323.397 -1.350 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403866832 925157785 /nfs/dbraw/zinc/15/77/85/925157785.db2.gz FAIPJDMQNIDSGW-GFCCVEGCSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 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ZINC001405435263 925309474 /nfs/dbraw/zinc/30/94/74/925309474.db2.gz HKQJNGRMYHRDJM-DOMZBBRYSA-N 2 2 312.414 -1.063 20 0 DAADLP CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001405435263 925309478 /nfs/dbraw/zinc/30/94/78/925309478.db2.gz HKQJNGRMYHRDJM-DOMZBBRYSA-N 2 2 312.414 -1.063 20 0 DAADLP CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001405609174 925322161 /nfs/dbraw/zinc/32/21/61/925322161.db2.gz LIEDPHARIGBKAJ-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001405609174 925322171 /nfs/dbraw/zinc/32/21/71/925322171.db2.gz LIEDPHARIGBKAJ-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001406229492 925366156 /nfs/dbraw/zinc/36/61/56/925366156.db2.gz BJYVTRPYKYIIPT-PWSUYJOCSA-N 2 2 311.386 -1.114 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001406229492 925366167 /nfs/dbraw/zinc/36/61/67/925366167.db2.gz 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925476778 /nfs/dbraw/zinc/47/67/78/925476778.db2.gz GYOUACALUSUEPP-SWLSCSKDSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001407382373 925476783 /nfs/dbraw/zinc/47/67/83/925476783.db2.gz GYOUACALUSUEPP-SWLSCSKDSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001407382373 925476788 /nfs/dbraw/zinc/47/67/88/925476788.db2.gz GYOUACALUSUEPP-SWLSCSKDSA-N 2 2 322.413 -1.180 20 0 DAADLP Cn1cc(C[NH+]2CC[C@@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001407382373 925476795 /nfs/dbraw/zinc/47/67/95/925476795.db2.gz GYOUACALUSUEPP-SWLSCSKDSA-N 2 2 322.413 -1.180 20 0 DAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001407407884 925484655 /nfs/dbraw/zinc/48/46/55/925484655.db2.gz WUDWNIGQEJMQQX-LBPRGKRZSA-N 2 2 315.414 -1.359 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001407468048 925496239 /nfs/dbraw/zinc/49/62/39/925496239.db2.gz JBRUWTBSAWFBOM-ZDUSSCGKSA-N 2 2 315.414 -1.500 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001407869095 925532487 /nfs/dbraw/zinc/53/24/87/925532487.db2.gz UUIKDHYGZJMZAD-LLVKDONJSA-N 2 2 309.370 -1.345 20 0 DAADLP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001407882508 925534402 /nfs/dbraw/zinc/53/44/02/925534402.db2.gz XRZCBQOOJWSOJV-ZDUSSCGKSA-N 2 2 323.397 -1.084 20 0 DAADLP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001408068108 925544781 /nfs/dbraw/zinc/54/47/81/925544781.db2.gz VCTLRFUALLHWSE-OAHLLOKOSA-N 2 2 323.397 -1.050 20 0 DAADLP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001409897292 925655543 /nfs/dbraw/zinc/65/55/43/925655543.db2.gz CMRZWDMESHYREB-SNVBAGLBSA-N 2 2 313.402 -1.040 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410784475 925780247 /nfs/dbraw/zinc/78/02/47/925780247.db2.gz SBIKGECRDSIUFV-ZYHUDNBSSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001410793967 925784451 /nfs/dbraw/zinc/78/44/51/925784451.db2.gz UXFDURQCWZDFEK-NXEZZACHSA-N 2 2 312.374 -2.373 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793967 925784456 /nfs/dbraw/zinc/78/44/56/925784456.db2.gz UXFDURQCWZDFEK-NXEZZACHSA-N 2 2 312.374 -2.373 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411106101 925813525 /nfs/dbraw/zinc/81/35/25/925813525.db2.gz ULSHCQMNGFJIHT-ZDUSSCGKSA-N 2 2 323.397 -1.018 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001411124102 925816137 /nfs/dbraw/zinc/81/61/37/925816137.db2.gz JGXRZUTTZCZQHV-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001411124069 925817091 /nfs/dbraw/zinc/81/70/91/925817091.db2.gz JCUGCDGORRTBTB-GHMZBOCLSA-N 2 2 309.370 -1.408 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)C1 ZINC001411192305 925829285 /nfs/dbraw/zinc/82/92/85/925829285.db2.gz YVFLWPDICAVLNB-RYUDHWBXSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O)C1 ZINC001411192305 925829299 /nfs/dbraw/zinc/82/92/99/925829299.db2.gz YVFLWPDICAVLNB-RYUDHWBXSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)C1 ZINC001411192305 925829306 /nfs/dbraw/zinc/82/93/06/925829306.db2.gz YVFLWPDICAVLNB-RYUDHWBXSA-N 2 2 316.402 -2.057 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)C1 ZINC001411192305 925829320 /nfs/dbraw/zinc/82/93/20/925829320.db2.gz YVFLWPDICAVLNB-RYUDHWBXSA-N 2 2 316.402 -2.057 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001412803585 925953442 /nfs/dbraw/zinc/95/34/42/925953442.db2.gz SDBDSYQLCYUDLM-WCQYABFASA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001412803585 925953450 /nfs/dbraw/zinc/95/34/50/925953450.db2.gz SDBDSYQLCYUDLM-WCQYABFASA-N 2 2 323.397 -1.350 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC001412911128 925982216 /nfs/dbraw/zinc/98/22/16/925982216.db2.gz YUQYWPOHEJOOSK-FRRDWIJNSA-N 2 2 323.397 -1.183 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC001412911128 925982221 /nfs/dbraw/zinc/98/22/21/925982221.db2.gz YUQYWPOHEJOOSK-FRRDWIJNSA-N 2 2 323.397 -1.183 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001412916714 925982678 /nfs/dbraw/zinc/98/26/78/925982678.db2.gz MZPZDKDEAQCBHH-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914441 925983908 /nfs/dbraw/zinc/98/39/08/925983908.db2.gz GZYQKQCZSHBZBY-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001412914441 925983917 /nfs/dbraw/zinc/98/39/17/925983917.db2.gz GZYQKQCZSHBZBY-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040680 926099577 /nfs/dbraw/zinc/09/95/77/926099577.db2.gz VPAGAZFPGRXQSI-CHWSQXEVSA-N 2 2 323.459 -1.203 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040680 926099586 /nfs/dbraw/zinc/09/95/86/926099586.db2.gz VPAGAZFPGRXQSI-CHWSQXEVSA-N 2 2 323.459 -1.203 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040680 926099595 /nfs/dbraw/zinc/09/95/95/926099595.db2.gz VPAGAZFPGRXQSI-CHWSQXEVSA-N 2 2 323.459 -1.203 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040680 926099603 /nfs/dbraw/zinc/09/96/03/926099603.db2.gz VPAGAZFPGRXQSI-CHWSQXEVSA-N 2 2 323.459 -1.203 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001414059554 926103877 /nfs/dbraw/zinc/10/38/77/926103877.db2.gz HLYWOWSDAKUHJS-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001414059554 926103889 /nfs/dbraw/zinc/10/38/89/926103889.db2.gz HLYWOWSDAKUHJS-OLZOCXBDSA-N 2 2 323.397 -1.018 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416738584 926257353 /nfs/dbraw/zinc/25/73/53/926257353.db2.gz FMIHZFPSKWYSIB-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416738584 926257359 /nfs/dbraw/zinc/25/73/59/926257359.db2.gz FMIHZFPSKWYSIB-RYUDHWBXSA-N 2 2 309.370 -1.429 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001416755586 926264946 /nfs/dbraw/zinc/26/49/46/926264946.db2.gz DRBUHVHFUGRAFR-LBPRGKRZSA-N 2 2 320.353 -1.318 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001417802811 926338123 /nfs/dbraw/zinc/33/81/23/926338123.db2.gz PPOBRARGBLYOSZ-DCAQKATOSA-N 2 2 322.369 -1.049 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CC(N)=O)C1 ZINC001417833594 926342030 /nfs/dbraw/zinc/34/20/30/926342030.db2.gz JUEFRSLZHKJRMX-CHWSQXEVSA-N 2 2 312.414 -1.149 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](CCO)CC(N)=O)C1 ZINC001417833594 926342040 /nfs/dbraw/zinc/34/20/40/926342040.db2.gz JUEFRSLZHKJRMX-CHWSQXEVSA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417833594 926342049 /nfs/dbraw/zinc/34/20/49/926342049.db2.gz JUEFRSLZHKJRMX-CHWSQXEVSA-N 2 2 312.414 -1.149 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417833594 926342060 /nfs/dbraw/zinc/34/20/60/926342060.db2.gz JUEFRSLZHKJRMX-CHWSQXEVSA-N 2 2 312.414 -1.149 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417928195 926351337 /nfs/dbraw/zinc/35/13/37/926351337.db2.gz JTIHFYIULBELNF-AWEZNQCLSA-N 2 2 314.430 -1.567 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417928195 926351347 /nfs/dbraw/zinc/35/13/47/926351347.db2.gz JTIHFYIULBELNF-AWEZNQCLSA-N 2 2 314.430 -1.567 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(=O)NC(N)=O ZINC001418254431 926376559 /nfs/dbraw/zinc/37/65/59/926376559.db2.gz UUHDIOYGXHWBPV-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418294548 926378856 /nfs/dbraw/zinc/37/88/56/926378856.db2.gz YKCZCJCCXWNUQS-DTWKUNHWSA-N 2 2 310.358 -1.109 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCNS(C)(=O)=O)C1 ZINC001418493962 926397209 /nfs/dbraw/zinc/39/72/09/926397209.db2.gz IWOMUUYSTGMQRD-LBPRGKRZSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCNS(C)(=O)=O)C1 ZINC001418493962 926397214 /nfs/dbraw/zinc/39/72/14/926397214.db2.gz IWOMUUYSTGMQRD-LBPRGKRZSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O)C1 ZINC001418493962 926397222 /nfs/dbraw/zinc/39/72/22/926397222.db2.gz IWOMUUYSTGMQRD-LBPRGKRZSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001418493962 926397228 /nfs/dbraw/zinc/39/72/28/926397228.db2.gz IWOMUUYSTGMQRD-LBPRGKRZSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001418804621 926424514 /nfs/dbraw/zinc/42/45/14/926424514.db2.gz BJAGPBKUHUVJTG-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001418804621 926424520 /nfs/dbraw/zinc/42/45/20/926424520.db2.gz BJAGPBKUHUVJTG-VIFPVBQESA-N 2 2 310.358 -1.026 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902115 926430010 /nfs/dbraw/zinc/43/00/10/926430010.db2.gz AQAXMLKLCGETAE-SNVBAGLBSA-N 2 2 322.369 -1.025 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902115 926430011 /nfs/dbraw/zinc/43/00/11/926430011.db2.gz AQAXMLKLCGETAE-SNVBAGLBSA-N 2 2 322.369 -1.025 20 0 DAADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001419045085 926447818 /nfs/dbraw/zinc/44/78/18/926447818.db2.gz KMLFGGLISSMKGZ-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001419045085 926447822 /nfs/dbraw/zinc/44/78/22/926447822.db2.gz KMLFGGLISSMKGZ-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001419129536 926459927 /nfs/dbraw/zinc/45/99/27/926459927.db2.gz NVAJBWHCNDPNNA-KGLIPLIRSA-N 2 2 314.430 -1.568 20 0 DAADLP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001419129536 926459931 /nfs/dbraw/zinc/45/99/31/926459931.db2.gz NVAJBWHCNDPNNA-KGLIPLIRSA-N 2 2 314.430 -1.568 20 0 DAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)NC(N)=O ZINC001419511183 926481753 /nfs/dbraw/zinc/48/17/53/926481753.db2.gz JFYGPHXTIVEEMW-LPEHRKFASA-N 2 2 308.342 -1.297 20 0 DAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001419825821 926503967 /nfs/dbraw/zinc/50/39/67/926503967.db2.gz QOHLNZVRSSSVTB-MNOVXSKESA-N 2 2 322.369 -1.095 20 0 DAADLP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001420108114 926525103 /nfs/dbraw/zinc/52/51/03/926525103.db2.gz KEIMUPTXQBGWJF-QWHCGFSZSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001420108114 926525113 /nfs/dbraw/zinc/52/51/13/926525113.db2.gz KEIMUPTXQBGWJF-QWHCGFSZSA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001420108120 926525532 /nfs/dbraw/zinc/52/55/32/926525532.db2.gz KEIMUPTXQBGWJF-STQMWFEESA-N 2 2 311.386 -1.683 20 0 DAADLP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001420108120 926525541 /nfs/dbraw/zinc/52/55/41/926525541.db2.gz KEIMUPTXQBGWJF-STQMWFEESA-N 2 2 311.386 -1.683 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001420176263 926553246 /nfs/dbraw/zinc/55/32/46/926553246.db2.gz RVKFXAVJESEVSA-GMTAPVOTSA-N 2 2 309.370 -1.664 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001420207783 926564856 /nfs/dbraw/zinc/56/48/56/926564856.db2.gz ACMPJTGSDOUAKW-GXSJLCMTSA-N 2 2 322.373 -1.457 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001420207788 926565490 /nfs/dbraw/zinc/56/54/90/926565490.db2.gz ACMPJTGSDOUAKW-MWLCHTKSSA-N 2 2 322.373 -1.457 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420264362 926573000 /nfs/dbraw/zinc/57/30/00/926573000.db2.gz MGQFJHMETMEAPD-GFCCVEGCSA-N 2 2 307.358 -1.413 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420429365 926592425 /nfs/dbraw/zinc/59/24/25/926592425.db2.gz POJJVWMTBHBZCC-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420429365 926592430 /nfs/dbraw/zinc/59/24/30/926592430.db2.gz POJJVWMTBHBZCC-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001420497490 926596295 /nfs/dbraw/zinc/59/62/95/926596295.db2.gz HTMLCGOOMLXDHT-QMMMGPOBSA-N 2 2 310.358 -1.189 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cn1cc[nH+]c1 ZINC001420520384 926599021 /nfs/dbraw/zinc/59/90/21/926599021.db2.gz HVGIHLPEUUSCCT-NSHDSACASA-N 2 2 322.369 -2.064 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001420724641 926611803 /nfs/dbraw/zinc/61/18/03/926611803.db2.gz DGPDNRCYZCIUTL-SECBINFHSA-N 2 2 310.358 -1.156 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(N)=O ZINC001420792118 926617838 /nfs/dbraw/zinc/61/78/38/926617838.db2.gz SLFOWNDLVFEXQU-PHIMTYICSA-N 2 2 311.386 -1.192 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(N)=O ZINC001420792118 926617848 /nfs/dbraw/zinc/61/78/48/926617848.db2.gz SLFOWNDLVFEXQU-PHIMTYICSA-N 2 2 311.386 -1.192 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)nc1=O ZINC001420801618 926617966 /nfs/dbraw/zinc/61/79/66/926617966.db2.gz UYEJNQVAKNQVME-LLVKDONJSA-N 2 2 319.369 -1.011 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001421179647 926652673 /nfs/dbraw/zinc/65/26/73/926652673.db2.gz IOGPFXUEIPYVRO-SNVBAGLBSA-N 2 2 323.397 -1.286 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001421290129 926660368 /nfs/dbraw/zinc/66/03/68/926660368.db2.gz SSJLAFFLDNHBRH-WDEREUQCSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001421290129 926660374 /nfs/dbraw/zinc/66/03/74/926660374.db2.gz SSJLAFFLDNHBRH-WDEREUQCSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001421290129 926660379 /nfs/dbraw/zinc/66/03/79/926660379.db2.gz SSJLAFFLDNHBRH-WDEREUQCSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421290129 926660385 /nfs/dbraw/zinc/66/03/85/926660385.db2.gz SSJLAFFLDNHBRH-WDEREUQCSA-N 2 2 311.386 -1.416 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412371 926693091 /nfs/dbraw/zinc/69/30/91/926693091.db2.gz NKZFZGWBOZKLDP-IAQYHMDHSA-N 2 2 323.397 -1.350 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001421412371 926693098 /nfs/dbraw/zinc/69/30/98/926693098.db2.gz NKZFZGWBOZKLDP-IAQYHMDHSA-N 2 2 323.397 -1.350 20 0 DAADLP C[NH+]1CCC(OCC(=O)NCC2(O)C[NH+](CCCO)C2)CC1 ZINC001421497211 926719443 /nfs/dbraw/zinc/71/94/43/926719443.db2.gz ZUAZNOUOHKWFFI-UHFFFAOYSA-N 2 2 315.414 -1.358 20 0 DAADLP C[C@H]([NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001421641086 926739169 /nfs/dbraw/zinc/73/91/69/926739169.db2.gz FACOTOKAXTUJCU-LBPRGKRZSA-N 2 2 311.386 -1.230 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674495 926742543 /nfs/dbraw/zinc/74/25/43/926742543.db2.gz ISLWIYAVKYVKGK-NWDGAFQWSA-N 2 2 310.402 -1.012 20 0 DAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ncnn1C ZINC001421674495 926742549 /nfs/dbraw/zinc/74/25/49/926742549.db2.gz ISLWIYAVKYVKGK-NWDGAFQWSA-N 2 2 310.402 -1.012 20 0 DAADLP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001421812490 926763210 /nfs/dbraw/zinc/76/32/10/926763210.db2.gz AUEGOCWQMAPYTO-LLVKDONJSA-N 2 2 309.370 -1.143 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001421813277 926764273 /nfs/dbraw/zinc/76/42/73/926764273.db2.gz CJUMVXKIJKFEMU-JQWIXIFHSA-N 2 2 309.370 -1.109 20 0 DAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001422277130 926809667 /nfs/dbraw/zinc/80/96/67/926809667.db2.gz SIVBTLKBPQQFJP-NEPJUHHUSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001422277130 926809678 /nfs/dbraw/zinc/80/96/78/926809678.db2.gz SIVBTLKBPQQFJP-NEPJUHHUSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001422277133 926810193 /nfs/dbraw/zinc/81/01/93/926810193.db2.gz SIVBTLKBPQQFJP-VXGBXAGGSA-N 2 2 312.374 -2.288 20 0 DAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001422277133 926810202 /nfs/dbraw/zinc/81/02/02/926810202.db2.gz SIVBTLKBPQQFJP-VXGBXAGGSA-N 2 2 312.374 -2.288 20 0 DAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001422342537 926837217 /nfs/dbraw/zinc/83/72/17/926837217.db2.gz KFFWEWQCGNBBFG-NEPJUHHUSA-N 2 2 311.386 -1.183 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001422384644 926858564 /nfs/dbraw/zinc/85/85/64/926858564.db2.gz BTGJRRMTAHOOMI-WDEREUQCSA-N 2 2 319.369 -1.202 20 0 DAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001422403435 926866785 /nfs/dbraw/zinc/86/67/85/926866785.db2.gz KJBXWZYGFASBQL-GHMZBOCLSA-N 2 2 307.358 -1.161 20 0 DAADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001422409713 926866991 /nfs/dbraw/zinc/86/69/91/926866991.db2.gz XEVNTUOOKKQKSN-NWDGAFQWSA-N 2 2 309.370 -1.382 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422486999 926875094 /nfs/dbraw/zinc/87/50/94/926875094.db2.gz MCYZQIXTJMEMJV-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422486999 926875101 /nfs/dbraw/zinc/87/51/01/926875101.db2.gz MCYZQIXTJMEMJV-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422486999 926875111 /nfs/dbraw/zinc/87/51/11/926875111.db2.gz MCYZQIXTJMEMJV-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422486999 926875124 /nfs/dbraw/zinc/87/51/24/926875124.db2.gz MCYZQIXTJMEMJV-NEPJUHHUSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422487000 926877789 /nfs/dbraw/zinc/87/77/89/926877789.db2.gz MCYZQIXTJMEMJV-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CC(=O)N(C)C ZINC001422487000 926877800 /nfs/dbraw/zinc/87/78/00/926877800.db2.gz MCYZQIXTJMEMJV-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422487000 926877811 /nfs/dbraw/zinc/87/78/11/926877811.db2.gz MCYZQIXTJMEMJV-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422487000 926877822 /nfs/dbraw/zinc/87/78/22/926877822.db2.gz MCYZQIXTJMEMJV-NWDGAFQWSA-N 2 2 300.403 -1.158 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422500081 926880729 /nfs/dbraw/zinc/88/07/29/926880729.db2.gz POJJVWMTBHBZCC-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422500081 926880738 /nfs/dbraw/zinc/88/07/38/926880738.db2.gz POJJVWMTBHBZCC-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751353 926914927 /nfs/dbraw/zinc/91/49/27/926914927.db2.gz IMBHPSOZSACEGD-VHSXEESVSA-N 2 2 311.386 -1.431 20 0 DAADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001422751353 926914934 /nfs/dbraw/zinc/91/49/34/926914934.db2.gz IMBHPSOZSACEGD-VHSXEESVSA-N 2 2 311.386 -1.431 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001422847569 926921440 /nfs/dbraw/zinc/92/14/40/926921440.db2.gz DOJWKOLDQLWFLV-JQWIXIFHSA-N 2 2 309.370 -1.049 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001422847572 926922189 /nfs/dbraw/zinc/92/21/89/926922189.db2.gz DOJWKOLDQLWFLV-PWSUYJOCSA-N 2 2 309.370 -1.049 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001422847578 926922944 /nfs/dbraw/zinc/92/29/44/926922944.db2.gz DOJWKOLDQLWFLV-ZYHUDNBSSA-N 2 2 309.370 -1.049 20 0 DAADLP CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001422936268 926931779 /nfs/dbraw/zinc/93/17/79/926931779.db2.gz UWNFLZLOGNGXMQ-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001422936268 926931792 /nfs/dbraw/zinc/93/17/92/926931792.db2.gz UWNFLZLOGNGXMQ-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001422936268 926931800 /nfs/dbraw/zinc/93/18/00/926931800.db2.gz UWNFLZLOGNGXMQ-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP CNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001422936268 926931811 /nfs/dbraw/zinc/93/18/11/926931811.db2.gz UWNFLZLOGNGXMQ-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001422955602 926934467 /nfs/dbraw/zinc/93/44/67/926934467.db2.gz UBCJHWDHIKKMQE-VHSXEESVSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001422955602 926934479 /nfs/dbraw/zinc/93/44/79/926934479.db2.gz UBCJHWDHIKKMQE-VHSXEESVSA-N 2 2 310.358 -1.097 20 0 DAADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)NC(N)=O ZINC001423097183 926946399 /nfs/dbraw/zinc/94/63/99/926946399.db2.gz DQXAZBBMVZFAPR-JTQLQIEISA-N 2 2 324.385 -1.016 20 0 DAADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001423137980 926952421 /nfs/dbraw/zinc/95/24/21/926952421.db2.gz VLUHLGFKOPCCKS-BDAKNGLRSA-N 2 2 310.358 -1.028 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190993 926960730 /nfs/dbraw/zinc/96/07/30/926960730.db2.gz CPHGDDUWSPGQRX-QWRGUYRKSA-N 2 2 323.415 -2.572 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001423190993 926960737 /nfs/dbraw/zinc/96/07/37/926960737.db2.gz CPHGDDUWSPGQRX-QWRGUYRKSA-N 2 2 323.415 -2.572 20 0 DAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001423230100 926986244 /nfs/dbraw/zinc/98/62/44/926986244.db2.gz MQHPPZNNHWLSSY-NWDGAFQWSA-N 2 2 323.397 -1.400 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001423242981 926994586 /nfs/dbraw/zinc/99/45/86/926994586.db2.gz RELJALVRRLZDBE-NSHDSACASA-N 2 2 307.358 -1.413 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001423259855 927002435 /nfs/dbraw/zinc/00/24/35/927002435.db2.gz OIBYYVLTLBUJGQ-GFCCVEGCSA-N 2 2 309.370 -1.463 20 0 DAADLP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001423271910 927010215 /nfs/dbraw/zinc/01/02/15/927010215.db2.gz QNWFEKUUVXKOFZ-CMPLNLGQSA-N 2 2 313.406 -1.637 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001423292104 927018467 /nfs/dbraw/zinc/01/84/67/927018467.db2.gz GZYNQMCDIYUBNF-CMPLNLGQSA-N 2 2 309.370 -1.740 20 0 DAADLP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001423304504 927020501 /nfs/dbraw/zinc/02/05/01/927020501.db2.gz OIDJBTJDRWKRNW-QWHCGFSZSA-N 2 2 312.414 -1.327 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001423305987 927025660 /nfs/dbraw/zinc/02/56/60/927025660.db2.gz ZEPRJGHMBHJJAI-WCQYABFASA-N 2 2 310.402 -1.276 20 0 DAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001423305987 927025669 /nfs/dbraw/zinc/02/56/69/927025669.db2.gz ZEPRJGHMBHJJAI-WCQYABFASA-N 2 2 310.402 -1.276 20 0 DAADLP C[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)C(=O)NC(N)=O ZINC001423312686 927028211 /nfs/dbraw/zinc/02/82/11/927028211.db2.gz MTFFDJRSAQENFJ-VIFPVBQESA-N 2 2 308.342 -1.295 20 0 DAADLP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001423312372 927029142 /nfs/dbraw/zinc/02/91/42/927029142.db2.gz VMXGAZIQCZRSSW-NWDGAFQWSA-N 2 2 309.370 -1.429 20 0 DAADLP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001423465697 927066102 /nfs/dbraw/zinc/06/61/02/927066102.db2.gz KOUHHFDXVIJRLT-LBPRGKRZSA-N 2 2 309.370 -1.360 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423480398 927071668 /nfs/dbraw/zinc/07/16/68/927071668.db2.gz DQEODYFNHNFTRC-QWRGUYRKSA-N 2 2 311.386 -1.196 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423542450 927092001 /nfs/dbraw/zinc/09/20/01/927092001.db2.gz KAQRNMYAJOUUSJ-VXGBXAGGSA-N 2 2 311.386 -1.231 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423542450 927092015 /nfs/dbraw/zinc/09/20/15/927092015.db2.gz KAQRNMYAJOUUSJ-VXGBXAGGSA-N 2 2 311.386 -1.231 20 0 DAADLP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001423547230 927092671 /nfs/dbraw/zinc/09/26/71/927092671.db2.gz LDDSQQMIWHXZHB-LBPRGKRZSA-N 2 2 311.386 -1.311 20 0 DAADLP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001423547230 927092687 /nfs/dbraw/zinc/09/26/87/927092687.db2.gz LDDSQQMIWHXZHB-LBPRGKRZSA-N 2 2 311.386 -1.311 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001423757585 927116214 /nfs/dbraw/zinc/11/62/14/927116214.db2.gz HNUSWZSJGSXBSH-SWLSCSKDSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001423757585 927116222 /nfs/dbraw/zinc/11/62/22/927116222.db2.gz HNUSWZSJGSXBSH-SWLSCSKDSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001423757585 927116232 /nfs/dbraw/zinc/11/62/32/927116232.db2.gz HNUSWZSJGSXBSH-SWLSCSKDSA-N 2 2 312.414 -1.230 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423757585 927116241 /nfs/dbraw/zinc/11/62/41/927116241.db2.gz HNUSWZSJGSXBSH-SWLSCSKDSA-N 2 2 312.414 -1.230 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001423788861 927126802 /nfs/dbraw/zinc/12/68/02/927126802.db2.gz KPINXRBKYKIMOW-CQSZACIVSA-N 2 2 309.370 -1.476 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001423788861 927126810 /nfs/dbraw/zinc/12/68/10/927126810.db2.gz KPINXRBKYKIMOW-CQSZACIVSA-N 2 2 309.370 -1.476 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001423798164 927131347 /nfs/dbraw/zinc/13/13/47/927131347.db2.gz FGYLVCCQYCPVBY-SMDDNHRTSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001423798164 927131358 /nfs/dbraw/zinc/13/13/58/927131358.db2.gz FGYLVCCQYCPVBY-SMDDNHRTSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001423798164 927131370 /nfs/dbraw/zinc/13/13/70/927131370.db2.gz FGYLVCCQYCPVBY-SMDDNHRTSA-N 2 2 314.386 -2.255 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001423798164 927131380 /nfs/dbraw/zinc/13/13/80/927131380.db2.gz FGYLVCCQYCPVBY-SMDDNHRTSA-N 2 2 314.386 -2.255 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001423801923 927135113 /nfs/dbraw/zinc/13/51/13/927135113.db2.gz UXHJJSLHWOTGSQ-HNNXBMFYSA-N 2 2 323.397 -1.396 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001423801923 927135124 /nfs/dbraw/zinc/13/51/24/927135124.db2.gz UXHJJSLHWOTGSQ-HNNXBMFYSA-N 2 2 323.397 -1.396 20 0 DAADLP NC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001423994560 927178925 /nfs/dbraw/zinc/17/89/25/927178925.db2.gz ABJBYPVFMXQZMB-PHIMTYICSA-N 2 2 320.353 -1.532 20 0 DAADLP NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001423994560 927178935 /nfs/dbraw/zinc/17/89/35/927178935.db2.gz ABJBYPVFMXQZMB-PHIMTYICSA-N 2 2 320.353 -1.532 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001424021156 927181701 /nfs/dbraw/zinc/18/17/01/927181701.db2.gz BIQYRQGLMOPTQZ-IUODEOHRSA-N 2 2 312.414 -1.243 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001424021156 927181707 /nfs/dbraw/zinc/18/17/07/927181707.db2.gz BIQYRQGLMOPTQZ-IUODEOHRSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001424021156 927181713 /nfs/dbraw/zinc/18/17/13/927181713.db2.gz BIQYRQGLMOPTQZ-IUODEOHRSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001424021156 927181721 /nfs/dbraw/zinc/18/17/21/927181721.db2.gz BIQYRQGLMOPTQZ-IUODEOHRSA-N 2 2 312.414 -1.243 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001424021154 927183184 /nfs/dbraw/zinc/18/31/84/927183184.db2.gz BIQYRQGLMOPTQZ-DOMZBBRYSA-N 2 2 312.414 -1.243 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001424021154 927183189 /nfs/dbraw/zinc/18/31/89/927183189.db2.gz BIQYRQGLMOPTQZ-DOMZBBRYSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001424021154 927183195 /nfs/dbraw/zinc/18/31/95/927183195.db2.gz BIQYRQGLMOPTQZ-DOMZBBRYSA-N 2 2 312.414 -1.243 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001424021154 927183200 /nfs/dbraw/zinc/18/32/00/927183200.db2.gz BIQYRQGLMOPTQZ-DOMZBBRYSA-N 2 2 312.414 -1.243 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001424806675 927258259 /nfs/dbraw/zinc/25/82/59/927258259.db2.gz BKDHTVDMXLEPLM-RKDXNWHRSA-N 2 2 310.358 -1.109 20 0 DAADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001425274252 927299694 /nfs/dbraw/zinc/29/96/94/927299694.db2.gz VQPBINGCWJGFCL-JTQLQIEISA-N 2 2 323.397 -1.286 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001425756150 927427598 /nfs/dbraw/zinc/42/75/98/927427598.db2.gz NOLGKRXPYBJBHH-GRYCIOLGSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001425756150 927427603 /nfs/dbraw/zinc/42/76/03/927427603.db2.gz NOLGKRXPYBJBHH-GRYCIOLGSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)CC[N@@H+]1C ZINC001425756152 927428094 /nfs/dbraw/zinc/42/80/94/927428094.db2.gz NOLGKRXPYBJBHH-IJLUTSLNSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nncn2C)CC[N@H+]1C ZINC001425756152 927428104 /nfs/dbraw/zinc/42/81/04/927428104.db2.gz NOLGKRXPYBJBHH-IJLUTSLNSA-N 2 2 310.402 -1.278 20 0 DAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001425787051 927445636 /nfs/dbraw/zinc/44/56/36/927445636.db2.gz PKKSCQBKUZYDHE-RKDXNWHRSA-N 2 2 313.358 -1.710 20 0 DAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001425783480 927445687 /nfs/dbraw/zinc/44/56/87/927445687.db2.gz RMUUUZFZQVPWES-LBPRGKRZSA-N 2 2 309.370 -1.509 20 0 DAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001425787041 927445756 /nfs/dbraw/zinc/44/57/56/927445756.db2.gz PKKSCQBKUZYDHE-DTWKUNHWSA-N 2 2 313.358 -1.710 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001425794989 927450456 /nfs/dbraw/zinc/45/04/56/927450456.db2.gz HZJOTCGCMIKRHL-NWDGAFQWSA-N 2 2 323.397 -1.161 20 0 DAADLP CN(C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425794989 927450459 /nfs/dbraw/zinc/45/04/59/927450459.db2.gz HZJOTCGCMIKRHL-NWDGAFQWSA-N 2 2 323.397 -1.161 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001425802464 927455653 /nfs/dbraw/zinc/45/56/53/927455653.db2.gz MBTFLYWYXOEGQS-RYUDHWBXSA-N 2 2 321.443 -1.561 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O)C1 ZINC001425802464 927455660 /nfs/dbraw/zinc/45/56/60/927455660.db2.gz MBTFLYWYXOEGQS-RYUDHWBXSA-N 2 2 321.443 -1.561 20 0 DAADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001425812339 927457655 /nfs/dbraw/zinc/45/76/55/927457655.db2.gz ABJMMESRPOPVIX-WDEREUQCSA-N 2 2 311.386 -1.053 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425827029 927465002 /nfs/dbraw/zinc/46/50/02/927465002.db2.gz DOPXDFCSTHLANP-LLVKDONJSA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425827031 927465329 /nfs/dbraw/zinc/46/53/29/927465329.db2.gz DOPXDFCSTHLANP-NSHDSACASA-N 2 2 309.370 -1.692 20 0 DAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001425839616 927470978 /nfs/dbraw/zinc/47/09/78/927470978.db2.gz UPRDTTXLYXWPNC-WDEREUQCSA-N 2 2 311.390 -1.881 20 0 DAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425839616 927470990 /nfs/dbraw/zinc/47/09/90/927470990.db2.gz UPRDTTXLYXWPNC-WDEREUQCSA-N 2 2 311.390 -1.881 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001425891793 927489493 /nfs/dbraw/zinc/48/94/93/927489493.db2.gz HAFJCKVHVVGYKE-ONGXEEELSA-N 2 2 322.369 -1.013 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001426052983 927517123 /nfs/dbraw/zinc/51/71/23/927517123.db2.gz LTPPEXMANRZYOU-GFCCVEGCSA-N 2 2 321.385 -1.071 20 0 DAADLP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426055939 927518186 /nfs/dbraw/zinc/51/81/86/927518186.db2.gz IWEKUQKGOPNBNA-RYUDHWBXSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426055939 927518192 /nfs/dbraw/zinc/51/81/92/927518192.db2.gz IWEKUQKGOPNBNA-RYUDHWBXSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426055939 927518198 /nfs/dbraw/zinc/51/81/98/927518198.db2.gz IWEKUQKGOPNBNA-RYUDHWBXSA-N 2 2 316.402 -2.186 20 0 DAADLP CNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426055939 927518207 /nfs/dbraw/zinc/51/82/07/927518207.db2.gz IWEKUQKGOPNBNA-RYUDHWBXSA-N 2 2 316.402 -2.186 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001426891469 927586907 /nfs/dbraw/zinc/58/69/07/927586907.db2.gz BRDHZGHKZBOVEY-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001427122866 927597521 /nfs/dbraw/zinc/59/75/21/927597521.db2.gz QKNAMFSRXSLLCD-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001427122858 927597622 /nfs/dbraw/zinc/59/76/22/927597622.db2.gz QKNAMFSRXSLLCD-OLZOCXBDSA-N 2 2 323.397 -1.087 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001427821960 927682224 /nfs/dbraw/zinc/68/22/24/927682224.db2.gz GDRMSESJGXCRKF-NWDGAFQWSA-N 2 2 309.370 -1.572 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cc[nH+]c2)C1 ZINC001427821960 927682227 /nfs/dbraw/zinc/68/22/27/927682227.db2.gz GDRMSESJGXCRKF-NWDGAFQWSA-N 2 2 309.370 -1.572 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427834531 927685974 /nfs/dbraw/zinc/68/59/74/927685974.db2.gz XOUGGEGNYQOPRM-NEPJUHHUSA-N 2 2 323.397 -1.492 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427834531 927685980 /nfs/dbraw/zinc/68/59/80/927685980.db2.gz XOUGGEGNYQOPRM-NEPJUHHUSA-N 2 2 323.397 -1.492 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001428226606 927760842 /nfs/dbraw/zinc/76/08/42/927760842.db2.gz UMPBIBOFMBEMCD-STQMWFEESA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001428226606 927760851 /nfs/dbraw/zinc/76/08/51/927760851.db2.gz UMPBIBOFMBEMCD-STQMWFEESA-N 2 2 323.397 -1.230 20 0 DAADLP CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001428270380 927769103 /nfs/dbraw/zinc/76/91/03/927769103.db2.gz HHOGHQZXMBFPLS-ZDUSSCGKSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001428270378 927769140 /nfs/dbraw/zinc/76/91/40/927769140.db2.gz HHOGHQZXMBFPLS-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001429276364 927856012 /nfs/dbraw/zinc/85/60/12/927856012.db2.gz DGYBHWDPKMCZNX-STQMWFEESA-N 2 2 323.397 -1.018 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001431551812 928060126 /nfs/dbraw/zinc/06/01/26/928060126.db2.gz NILFHGAWRWNFKM-LBPRGKRZSA-N 2 2 311.386 -1.492 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431569351 928067428 /nfs/dbraw/zinc/06/74/28/928067428.db2.gz KSNAFEXFEMSNER-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431569351 928067437 /nfs/dbraw/zinc/06/74/37/928067437.db2.gz KSNAFEXFEMSNER-CHWSQXEVSA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431569360 928067892 /nfs/dbraw/zinc/06/78/92/928067892.db2.gz KSNAFEXFEMSNER-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001431569360 928067903 /nfs/dbraw/zinc/06/79/03/928067903.db2.gz KSNAFEXFEMSNER-STQMWFEESA-N 2 2 323.397 -1.182 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001431577933 928069708 /nfs/dbraw/zinc/06/97/08/928069708.db2.gz ZPGXWGKJXRQDBI-VXGBXAGGSA-N 2 2 323.397 -1.113 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001431577933 928069718 /nfs/dbraw/zinc/06/97/18/928069718.db2.gz ZPGXWGKJXRQDBI-VXGBXAGGSA-N 2 2 323.397 -1.113 20 0 DAADLP CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001433323335 928216959 /nfs/dbraw/zinc/21/69/59/928216959.db2.gz SBECCYIRNMWWSZ-RYUDHWBXSA-N 2 2 311.386 -1.183 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482621 928356103 /nfs/dbraw/zinc/35/61/03/928356103.db2.gz PYBBGGJMHLTKSU-MXWKQRLJSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482621 928356113 /nfs/dbraw/zinc/35/61/13/928356113.db2.gz PYBBGGJMHLTKSU-MXWKQRLJSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482621 928356123 /nfs/dbraw/zinc/35/61/23/928356123.db2.gz PYBBGGJMHLTKSU-MXWKQRLJSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434482621 928356130 /nfs/dbraw/zinc/35/61/30/928356130.db2.gz PYBBGGJMHLTKSU-MXWKQRLJSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001434482618 928357406 /nfs/dbraw/zinc/35/74/06/928357406.db2.gz PYBBGGJMHLTKSU-DCAQKATOSA-N 2 2 302.375 -2.556 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001434482618 928357418 /nfs/dbraw/zinc/35/74/18/928357418.db2.gz PYBBGGJMHLTKSU-DCAQKATOSA-N 2 2 302.375 -2.556 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001437204144 928435785 /nfs/dbraw/zinc/43/57/85/928435785.db2.gz PVCRWEJYFUDOMJ-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001437204142 928436125 /nfs/dbraw/zinc/43/61/25/928436125.db2.gz PVCRWEJYFUDOMJ-SECBINFHSA-N 2 2 310.358 -1.108 20 0 DAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN(C)S(C)(=O)=O ZINC001437272837 928442130 /nfs/dbraw/zinc/44/21/30/928442130.db2.gz OWJWRFXNEHMSCK-LLVKDONJSA-N 2 2 317.415 -1.131 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001437427416 928448804 /nfs/dbraw/zinc/44/88/04/928448804.db2.gz KNSQPXIKQUDWAH-SNVBAGLBSA-N 2 2 310.358 -1.177 20 0 DAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)NC(N)=O ZINC001437589917 928465300 /nfs/dbraw/zinc/46/53/00/928465300.db2.gz NSVWYLPIZBQQHG-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(=O)NC(N)=O ZINC001437589917 928465305 /nfs/dbraw/zinc/46/53/05/928465305.db2.gz NSVWYLPIZBQQHG-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)NC(N)=O ZINC001437589917 928465310 /nfs/dbraw/zinc/46/53/10/928465310.db2.gz NSVWYLPIZBQQHG-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)NC(N)=O ZINC001437589917 928465317 /nfs/dbraw/zinc/46/53/17/928465317.db2.gz NSVWYLPIZBQQHG-JTQLQIEISA-N 2 2 315.374 -2.050 20 0 DAADLP C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001437990843 928487109 /nfs/dbraw/zinc/48/71/09/928487109.db2.gz YXGSUAIPJHBDJV-JTQLQIEISA-N 2 2 322.369 -1.073 20 0 DAADLP C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001437990843 928487115 /nfs/dbraw/zinc/48/71/15/928487115.db2.gz YXGSUAIPJHBDJV-JTQLQIEISA-N 2 2 322.369 -1.073 20 0 DAADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001438140928 928501867 /nfs/dbraw/zinc/50/18/67/928501867.db2.gz IZBQRPAMZAGYJZ-UHFFFAOYSA-N 2 2 312.414 -1.155 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001438162401 928503778 /nfs/dbraw/zinc/50/37/78/928503778.db2.gz QBKYSFXGDDFAEJ-OCCSQVGLSA-N 2 2 324.425 -1.109 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001438162404 928504513 /nfs/dbraw/zinc/50/45/13/928504513.db2.gz QBKYSFXGDDFAEJ-TZMCWYRMSA-N 2 2 324.425 -1.109 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001438211350 928507373 /nfs/dbraw/zinc/50/73/73/928507373.db2.gz HCPNBVNEXQJELL-HBNTYKKESA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001438211350 928507378 /nfs/dbraw/zinc/50/73/78/928507378.db2.gz HCPNBVNEXQJELL-HBNTYKKESA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001438211350 928507389 /nfs/dbraw/zinc/50/73/89/928507389.db2.gz HCPNBVNEXQJELL-HBNTYKKESA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001438211350 928507396 /nfs/dbraw/zinc/50/73/96/928507396.db2.gz HCPNBVNEXQJELL-HBNTYKKESA-N 2 2 311.386 -1.146 20 0 DAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC(=O)NC(N)=O ZINC001438541559 928521088 /nfs/dbraw/zinc/52/10/88/928521088.db2.gz KBEPWDRPPSRRMM-SECBINFHSA-N 2 2 310.358 -1.501 20 0 DAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC(=O)NC(N)=O ZINC001438541565 928521421 /nfs/dbraw/zinc/52/14/21/928521421.db2.gz KBEPWDRPPSRRMM-VIFPVBQESA-N 2 2 310.358 -1.501 20 0 DAADLP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001438869059 928537889 /nfs/dbraw/zinc/53/78/89/928537889.db2.gz VVCZQYYLAMRBQN-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001438869059 928537894 /nfs/dbraw/zinc/53/78/94/928537894.db2.gz VVCZQYYLAMRBQN-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001438869059 928537899 /nfs/dbraw/zinc/53/78/99/928537899.db2.gz VVCZQYYLAMRBQN-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CN(CC[NH+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001438869059 928537905 /nfs/dbraw/zinc/53/79/05/928537905.db2.gz VVCZQYYLAMRBQN-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001439011533 928574194 /nfs/dbraw/zinc/57/41/94/928574194.db2.gz FKSJCQATWMHURR-MCIONIFRSA-N 2 2 315.414 -1.047 20 0 DAADLP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001439016737 928576661 /nfs/dbraw/zinc/57/66/61/928576661.db2.gz LEEMQHZFFMIQEV-QWHCGFSZSA-N 2 2 323.397 -1.039 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001439020219 928580082 /nfs/dbraw/zinc/58/00/82/928580082.db2.gz PZJOHNDGSNPALU-VXGBXAGGSA-N 2 2 309.370 -1.382 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001439057230 928594641 /nfs/dbraw/zinc/59/46/41/928594641.db2.gz MRDVGNCRORAJLL-ZDUSSCGKSA-N 2 2 323.397 -1.038 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001439262447 928609829 /nfs/dbraw/zinc/60/98/29/928609829.db2.gz FXTMORSWQRHULU-VIFPVBQESA-N 2 2 310.358 -1.108 20 0 DAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001439277110 928610072 /nfs/dbraw/zinc/61/00/72/928610072.db2.gz NIMBCOXYEIMHJX-VIFPVBQESA-N 2 2 310.358 -1.358 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837452 928647031 /nfs/dbraw/zinc/64/70/31/928647031.db2.gz YJYUCEFEKZBMGG-HZMBPMFUSA-N 2 2 311.386 -1.144 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(=O)NC(N)=O)C1 ZINC001439837452 928647034 /nfs/dbraw/zinc/64/70/34/928647034.db2.gz YJYUCEFEKZBMGG-HZMBPMFUSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439837452 928647039 /nfs/dbraw/zinc/64/70/39/928647039.db2.gz YJYUCEFEKZBMGG-HZMBPMFUSA-N 2 2 311.386 -1.144 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439837452 928647044 /nfs/dbraw/zinc/64/70/44/928647044.db2.gz YJYUCEFEKZBMGG-HZMBPMFUSA-N 2 2 311.386 -1.144 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440015765 928665249 /nfs/dbraw/zinc/66/52/49/928665249.db2.gz YPKAUQPWRXBGKJ-HNNXBMFYSA-N 2 2 314.430 -1.031 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440015765 928665255 /nfs/dbraw/zinc/66/52/55/928665255.db2.gz YPKAUQPWRXBGKJ-HNNXBMFYSA-N 2 2 314.430 -1.031 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001440016082 928665422 /nfs/dbraw/zinc/66/54/22/928665422.db2.gz YVOLHENSPJNDII-CJNGLKHVSA-N 2 2 324.425 -1.230 20 0 DAADLP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001440016082 928665429 /nfs/dbraw/zinc/66/54/29/928665429.db2.gz YVOLHENSPJNDII-CJNGLKHVSA-N 2 2 324.425 -1.230 20 0 DAADLP Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001440010206 928667530 /nfs/dbraw/zinc/66/75/30/928667530.db2.gz MCDXLFIXVALVDP-CQSZACIVSA-N 2 2 310.402 -1.180 20 0 DAADLP Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001440010206 928667535 /nfs/dbraw/zinc/66/75/35/928667535.db2.gz MCDXLFIXVALVDP-CQSZACIVSA-N 2 2 310.402 -1.180 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 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309.370 -1.360 20 0 DAADLP CC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445283083 929215589 /nfs/dbraw/zinc/21/55/89/929215589.db2.gz ZJMCTHIZOHZNOA-SNVBAGLBSA-N 2 2 311.386 -1.066 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445372122 929217499 /nfs/dbraw/zinc/21/74/99/929217499.db2.gz JWJYRYCWLFHCHC-NXEZZACHSA-N 2 2 315.374 -2.133 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445372122 929217512 /nfs/dbraw/zinc/21/75/12/929217512.db2.gz JWJYRYCWLFHCHC-NXEZZACHSA-N 2 2 315.374 -2.133 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445373184 929218395 /nfs/dbraw/zinc/21/83/95/929218395.db2.gz LQYDMOQABFPMBJ-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445373184 929218407 /nfs/dbraw/zinc/21/84/07/929218407.db2.gz LQYDMOQABFPMBJ-NEPJUHHUSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001445656170 929247181 /nfs/dbraw/zinc/24/71/81/929247181.db2.gz XWNLEGARDURNRT-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)C1 ZINC001445657918 929247861 /nfs/dbraw/zinc/24/78/61/929247861.db2.gz OQNRBXMPLKJEBJ-WDEREUQCSA-N 2 2 311.390 -1.475 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)C1 ZINC001445657918 929247875 /nfs/dbraw/zinc/24/78/75/929247875.db2.gz OQNRBXMPLKJEBJ-WDEREUQCSA-N 2 2 311.390 -1.475 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001446450819 929293565 /nfs/dbraw/zinc/29/35/65/929293565.db2.gz AUPUDWFKHVTAIL-JTQLQIEISA-N 2 2 308.342 -1.341 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446781776 929321677 /nfs/dbraw/zinc/32/16/77/929321677.db2.gz YUXHBCKNHZHYTP-SWLSCSKDSA-N 2 2 321.381 -1.285 20 0 DAADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446781776 929321689 /nfs/dbraw/zinc/32/16/89/929321689.db2.gz YUXHBCKNHZHYTP-SWLSCSKDSA-N 2 2 321.381 -1.285 20 0 DAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001446974271 929357242 /nfs/dbraw/zinc/35/72/42/929357242.db2.gz QQBRGKCLDMXASD-UWVGGRQHSA-N 2 2 322.369 -1.169 20 0 DAADLP CC[C@H](C(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001447005182 929359489 /nfs/dbraw/zinc/35/94/89/929359489.db2.gz FWMLYIUDUFTSPH-BXUZGUMPSA-N 2 2 300.403 -1.245 20 0 DAADLP CC[C@H](C(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001447005182 929359503 /nfs/dbraw/zinc/35/95/03/929359503.db2.gz FWMLYIUDUFTSPH-BXUZGUMPSA-N 2 2 300.403 -1.245 20 0 DAADLP CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)Cn2cc[nH+]c2)C1=O ZINC001447050182 929363816 /nfs/dbraw/zinc/36/38/16/929363816.db2.gz IDYXFHANCORAIA-ZDUSSCGKSA-N 2 2 323.397 -1.086 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001447267515 929378828 /nfs/dbraw/zinc/37/88/28/929378828.db2.gz NIQRWISCBJKHSO-UHFFFAOYSA-N 2 2 308.342 -1.294 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001447309302 929383453 /nfs/dbraw/zinc/38/34/53/929383453.db2.gz PWHMIFLEUZMKLZ-AAEUAGOBSA-N 2 2 323.397 -1.086 20 0 DAADLP CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001447625271 929403353 /nfs/dbraw/zinc/40/33/53/929403353.db2.gz ULOGEGQEJXOTLO-LBPRGKRZSA-N 2 2 323.397 -1.039 20 0 DAADLP CNC(=O)C[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001447736317 929410351 /nfs/dbraw/zinc/41/03/51/929410351.db2.gz BNDGSERHIUHHTI-UHFFFAOYSA-N 2 2 312.414 -1.229 20 0 DAADLP Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)nc1=O ZINC001448424063 929451410 /nfs/dbraw/zinc/45/14/10/929451410.db2.gz AHIJXMZICWWULL-CNDDSTCGSA-N 2 2 322.413 -1.146 20 0 DAADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)nc1=O ZINC001448424063 929451416 /nfs/dbraw/zinc/45/14/16/929451416.db2.gz AHIJXMZICWWULL-CNDDSTCGSA-N 2 2 322.413 -1.146 20 0 DAADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001448730392 929467519 /nfs/dbraw/zinc/46/75/19/929467519.db2.gz JZBMCTCEGHMKID-DTWKUNHWSA-N 2 2 310.358 -1.028 20 0 DAADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC001448822001 929480241 /nfs/dbraw/zinc/48/02/41/929480241.db2.gz ALRCQKMROSRSEL-KGLIPLIRSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC001448822001 929480246 /nfs/dbraw/zinc/48/02/46/929480246.db2.gz ALRCQKMROSRSEL-KGLIPLIRSA-N 2 2 323.397 -1.318 20 0 DAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)c[nH+]1 ZINC001448856953 929496759 /nfs/dbraw/zinc/49/67/59/929496759.db2.gz BFUVPQJFKYAFMY-RYUDHWBXSA-N 2 2 323.397 -1.118 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001448876572 929504309 /nfs/dbraw/zinc/50/43/09/929504309.db2.gz FCXYVGKNODUCHZ-RYUDHWBXSA-N 2 2 323.397 -1.350 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001448875207 929505384 /nfs/dbraw/zinc/50/53/84/929505384.db2.gz DBBQIGIWYGHAIG-NEPJUHHUSA-N 2 2 323.397 -1.302 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001448919439 929516413 /nfs/dbraw/zinc/51/64/13/929516413.db2.gz JQWJMTVFZIQVLB-VXGBXAGGSA-N 2 2 323.397 -1.065 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001448934561 929519985 /nfs/dbraw/zinc/51/99/85/929519985.db2.gz DLZCIGAXTNNQFP-LLVKDONJSA-N 2 2 309.370 -1.394 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950567 929525450 /nfs/dbraw/zinc/52/54/50/929525450.db2.gz IAFKEVBIYVFSQT-QWRGUYRKSA-N 2 2 323.401 -1.474 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C2CC2)C1 ZINC001448950567 929525458 /nfs/dbraw/zinc/52/54/58/929525458.db2.gz IAFKEVBIYVFSQT-QWRGUYRKSA-N 2 2 323.401 -1.474 20 0 DAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCn1cc[nH+]c1 ZINC001449129850 929547843 /nfs/dbraw/zinc/54/78/43/929547843.db2.gz DZRJBDBJYYJNCN-CHWSQXEVSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001449140971 929551069 /nfs/dbraw/zinc/55/10/69/929551069.db2.gz ZIZAQORNTGDPNR-CMPLNLGQSA-N 2 2 309.370 -1.660 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001449150229 929553563 /nfs/dbraw/zinc/55/35/63/929553563.db2.gz QLJFHAURNQXMJA-JQWIXIFHSA-N 2 2 311.386 -1.257 20 0 DAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001449150229 929553576 /nfs/dbraw/zinc/55/35/76/929553576.db2.gz QLJFHAURNQXMJA-JQWIXIFHSA-N 2 2 311.386 -1.257 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001449150224 929554553 /nfs/dbraw/zinc/55/45/53/929554553.db2.gz QLJFHAURNQXMJA-CMPLNLGQSA-N 2 2 311.386 -1.257 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001449150224 929554562 /nfs/dbraw/zinc/55/45/62/929554562.db2.gz QLJFHAURNQXMJA-CMPLNLGQSA-N 2 2 311.386 -1.257 20 0 DAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001449154390 929556412 /nfs/dbraw/zinc/55/64/12/929556412.db2.gz BMGCJEPPQHASGW-UWVGGRQHSA-N 2 2 311.386 -1.030 20 0 DAADLP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214493 929570432 /nfs/dbraw/zinc/57/04/32/929570432.db2.gz NSSYNNHKAYHRIT-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001449214493 929570438 /nfs/dbraw/zinc/57/04/38/929570438.db2.gz NSSYNNHKAYHRIT-QWHCGFSZSA-N 2 2 323.397 -1.087 20 0 DAADLP CCC[N@H+](C)CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001450315322 929620871 /nfs/dbraw/zinc/62/08/71/929620871.db2.gz ZXHKPBRVLPRBIA-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001450315322 929620879 /nfs/dbraw/zinc/62/08/79/929620879.db2.gz ZXHKPBRVLPRBIA-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP CCC[NH+](C)CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001450315322 929620895 /nfs/dbraw/zinc/62/08/95/929620895.db2.gz ZXHKPBRVLPRBIA-CYBMUJFWSA-N 2 2 312.414 -1.014 20 0 DAADLP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001513620822 929643530 /nfs/dbraw/zinc/64/35/30/929643530.db2.gz KBLJBULXHAKXEV-NEPJUHHUSA-N 2 2 323.397 -1.018 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087563 929665745 /nfs/dbraw/zinc/66/57/45/929665745.db2.gz UFJUMHCRFYSRBI-HIFRSBDPSA-N 2 2 307.442 -1.167 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522087563 929665750 /nfs/dbraw/zinc/66/57/50/929665750.db2.gz UFJUMHCRFYSRBI-HIFRSBDPSA-N 2 2 307.442 -1.167 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620775 930033084 /nfs/dbraw/zinc/03/30/84/930033084.db2.gz LMPFHZCSRKIDMX-AAEUAGOBSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620775 930033097 /nfs/dbraw/zinc/03/30/97/930033097.db2.gz LMPFHZCSRKIDMX-AAEUAGOBSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620781 930033572 /nfs/dbraw/zinc/03/35/72/930033572.db2.gz LMPFHZCSRKIDMX-DGCLKSJQSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001548620781 930033577 /nfs/dbraw/zinc/03/35/77/930033577.db2.gz LMPFHZCSRKIDMX-DGCLKSJQSA-N 2 2 309.414 -1.559 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731091 930041566 /nfs/dbraw/zinc/04/15/66/930041566.db2.gz DQDGOVAXDHDUOL-UONOGXRCSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001548731091 930041574 /nfs/dbraw/zinc/04/15/74/930041574.db2.gz DQDGOVAXDHDUOL-UONOGXRCSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001548731091 930041583 /nfs/dbraw/zinc/04/15/83/930041583.db2.gz DQDGOVAXDHDUOL-UONOGXRCSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001548731091 930041593 /nfs/dbraw/zinc/04/15/93/930041593.db2.gz DQDGOVAXDHDUOL-UONOGXRCSA-N 2 2 324.425 -1.060 20 0 DAADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735572 930043129 /nfs/dbraw/zinc/04/31/29/930043129.db2.gz LOVFEXCFZZCAQC-KBPBESRZSA-N 2 2 323.441 -1.393 20 0 DAADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001548735572 930043139 /nfs/dbraw/zinc/04/31/39/930043139.db2.gz LOVFEXCFZZCAQC-KBPBESRZSA-N 2 2 323.441 -1.393 20 0 DAADLP Cn1cc([C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@@H]2[NH3+])cn1 ZINC001549049263 930050268 /nfs/dbraw/zinc/05/02/68/930050268.db2.gz DUVCMWMWMWWVLF-NEPJUHHUSA-N 2 2 306.370 -1.895 20 0 DAADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549301150 930052477 /nfs/dbraw/zinc/05/24/77/930052477.db2.gz PPAQIBVXDPDBCC-TUAOUCFPSA-N 2 2 310.398 -1.051 20 0 DAADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1n1ccnn1 ZINC001549672688 930058012 /nfs/dbraw/zinc/05/80/12/930058012.db2.gz 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20 0 DAADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1C ZINC000595955593 373003130 /nfs/dbraw/zinc/00/31/30/373003130.db2.gz GVRBIABTSRDGOI-LLVKDONJSA-N 2 2 324.385 -1.054 20 0 DAADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1C ZINC000595955593 373003140 /nfs/dbraw/zinc/00/31/40/373003140.db2.gz GVRBIABTSRDGOI-LLVKDONJSA-N 2 2 324.385 -1.054 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H]1C[NH2+]CCO1 ZINC000595894273 373004065 /nfs/dbraw/zinc/00/40/65/373004065.db2.gz WLOBYHAXQOUPDW-ZDUSSCGKSA-N 2 2 301.387 -1.218 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595986051 373008175 /nfs/dbraw/zinc/00/81/75/373008175.db2.gz HSLXXBOZTXQNAJ-RYUDHWBXSA-N 2 2 323.397 -2.079 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595986049 373008898 /nfs/dbraw/zinc/00/88/98/373008898.db2.gz HSLXXBOZTXQNAJ-NEPJUHHUSA-N 2 2 323.397 -2.079 20 0 DAADLP COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907995 372986810 /nfs/dbraw/zinc/98/68/10/372986810.db2.gz XXFWVQLWEGLGRA-ZJUUUORDSA-N 2 2 300.359 -1.845 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000593918777 372987731 /nfs/dbraw/zinc/98/77/31/372987731.db2.gz IVOLHPNOBYVQMP-LBPRGKRZSA-N 2 2 317.386 -1.316 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016457 372988477 /nfs/dbraw/zinc/98/84/77/372988477.db2.gz XMKYRKYXQPJPAL-XQQFMLRXSA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016457 372988482 /nfs/dbraw/zinc/98/84/82/372988482.db2.gz XMKYRKYXQPJPAL-XQQFMLRXSA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016457 372988490 /nfs/dbraw/zinc/98/84/90/372988490.db2.gz XMKYRKYXQPJPAL-XQQFMLRXSA-N 2 2 304.387 -1.219 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016457 372988497 /nfs/dbraw/zinc/98/84/97/372988497.db2.gz XMKYRKYXQPJPAL-XQQFMLRXSA-N 2 2 304.387 -1.219 20 0 DAADLP COC(=O)CNC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989379 373066075 /nfs/dbraw/zinc/06/60/75/373066075.db2.gz NGPYPZAYBAJMEZ-UHFFFAOYSA-N 2 2 314.386 -1.629 20 0 DAADLP COC(=O)CNC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989379 373066081 /nfs/dbraw/zinc/06/60/81/373066081.db2.gz NGPYPZAYBAJMEZ-UHFFFAOYSA-N 2 2 314.386 -1.629 20 0 DAADLP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000337441345 373101274 /nfs/dbraw/zinc/10/12/74/373101274.db2.gz ZSOUYIXKNLPOIY-KGLIPLIRSA-N 2 2 314.430 -1.175 20 0 DAADLP C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000337441345 373101281 /nfs/dbraw/zinc/10/12/81/373101281.db2.gz ZSOUYIXKNLPOIY-KGLIPLIRSA-N 2 2 314.430 -1.175 20 0 DAADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000337441345 373101291 /nfs/dbraw/zinc/10/12/91/373101291.db2.gz ZSOUYIXKNLPOIY-KGLIPLIRSA-N 2 2 314.430 -1.175 20 0 DAADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000337441345 373101300 /nfs/dbraw/zinc/10/13/00/373101300.db2.gz ZSOUYIXKNLPOIY-KGLIPLIRSA-N 2 2 314.430 -1.175 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313863559 373110173 /nfs/dbraw/zinc/11/01/73/373110173.db2.gz JZIBVTPMYNVSEG-STQMWFEESA-N 2 2 323.459 -1.109 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313863559 373110182 /nfs/dbraw/zinc/11/01/82/373110182.db2.gz JZIBVTPMYNVSEG-STQMWFEESA-N 2 2 323.459 -1.109 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313863559 373110191 /nfs/dbraw/zinc/11/01/91/373110191.db2.gz JZIBVTPMYNVSEG-STQMWFEESA-N 2 2 323.459 -1.109 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313863556 373110482 /nfs/dbraw/zinc/11/04/82/373110482.db2.gz JZIBVTPMYNVSEG-CHWSQXEVSA-N 2 2 323.459 -1.109 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313863556 373110490 /nfs/dbraw/zinc/11/04/90/373110490.db2.gz JZIBVTPMYNVSEG-CHWSQXEVSA-N 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COCCN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638275971 373211254 /nfs/dbraw/zinc/21/12/54/373211254.db2.gz CQHDBVJKQSCXQV-GFCCVEGCSA-N 2 2 300.403 -1.157 20 0 DAADLP C[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1=O ZINC000638236301 373211820 /nfs/dbraw/zinc/21/18/20/373211820.db2.gz BLXWVQUVEWSBGQ-CHWSQXEVSA-N 2 2 309.414 -1.687 20 0 DAADLP CC[NH+]1CCN(CCNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638137360 373211975 /nfs/dbraw/zinc/21/19/75/373211975.db2.gz JECGJPAMXFJJHZ-ZDUSSCGKSA-N 2 2 311.430 -1.440 20 0 DAADLP Cn1cc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cn1 ZINC000638140129 373212069 /nfs/dbraw/zinc/21/20/69/373212069.db2.gz KKVOWAZRTIWSOD-UHFFFAOYSA-N 2 2 306.414 -1.031 20 0 DAADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638409522 373217311 /nfs/dbraw/zinc/21/73/11/373217311.db2.gz OVTLXMIBIPERPF-CYBMUJFWSA-N 3 2 313.446 -1.194 20 0 DAADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638409522 373217315 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COCC[N@H+]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C[C@@H]1C ZINC000638105252 373208880 /nfs/dbraw/zinc/20/88/80/373208880.db2.gz GAWSKXZCQKZMOQ-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH2+]CC1=O ZINC000638102470 373209095 /nfs/dbraw/zinc/20/90/95/373209095.db2.gz HXXIWHGPNGJRKM-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766918 373276377 /nfs/dbraw/zinc/27/63/77/373276377.db2.gz ZALFSYDDWGDRTR-LLVKDONJSA-N 2 2 308.448 -1.076 20 0 DAADLP C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766918 373276381 /nfs/dbraw/zinc/27/63/81/373276381.db2.gz ZALFSYDDWGDRTR-LLVKDONJSA-N 2 2 308.448 -1.076 20 0 DAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488549 373249691 /nfs/dbraw/zinc/24/96/91/373249691.db2.gz BNWMTPYHICGQAD-LBPRGKRZSA-N 2 2 316.402 -1.695 20 0 DAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488549 373249694 /nfs/dbraw/zinc/24/96/94/373249694.db2.gz BNWMTPYHICGQAD-LBPRGKRZSA-N 2 2 316.402 -1.695 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC000617763622 373278514 /nfs/dbraw/zinc/27/85/14/373278514.db2.gz VYGLXEKHXMTQHW-UHFFFAOYSA-N 2 2 311.390 -1.623 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC000617763622 373278520 /nfs/dbraw/zinc/27/85/20/373278520.db2.gz VYGLXEKHXMTQHW-UHFFFAOYSA-N 2 2 311.390 -1.623 20 0 DAADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000051763373 373254627 /nfs/dbraw/zinc/25/46/27/373254627.db2.gz IIORINSNXJVMMH-UHFFFAOYSA-N 2 2 312.414 -1.059 20 0 DAADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803976 373300130 /nfs/dbraw/zinc/30/01/30/373300130.db2.gz RWOOTGCHZNAYMY-STQMWFEESA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572060162 373329612 /nfs/dbraw/zinc/32/96/12/373329612.db2.gz STEANVRRPKANHP-VOAKCMCISA-N 2 2 310.398 -1.086 20 0 DAADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572060162 373329616 /nfs/dbraw/zinc/32/96/16/373329616.db2.gz STEANVRRPKANHP-VOAKCMCISA-N 2 2 310.398 -1.086 20 0 DAADLP C[N@H+](CCCN1C(=O)CNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640057822 373309576 /nfs/dbraw/zinc/30/95/76/373309576.db2.gz DVTJBLKRZPUDBZ-UHFFFAOYSA-N 2 2 311.386 -1.366 20 0 DAADLP C[N@@H+](CCCN1C(=O)CNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640057822 373309587 /nfs/dbraw/zinc/30/95/87/373309587.db2.gz DVTJBLKRZPUDBZ-UHFFFAOYSA-N 2 2 311.386 -1.366 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643481014 373320184 /nfs/dbraw/zinc/32/01/84/373320184.db2.gz BQYWNMQSYHMVLE-BETUJISGSA-N 2 2 310.398 -1.545 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643481133 373321288 /nfs/dbraw/zinc/32/12/88/373321288.db2.gz UEXYETIDELVDPS-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP CC(C)Nc1nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000420253380 373322689 /nfs/dbraw/zinc/32/26/89/373322689.db2.gz DLRNCFSPSYSABA-NWDGAFQWSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420253380 373322714 /nfs/dbraw/zinc/32/27/14/373322714.db2.gz DLRNCFSPSYSABA-NWDGAFQWSA-N 2 2 321.429 -1.014 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000420253380 373322726 /nfs/dbraw/zinc/32/27/26/373322726.db2.gz DLRNCFSPSYSABA-NWDGAFQWSA-N 2 2 321.429 -1.014 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000611217025 373326648 /nfs/dbraw/zinc/32/66/48/373326648.db2.gz WAQBQOIJAVHKNI-QWHCGFSZSA-N 2 2 321.381 -1.000 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000611217025 373326652 /nfs/dbraw/zinc/32/66/52/373326652.db2.gz WAQBQOIJAVHKNI-QWHCGFSZSA-N 2 2 321.381 -1.000 20 0 DAADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000611217025 373326654 /nfs/dbraw/zinc/32/66/54/373326654.db2.gz WAQBQOIJAVHKNI-QWHCGFSZSA-N 2 2 321.381 -1.000 20 0 DAADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000611217025 373326656 /nfs/dbraw/zinc/32/66/56/373326656.db2.gz WAQBQOIJAVHKNI-QWHCGFSZSA-N 2 2 321.381 -1.000 20 0 DAADLP CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765149 373281330 /nfs/dbraw/zinc/28/13/30/373281330.db2.gz VSAHOLFQWUJRBM-UHFFFAOYSA-N 2 2 308.448 -1.123 20 0 DAADLP CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765149 373281340 /nfs/dbraw/zinc/28/13/40/373281340.db2.gz VSAHOLFQWUJRBM-UHFFFAOYSA-N 2 2 308.448 -1.123 20 0 DAADLP CN(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)S(C)(=O)=O ZINC000617768292 373281452 /nfs/dbraw/zinc/28/14/52/373281452.db2.gz XPSBGQXPZJTUIE-UHFFFAOYSA-N 2 2 308.448 -1.123 20 0 DAADLP CN(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)S(C)(=O)=O ZINC000617768292 373281462 /nfs/dbraw/zinc/28/14/62/373281462.db2.gz XPSBGQXPZJTUIE-UHFFFAOYSA-N 2 2 308.448 -1.123 20 0 DAADLP Cn1c(=O)cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n(C)c1=O ZINC000639762196 373284418 /nfs/dbraw/zinc/28/44/18/373284418.db2.gz KNFHNOPPLMJIIM-OAHLLOKOSA-N 2 2 310.398 -1.028 20 0 DAADLP Cn1c(=O)cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n(C)c1=O ZINC000639762196 373284422 /nfs/dbraw/zinc/28/44/22/373284422.db2.gz KNFHNOPPLMJIIM-OAHLLOKOSA-N 2 2 310.398 -1.028 20 0 DAADLP O=C(CNC(=O)[C@@H]1CC12CC[NH2+]CC2)NCC[NH+]1CCOCC1 ZINC000261971150 373332263 /nfs/dbraw/zinc/33/22/63/373332263.db2.gz UIIMZOMZGZMOLP-ZDUSSCGKSA-N 2 2 324.425 -1.059 20 0 DAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262317755 373333611 /nfs/dbraw/zinc/33/36/11/373333611.db2.gz QZRWQRUXFJORNI-OCCSQVGLSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262556207 373336052 /nfs/dbraw/zinc/33/60/52/373336052.db2.gz UZVSIDGLBPNFBL-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000332951067 373341126 /nfs/dbraw/zinc/34/11/26/373341126.db2.gz WCBGJDFYSASACA-MGPQQGTHSA-N 2 2 311.430 -1.043 20 0 DAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000332951067 373341132 /nfs/dbraw/zinc/34/11/32/373341132.db2.gz WCBGJDFYSASACA-MGPQQGTHSA-N 2 2 311.430 -1.043 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332951067 373341139 /nfs/dbraw/zinc/34/11/39/373341139.db2.gz WCBGJDFYSASACA-MGPQQGTHSA-N 2 2 311.430 -1.043 20 0 DAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332951067 373341145 /nfs/dbraw/zinc/34/11/45/373341145.db2.gz WCBGJDFYSASACA-MGPQQGTHSA-N 2 2 311.430 -1.043 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000574988034 373342026 /nfs/dbraw/zinc/34/20/26/373342026.db2.gz DMADLJQSGBEJBV-UHFFFAOYSA-N 2 2 323.441 -1.249 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000574988034 373342032 /nfs/dbraw/zinc/34/20/32/373342032.db2.gz DMADLJQSGBEJBV-UHFFFAOYSA-N 2 2 323.441 -1.249 20 0 DAADLP Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000093177569 373363650 /nfs/dbraw/zinc/36/36/50/373363650.db2.gz NGJLZZNQIHSTIS-UHFFFAOYSA-N 2 2 305.382 -1.088 20 0 DAADLP Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000093177569 373363654 /nfs/dbraw/zinc/36/36/54/373363654.db2.gz NGJLZZNQIHSTIS-UHFFFAOYSA-N 2 2 305.382 -1.088 20 0 DAADLP C[NH+]1CCN(Cc2cn(C[C@H](O)C[NH+]3CCOCC3)nn2)CC1 ZINC000641207241 373418572 /nfs/dbraw/zinc/41/85/72/373418572.db2.gz HJMZEWVURCYIOX-OAHLLOKOSA-N 2 2 324.429 -1.281 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC1=O ZINC000628917313 373381206 /nfs/dbraw/zinc/38/12/06/373381206.db2.gz MMQSNNUNTWUOBR-STQMWFEESA-N 2 2 312.414 -1.157 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC1=O ZINC000628917313 373381218 /nfs/dbraw/zinc/38/12/18/373381218.db2.gz MMQSNNUNTWUOBR-STQMWFEESA-N 2 2 312.414 -1.157 20 0 DAADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629518774 373388976 /nfs/dbraw/zinc/38/89/76/373388976.db2.gz OPOIPPSFZSRKRY-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629518774 373388986 /nfs/dbraw/zinc/38/89/86/373388986.db2.gz OPOIPPSFZSRKRY-LBPRGKRZSA-N 2 2 318.443 -1.226 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000629607187 373399527 /nfs/dbraw/zinc/39/95/27/373399527.db2.gz QUGJFQXJYDYKTJ-STQMWFEESA-N 2 2 301.387 -1.484 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCOC1C[NH2+]C1 ZINC000629606890 373399942 /nfs/dbraw/zinc/39/99/42/373399942.db2.gz OQIASINDPLLSDY-LBPRGKRZSA-N 2 2 301.387 -1.484 20 0 DAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000629607184 373400591 /nfs/dbraw/zinc/40/05/91/373400591.db2.gz QUGJFQXJYDYKTJ-CHWSQXEVSA-N 2 2 301.387 -1.484 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000629607186 373401421 /nfs/dbraw/zinc/40/14/21/373401421.db2.gz QUGJFQXJYDYKTJ-QWHCGFSZSA-N 2 2 301.387 -1.484 20 0 DAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627214817 373462114 /nfs/dbraw/zinc/46/21/14/373462114.db2.gz ARTHXALBJHKMQN-UHFFFAOYSA-N 2 2 315.418 -1.057 20 0 DAADLP CN(CCCNC(=O)C[N@H+](C)C1CC([NH3+])C1)S(C)(=O)=O ZINC000564989539 373516873 /nfs/dbraw/zinc/51/68/73/373516873.db2.gz PZJXOTQEXNTQOY-UHFFFAOYSA-N 2 2 306.432 -1.194 20 0 DAADLP CN(CCCNC(=O)C[N@@H+](C)C1CC([NH3+])C1)S(C)(=O)=O ZINC000564989539 373516880 /nfs/dbraw/zinc/51/68/80/373516880.db2.gz PZJXOTQEXNTQOY-UHFFFAOYSA-N 2 2 306.432 -1.194 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000565303038 373520459 /nfs/dbraw/zinc/52/04/59/373520459.db2.gz PVWPAMRTXRDRAM-LBPRGKRZSA-N 2 2 300.403 -1.063 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000565303038 373520465 /nfs/dbraw/zinc/52/04/65/373520465.db2.gz PVWPAMRTXRDRAM-LBPRGKRZSA-N 2 2 300.403 -1.063 20 0 DAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000565302865 373520848 /nfs/dbraw/zinc/52/08/48/373520848.db2.gz PVWPAMRTXRDRAM-GFCCVEGCSA-N 2 2 300.403 -1.063 20 0 DAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000565302865 373520864 /nfs/dbraw/zinc/52/08/64/373520864.db2.gz PVWPAMRTXRDRAM-GFCCVEGCSA-N 2 2 300.403 -1.063 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566413762 373527933 /nfs/dbraw/zinc/52/79/33/373527933.db2.gz IQIAFWSALROSMK-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000566413762 373527941 /nfs/dbraw/zinc/52/79/41/373527941.db2.gz IQIAFWSALROSMK-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000566413762 373527951 /nfs/dbraw/zinc/52/79/51/373527951.db2.gz IQIAFWSALROSMK-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413762 373527961 /nfs/dbraw/zinc/52/79/61/373527961.db2.gz IQIAFWSALROSMK-QWHCGFSZSA-N 2 2 323.459 -1.061 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C[C@@H](O)C[NH3+])C1 ZINC000566302759 373528494 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20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640450 781976906 /nfs/dbraw/zinc/97/69/06/781976906.db2.gz YOWJOQFBRYZUPZ-QJPTWQEYSA-N 2 2 312.370 -1.489 20 0 DAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000653112572 409328420 /nfs/dbraw/zinc/32/84/20/409328420.db2.gz BOHDVVVBDMKDSE-ZDUSSCGKSA-N 2 2 312.414 -1.059 20 0 DAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636746318 409386330 /nfs/dbraw/zinc/38/63/30/409386330.db2.gz GPNRJIZTIWPAGC-ZIAGYGMSSA-N 2 2 313.446 -1.012 20 0 DAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636746318 409386334 /nfs/dbraw/zinc/38/63/34/409386334.db2.gz GPNRJIZTIWPAGC-ZIAGYGMSSA-N 2 2 313.446 -1.012 20 0 DAADLP O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647878555 409400926 /nfs/dbraw/zinc/40/09/26/409400926.db2.gz QFFHUUFDBFOKNA-ZDUSSCGKSA-N 2 2 318.443 -1.210 20 0 DAADLP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000644885462 409388825 /nfs/dbraw/zinc/38/88/25/409388825.db2.gz OBOGXEYWXHWHOU-KBPBESRZSA-N 2 2 312.414 -1.814 20 0 DAADLP O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000644885462 409388830 /nfs/dbraw/zinc/38/88/30/409388830.db2.gz OBOGXEYWXHWHOU-KBPBESRZSA-N 2 2 312.414 -1.814 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000652696139 409394479 /nfs/dbraw/zinc/39/44/79/409394479.db2.gz HCTHWYCZGQVSDR-GFCCVEGCSA-N 2 2 316.402 -1.743 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000652699830 409398586 /nfs/dbraw/zinc/39/85/86/409398586.db2.gz FHSHEVUCQKHRBR-GFCCVEGCSA-N 2 2 316.402 -1.743 20 0 DAADLP COCCC[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638121571 409404315 /nfs/dbraw/zinc/40/43/15/409404315.db2.gz GJXPSXFGZGGOGY-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP COCCC[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638121571 409404321 /nfs/dbraw/zinc/40/43/21/409404321.db2.gz GJXPSXFGZGGOGY-LBPRGKRZSA-N 2 2 300.403 -1.109 20 0 DAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342134241 409415193 /nfs/dbraw/zinc/41/51/93/409415193.db2.gz PNJRYZUALHNHQM-LBPRGKRZSA-N 2 2 310.398 -1.403 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000330549272 409418329 /nfs/dbraw/zinc/41/83/29/409418329.db2.gz RHXCPJNWZJGQMX-STQMWFEESA-N 2 2 301.387 -1.532 20 0 DAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000330549272 409418334 /nfs/dbraw/zinc/41/83/34/409418334.db2.gz RHXCPJNWZJGQMX-STQMWFEESA-N 2 2 301.387 -1.532 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343298451 409427880 /nfs/dbraw/zinc/42/78/80/409427880.db2.gz NNHLMMGOJKIHBY-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343298451 409427883 /nfs/dbraw/zinc/42/78/83/409427883.db2.gz NNHLMMGOJKIHBY-UHFFFAOYSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000346834655 409443924 /nfs/dbraw/zinc/44/39/24/409443924.db2.gz SRXVIEJWVHMDIN-GMTAPVOTSA-N 2 2 312.370 -1.750 20 0 DAADLP C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000346834655 409443927 /nfs/dbraw/zinc/44/39/27/409443927.db2.gz SRXVIEJWVHMDIN-GMTAPVOTSA-N 2 2 312.370 -1.750 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000519711808 409456928 /nfs/dbraw/zinc/45/69/28/409456928.db2.gz KRYZBWJZCMBXOF-CYBMUJFWSA-N 2 2 303.366 -1.014 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)CCO)C1 ZINC000355507317 409484710 /nfs/dbraw/zinc/48/47/10/409484710.db2.gz NKBCXHYYMWFIPT-CQSZACIVSA-N 2 2 317.430 -1.254 20 0 DAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)CCO)C1 ZINC000355507317 409484714 /nfs/dbraw/zinc/48/47/14/409484714.db2.gz NKBCXHYYMWFIPT-CQSZACIVSA-N 2 2 317.430 -1.254 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000358557247 409495708 /nfs/dbraw/zinc/49/57/08/409495708.db2.gz GVNZJFINXMQSHR-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000358557247 409495715 /nfs/dbraw/zinc/49/57/15/409495715.db2.gz GVNZJFINXMQSHR-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000357241869 409489719 /nfs/dbraw/zinc/48/97/19/409489719.db2.gz ODROOUMAGSRZAY-QWHCGFSZSA-N 2 2 312.414 -1.027 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000516177399 409557149 /nfs/dbraw/zinc/55/71/49/409557149.db2.gz JHAKUVCVXUJOFU-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000516177399 409557163 /nfs/dbraw/zinc/55/71/63/409557163.db2.gz JHAKUVCVXUJOFU-ZDUSSCGKSA-N 2 2 312.414 -1.109 20 0 DAADLP CNS(=O)(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000361382298 409509964 /nfs/dbraw/zinc/50/99/64/409509964.db2.gz UPLWNYDRFKPPPE-CYBMUJFWSA-N 2 2 320.459 -1.040 20 0 DAADLP CNS(=O)(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000361382298 409509967 /nfs/dbraw/zinc/50/99/67/409509967.db2.gz UPLWNYDRFKPPPE-CYBMUJFWSA-N 2 2 320.459 -1.040 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(=O)NC)CC2)C1 ZINC000372680855 409515242 /nfs/dbraw/zinc/51/52/42/409515242.db2.gz NOCUNKUPZORDOQ-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(=O)NC)CC2)C1 ZINC000372680855 409515246 /nfs/dbraw/zinc/51/52/46/409515246.db2.gz NOCUNKUPZORDOQ-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC000372680855 409515251 /nfs/dbraw/zinc/51/52/51/409515251.db2.gz NOCUNKUPZORDOQ-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC000372680855 409515254 /nfs/dbraw/zinc/51/52/54/409515254.db2.gz NOCUNKUPZORDOQ-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(=O)NC)CC2)C1 ZINC000372680856 409516704 /nfs/dbraw/zinc/51/67/04/409516704.db2.gz NOCUNKUPZORDOQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(=O)NC)CC2)C1 ZINC000372680856 409516708 /nfs/dbraw/zinc/51/67/08/409516708.db2.gz NOCUNKUPZORDOQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC000372680856 409516714 /nfs/dbraw/zinc/51/67/14/409516714.db2.gz NOCUNKUPZORDOQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC000372680856 409516720 /nfs/dbraw/zinc/51/67/20/409516720.db2.gz NOCUNKUPZORDOQ-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535443 409533163 /nfs/dbraw/zinc/53/31/63/409533163.db2.gz RNLMNJLBLXIGFB-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535443 409533171 /nfs/dbraw/zinc/53/31/71/409533171.db2.gz RNLMNJLBLXIGFB-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535443 409533175 /nfs/dbraw/zinc/53/31/75/409533175.db2.gz RNLMNJLBLXIGFB-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535443 409533185 /nfs/dbraw/zinc/53/31/85/409533185.db2.gz RNLMNJLBLXIGFB-STQMWFEESA-N 2 2 323.459 -1.061 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000420144543 409537163 /nfs/dbraw/zinc/53/71/63/409537163.db2.gz NEICLINRZULNSI-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409291 409539809 /nfs/dbraw/zinc/53/98/09/409539809.db2.gz QKMTUBFUTSPNAA-UWVGGRQHSA-N 2 2 323.397 -1.234 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409291 409539815 /nfs/dbraw/zinc/53/98/15/409539815.db2.gz QKMTUBFUTSPNAA-UWVGGRQHSA-N 2 2 323.397 -1.234 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC[NH2+]1 ZINC000423237242 409546251 /nfs/dbraw/zinc/54/62/51/409546251.db2.gz PSVGAMSHUWRYIU-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[C@H](C)[C@@H](NC(=O)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000430698244 409570264 /nfs/dbraw/zinc/57/02/64/409570264.db2.gz YRYZNVVAJJMUBK-WCQYABFASA-N 2 2 300.403 -1.076 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000432513858 409570884 /nfs/dbraw/zinc/57/08/84/409570884.db2.gz LBWFHWACLBXUEH-WCFLWFBJSA-N 2 2 310.398 -1.480 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000430777003 409571096 /nfs/dbraw/zinc/57/10/96/409571096.db2.gz SICDMWIMBFMWPG-UHFFFAOYSA-N 2 2 310.398 -1.259 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430798698 409571210 /nfs/dbraw/zinc/57/12/10/409571210.db2.gz JNAIPDSCBBYCSE-CYBMUJFWSA-N 2 2 310.398 -1.401 20 0 DAADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000430940980 409571797 /nfs/dbraw/zinc/57/17/97/409571797.db2.gz SRGRATGHAAAKEL-LBPRGKRZSA-N 2 2 320.459 -1.075 20 0 DAADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000430940980 409571805 /nfs/dbraw/zinc/57/18/05/409571805.db2.gz SRGRATGHAAAKEL-LBPRGKRZSA-N 2 2 320.459 -1.075 20 0 DAADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000440276441 409581291 /nfs/dbraw/zinc/58/12/91/409581291.db2.gz MVGYEJCEMLNZRI-GFCCVEGCSA-N 2 2 322.413 -0.454 20 0 DAADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000440276441 409581299 /nfs/dbraw/zinc/58/12/99/409581299.db2.gz MVGYEJCEMLNZRI-GFCCVEGCSA-N 2 2 322.413 -0.454 20 0 DAADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000646102254 409602143 /nfs/dbraw/zinc/60/21/43/409602143.db2.gz GQOJNFUNYRXTTM-UHFFFAOYSA-N 2 2 310.398 -1.259 20 0 DAADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCNC(=O)C1)CCO2 ZINC000646102254 409602144 /nfs/dbraw/zinc/60/21/44/409602144.db2.gz GQOJNFUNYRXTTM-UHFFFAOYSA-N 2 2 310.398 -1.259 20 0 DAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000479259366 409603438 /nfs/dbraw/zinc/60/34/38/409603438.db2.gz LBWFHWACLBXUEH-CYZMBNFOSA-N 2 2 310.398 -1.480 20 0 DAADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659713757 409692627 /nfs/dbraw/zinc/69/26/27/409692627.db2.gz QAMKAHHSPVMFPQ-CHWSQXEVSA-N 2 2 310.398 -1.212 20 0 DAADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659713640 409692966 /nfs/dbraw/zinc/69/29/66/409692966.db2.gz GUGILYZUOODURC-CHWSQXEVSA-N 2 2 310.398 -1.227 20 0 DAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659725204 409693091 /nfs/dbraw/zinc/69/30/91/409693091.db2.gz TZDVFKWYPIRGGT-JTQLQIEISA-N 2 2 320.340 -1.370 20 0 DAADLP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659713522 409694498 /nfs/dbraw/zinc/69/44/98/409694498.db2.gz QXVITDPLJLYIKM-CYBMUJFWSA-N 2 2 310.398 -1.212 20 0 DAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000659722496 409694587 /nfs/dbraw/zinc/69/45/87/409694587.db2.gz GQTRUYAPOPVZEN-GFCCVEGCSA-N 2 2 310.398 -1.083 20 0 DAADLP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659740113 409697106 /nfs/dbraw/zinc/69/71/06/409697106.db2.gz LAAREXNASPYGKU-UYJPIKCFSA-N 2 2 322.409 -1.212 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747621 409697267 /nfs/dbraw/zinc/69/72/67/409697267.db2.gz GTJMIIFKLFKZFQ-UHFFFAOYSA-N 2 2 322.369 -1.579 20 0 DAADLP CN1CC(=O)N(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000659839468 409702018 /nfs/dbraw/zinc/70/20/18/409702018.db2.gz XUPQQKQDPGMGRV-UHFFFAOYSA-N 2 2 311.386 -1.414 20 0 DAADLP Cn1c2ncn(CC[N@@H+]3CC4CC3(C[NH3+])C4)c2c(=O)n(C)c1=O ZINC000662303755 409708033 /nfs/dbraw/zinc/70/80/33/409708033.db2.gz FINZESVAJFZNPK-UHFFFAOYSA-N 2 2 318.381 -1.143 20 0 DAADLP Cn1c2ncn(CC[N@H+]3CC4CC3(C[NH3+])C4)c2c(=O)n(C)c1=O ZINC000662303755 409708038 /nfs/dbraw/zinc/70/80/38/409708038.db2.gz FINZESVAJFZNPK-UHFFFAOYSA-N 2 2 318.381 -1.143 20 0 DAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000530223457 409647195 /nfs/dbraw/zinc/64/71/95/409647195.db2.gz NMCYFGYJVPKGID-UHFFFAOYSA-N 2 2 324.385 -1.819 20 0 DAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000662427829 409711127 /nfs/dbraw/zinc/71/11/27/409711127.db2.gz CFCBLTCRQUATAR-MNOVXSKESA-N 2 2 319.431 -1.997 20 0 DAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@@H](C[NH3+])C1 ZINC000662427829 409711137 /nfs/dbraw/zinc/71/11/37/409711137.db2.gz CFCBLTCRQUATAR-MNOVXSKESA-N 2 2 319.431 -1.997 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658447385 409667184 /nfs/dbraw/zinc/66/71/84/409667184.db2.gz OHFUMPFQDOGRHK-UHFFFAOYSA-N 2 2 312.414 -1.203 20 0 DAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000659356995 409685357 /nfs/dbraw/zinc/68/53/57/409685357.db2.gz CCRAIPRMFXTAJE-UHFFFAOYSA-N 2 2 313.402 -2.103 20 0 DAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659699218 409688444 /nfs/dbraw/zinc/68/84/44/409688444.db2.gz UEGVLAYYKHLEPS-BZUNDVKYSA-N 2 2 310.398 -1.309 20 0 DAADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000659696099 409689130 /nfs/dbraw/zinc/68/91/30/409689130.db2.gz IIVWLNADNWTFEM-DDHJBXDOSA-N 2 2 316.377 -1.281 20 0 DAADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659696099 409689140 /nfs/dbraw/zinc/68/91/40/409689140.db2.gz IIVWLNADNWTFEM-DDHJBXDOSA-N 2 2 316.377 -1.281 20 0 DAADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659709084 409690378 /nfs/dbraw/zinc/69/03/78/409690378.db2.gz DPOHNSIRIBMSOT-STQMWFEESA-N 2 2 310.398 -1.212 20 0 DAADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662948822 409721320 /nfs/dbraw/zinc/72/13/20/409721320.db2.gz NUQWJHAZDLKABV-STQMWFEESA-N 2 2 310.398 -1.131 20 0 DAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662947083 409721379 /nfs/dbraw/zinc/72/13/79/409721379.db2.gz KFDWQIAYESOZEI-OLZOCXBDSA-N 2 2 310.398 -1.260 20 0 DAADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662971970 409721750 /nfs/dbraw/zinc/72/17/50/409721750.db2.gz HBIOJMOIGRUXLJ-UYJPIKCFSA-N 2 2 322.409 -1.131 20 0 DAADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662950299 409723053 /nfs/dbraw/zinc/72/30/53/409723053.db2.gz GPDOJIQWBSZLAH-CHWSQXEVSA-N 2 2 310.398 -1.273 20 0 DAADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662953547 409723367 /nfs/dbraw/zinc/72/33/67/409723367.db2.gz KDTHCVVGFPTYRQ-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1COCC[NH2+]1 ZINC000430716354 409776926 /nfs/dbraw/zinc/77/69/26/409776926.db2.gz VNFIQNQOBMHGFF-LBPRGKRZSA-N 2 2 309.370 -0.858 20 0 DAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662632656 409714073 /nfs/dbraw/zinc/71/40/73/409714073.db2.gz SHAXXBPNMPAEIZ-CYBMUJFWSA-N 3 2 313.446 -1.146 20 0 DAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662632656 409714081 /nfs/dbraw/zinc/71/40/81/409714081.db2.gz SHAXXBPNMPAEIZ-CYBMUJFWSA-N 3 2 313.446 -1.146 20 0 DAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656616 409715263 /nfs/dbraw/zinc/71/52/63/409715263.db2.gz QIKOJMQFUPNDSX-OLZOCXBDSA-N 2 2 310.398 -1.212 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704202 409715956 /nfs/dbraw/zinc/71/59/56/409715956.db2.gz WDQXXKYLDFFPCH-UHFFFAOYSA-N 2 2 324.425 -1.011 20 0 DAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662872862 409717889 /nfs/dbraw/zinc/71/78/89/409717889.db2.gz DVCQWCPXHAWYDL-GFCCVEGCSA-N 3 2 301.435 -1.256 20 0 DAADLP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000662738160 409718878 /nfs/dbraw/zinc/71/88/78/409718878.db2.gz VCBLDHGQUPOEKX-AVGNSLFASA-N 2 2 310.398 -1.227 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)CCC1 ZINC001193755220 782015150 /nfs/dbraw/zinc/01/51/50/782015150.db2.gz IOWHHWUQQPRSAA-FRRDWIJNSA-N 2 2 324.425 -1.089 20 0 DAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)CCC1 ZINC001193755220 782015153 /nfs/dbraw/zinc/01/51/53/782015153.db2.gz IOWHHWUQQPRSAA-FRRDWIJNSA-N 2 2 324.425 -1.089 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765974 782014536 /nfs/dbraw/zinc/01/45/36/782014536.db2.gz LYJZQIVGRIMWNC-QJPTWQEYSA-N 2 2 312.414 -1.234 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765974 782014546 /nfs/dbraw/zinc/01/45/46/782014546.db2.gz LYJZQIVGRIMWNC-QJPTWQEYSA-N 2 2 312.414 -1.234 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774323 782014704 /nfs/dbraw/zinc/01/47/04/782014704.db2.gz MEFFGVVFHPYGCI-IJLUTSLNSA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774323 782014716 /nfs/dbraw/zinc/01/47/16/782014716.db2.gz MEFFGVVFHPYGCI-IJLUTSLNSA-N 2 2 312.414 -1.104 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001193774628 782016254 /nfs/dbraw/zinc/01/62/54/782016254.db2.gz RJMDANQGRJWPEB-JHJVBQTASA-N 2 2 324.425 -1.137 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001193774628 782016259 /nfs/dbraw/zinc/01/62/59/782016259.db2.gz RJMDANQGRJWPEB-JHJVBQTASA-N 2 2 324.425 -1.137 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829136 782018114 /nfs/dbraw/zinc/01/81/14/782018114.db2.gz WUVYOCYZMYJLOO-JHJVBQTASA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193829136 782018122 /nfs/dbraw/zinc/01/81/22/782018122.db2.gz WUVYOCYZMYJLOO-JHJVBQTASA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193829136 782018130 /nfs/dbraw/zinc/01/81/30/782018130.db2.gz WUVYOCYZMYJLOO-JHJVBQTASA-N 2 2 312.414 -1.104 20 0 DAADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193829136 782018139 /nfs/dbraw/zinc/01/81/39/782018139.db2.gz WUVYOCYZMYJLOO-JHJVBQTASA-N 2 2 312.414 -1.104 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685336201 545893661 /nfs/dbraw/zinc/89/36/61/545893661.db2.gz LZQQBBPGEMPSAQ-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336201 545893666 /nfs/dbraw/zinc/89/36/66/545893666.db2.gz LZQQBBPGEMPSAQ-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153846 782029345 /nfs/dbraw/zinc/02/93/45/782029345.db2.gz HXIYWSJLERNUIG-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC)C2)C1 ZINC001194153846 782029350 /nfs/dbraw/zinc/02/93/50/782029350.db2.gz HXIYWSJLERNUIG-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC)C2)C1 ZINC001194153846 782029355 /nfs/dbraw/zinc/02/93/55/782029355.db2.gz HXIYWSJLERNUIG-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC)C2)C1 ZINC001194153846 782029359 /nfs/dbraw/zinc/02/93/59/782029359.db2.gz HXIYWSJLERNUIG-STQMWFEESA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000332718123 262520760 /nfs/dbraw/zinc/52/07/60/262520760.db2.gz WMMUMXSECYHPPT-AWEZNQCLSA-N 2 2 323.441 -1.343 20 0 DAADLP CC(C)[C@H](C[NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000433126647 262629759 /nfs/dbraw/zinc/62/97/59/262629759.db2.gz DISIBEICBAEIOO-LBPRGKRZSA-N 2 2 300.403 -1.218 20 0 DAADLP C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000244303033 263220830 /nfs/dbraw/zinc/22/08/30/263220830.db2.gz WYWXKUQXJPZXLS-AWEZNQCLSA-N 2 2 324.425 -1.059 20 0 DAADLP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H]([NH3+])C1)c(=O)n2C ZINC000430609531 263220970 /nfs/dbraw/zinc/22/09/70/263220970.db2.gz IBZDBMYGVVGTER-SNVBAGLBSA-N 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C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784207 263230050 /nfs/dbraw/zinc/23/00/50/263230050.db2.gz AOUDGWOASMGLIZ-CHWSQXEVSA-N 2 2 312.414 -1.251 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000362784207 263230051 /nfs/dbraw/zinc/23/00/51/263230051.db2.gz AOUDGWOASMGLIZ-CHWSQXEVSA-N 2 2 312.414 -1.251 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000351505069 263230405 /nfs/dbraw/zinc/23/04/05/263230405.db2.gz LOENNUDXIHEWJB-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000351505069 263230408 /nfs/dbraw/zinc/23/04/08/263230408.db2.gz LOENNUDXIHEWJB-UONOGXRCSA-N 2 2 315.414 -1.095 20 0 DAADLP CN1C(=O)NC2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000329104473 263232367 /nfs/dbraw/zinc/23/23/67/263232367.db2.gz CNUASIPSYIQRQC-UHFFFAOYSA-N 2 2 323.397 -1.019 20 0 DAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332674537 263237515 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ZINC000237840719 263261358 /nfs/dbraw/zinc/26/13/58/263261358.db2.gz PVUHIYAEMSPWBZ-OLZOCXBDSA-N 2 2 310.398 -1.273 20 0 DAADLP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1[NH+]1CCOCC1 ZINC000431013443 263261384 /nfs/dbraw/zinc/26/13/84/263261384.db2.gz FMPQQAWKCLWSIJ-QWHCGFSZSA-N 2 2 310.398 -1.403 20 0 DAADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000419997018 263264618 /nfs/dbraw/zinc/26/46/18/263264618.db2.gz LHOWNOKCCFYMNM-NEPJUHHUSA-N 2 2 300.403 -1.077 20 0 DAADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000419997018 263264620 /nfs/dbraw/zinc/26/46/20/263264620.db2.gz LHOWNOKCCFYMNM-NEPJUHHUSA-N 2 2 300.403 -1.077 20 0 DAADLP CN(CCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)S(C)(=O)=O ZINC000359269952 263265584 /nfs/dbraw/zinc/26/55/84/263265584.db2.gz DRNPRJGQBQICFW-VXGBXAGGSA-N 2 2 318.443 -1.465 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828027 263270373 /nfs/dbraw/zinc/27/03/73/263270373.db2.gz 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C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000343082972 263294590 /nfs/dbraw/zinc/29/45/90/263294590.db2.gz GBDLZGCAQJRZNZ-AGIUHOORSA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000343082972 263294593 /nfs/dbraw/zinc/29/45/93/263294593.db2.gz GBDLZGCAQJRZNZ-AGIUHOORSA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000343082972 263294594 /nfs/dbraw/zinc/29/45/94/263294594.db2.gz GBDLZGCAQJRZNZ-AGIUHOORSA-N 2 2 312.414 -1.171 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000343082972 263294595 /nfs/dbraw/zinc/29/45/95/263294595.db2.gz GBDLZGCAQJRZNZ-AGIUHOORSA-N 2 2 312.414 -1.171 20 0 DAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423060290 263294642 /nfs/dbraw/zinc/29/46/42/263294642.db2.gz OAJRSCPPOCJSTI-UHFFFAOYSA-N 2 2 300.403 -1.155 20 0 DAADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000419114456 263299921 /nfs/dbraw/zinc/29/99/21/263299921.db2.gz HXDXLFYXBYVLDP-LBPRGKRZSA-N 2 2 300.403 -1.076 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332727903 263301868 /nfs/dbraw/zinc/30/18/68/263301868.db2.gz YYSSQZYDIQHQSQ-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 0 DAADLP C[C@@H]1C[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000358849270 263302589 /nfs/dbraw/zinc/30/25/89/263302589.db2.gz QZLKQJBRSVAOGO-CHWSQXEVSA-N 2 2 312.414 -1.061 20 0 DAADLP CN(C)S(=O)(=O)CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000330528383 263307953 /nfs/dbraw/zinc/30/79/53/263307953.db2.gz NCBJHOWBEHQBIW-UHFFFAOYSA-N 2 2 320.459 -1.026 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000420120272 263308276 /nfs/dbraw/zinc/30/82/76/263308276.db2.gz OIAFWDDYEKVZNF-JHJVBQTASA-N 2 2 312.414 -1.063 20 0 DAADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000420120272 263308279 /nfs/dbraw/zinc/30/82/79/263308279.db2.gz 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/nfs/dbraw/zinc/31/97/45/263319745.db2.gz HOZQHXHEFDAEBF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000358163891 263319747 /nfs/dbraw/zinc/31/97/47/263319747.db2.gz HOZQHXHEFDAEBF-QWHCGFSZSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1CCOC ZINC000168072242 263322864 /nfs/dbraw/zinc/32/28/64/263322864.db2.gz NCHJOMIXFSASSU-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1CCOC ZINC000168072242 263322866 /nfs/dbraw/zinc/32/28/66/263322866.db2.gz NCHJOMIXFSASSU-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000179111827 263323651 /nfs/dbraw/zinc/32/36/51/263323651.db2.gz GYDMVYINVSOQSQ-KGLIPLIRSA-N 2 2 324.425 -1.013 20 0 DAADLP CO[C@H](C[NH3+])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000353430107 263324176 /nfs/dbraw/zinc/32/41/76/263324176.db2.gz RACMMAJFEQBRGQ-LLVKDONJSA-N 2 2 319.369 -1.014 20 0 DAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000178804273 263325513 /nfs/dbraw/zinc/32/55/13/263325513.db2.gz ZBFYBNDMLNHHHV-QWHCGFSZSA-N 2 2 310.398 -1.355 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448332 782039245 /nfs/dbraw/zinc/03/92/45/782039245.db2.gz BPQIMZDIETVYTI-NSHDSACASA-N 2 2 322.369 -1.129 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448332 782039255 /nfs/dbraw/zinc/03/92/55/782039255.db2.gz BPQIMZDIETVYTI-NSHDSACASA-N 2 2 322.369 -1.129 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194719673 782044905 /nfs/dbraw/zinc/04/49/05/782044905.db2.gz BWPFACORJCVHNZ-CHWSQXEVSA-N 2 2 312.370 -1.638 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194719673 782044910 /nfs/dbraw/zinc/04/49/10/782044910.db2.gz BWPFACORJCVHNZ-CHWSQXEVSA-N 2 2 312.370 -1.638 20 0 DAADLP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404779 782066888 /nfs/dbraw/zinc/06/68/88/782066888.db2.gz SERHLWZCASQZTP-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404779 782066897 /nfs/dbraw/zinc/06/68/97/782066897.db2.gz SERHLWZCASQZTP-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001195404779 782066905 /nfs/dbraw/zinc/06/69/05/782066905.db2.gz SERHLWZCASQZTP-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP COC[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404779 782066908 /nfs/dbraw/zinc/06/69/08/782066908.db2.gz SERHLWZCASQZTP-KGLIPLIRSA-N 2 2 315.414 -1.141 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001195660893 782075309 /nfs/dbraw/zinc/07/53/09/782075309.db2.gz AZCPQFOGRVSDPT-JHJVBQTASA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001195660893 782075316 /nfs/dbraw/zinc/07/53/16/782075316.db2.gz AZCPQFOGRVSDPT-JHJVBQTASA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195691825 782075331 /nfs/dbraw/zinc/07/53/31/782075331.db2.gz PYLNGAVXLDESSP-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195691825 782075336 /nfs/dbraw/zinc/07/53/36/782075336.db2.gz PYLNGAVXLDESSP-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195660875 782075756 /nfs/dbraw/zinc/07/57/56/782075756.db2.gz AVFVTWMGFMYFBN-IJLUTSLNSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001195660875 782075762 /nfs/dbraw/zinc/07/57/62/782075762.db2.gz AVFVTWMGFMYFBN-IJLUTSLNSA-N 2 2 310.398 -1.622 20 0 DAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195708960 782076214 /nfs/dbraw/zinc/07/62/14/782076214.db2.gz UNUGPXVMWFFWKO-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195708960 782076223 /nfs/dbraw/zinc/07/62/23/782076223.db2.gz UNUGPXVMWFFWKO-JHJVBQTASA-N 2 2 312.414 -1.280 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661655 782076535 /nfs/dbraw/zinc/07/65/35/782076535.db2.gz SZWZQSDZMRWFJK-VXGBXAGGSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661655 782076543 /nfs/dbraw/zinc/07/65/43/782076543.db2.gz SZWZQSDZMRWFJK-VXGBXAGGSA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702115 782076767 /nfs/dbraw/zinc/07/67/67/782076767.db2.gz YRUWKQRWDSSNEA-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702115 782076775 /nfs/dbraw/zinc/07/67/75/782076775.db2.gz YRUWKQRWDSSNEA-VXGBXAGGSA-N 2 2 300.403 -1.422 20 0 DAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H](O)C[NH3+])C1 ZINC000566302762 332327013 /nfs/dbraw/zinc/32/70/13/332327013.db2.gz UIHJXVKXJGRWOO-ZIAGYGMSSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H](O)C[NH3+])C1 ZINC000566302762 332327015 /nfs/dbraw/zinc/32/70/15/332327015.db2.gz UIHJXVKXJGRWOO-ZIAGYGMSSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000566302762 332327017 /nfs/dbraw/zinc/32/70/17/332327017.db2.gz UIHJXVKXJGRWOO-ZIAGYGMSSA-N 3 2 316.446 -1.289 20 0 DAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000566302762 332327019 /nfs/dbraw/zinc/32/70/19/332327019.db2.gz UIHJXVKXJGRWOO-ZIAGYGMSSA-N 3 2 316.446 -1.289 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000583485742 334272728 /nfs/dbraw/zinc/27/27/28/334272728.db2.gz RKBFBBJUTYRBTM-ZDUSSCGKSA-N 2 2 314.430 -1.079 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207584 782096856 /nfs/dbraw/zinc/09/68/56/782096856.db2.gz RBXPGOKFOQRFLU-IJLUTSLNSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207584 782096866 /nfs/dbraw/zinc/09/68/66/782096866.db2.gz RBXPGOKFOQRFLU-IJLUTSLNSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196207584 782096873 /nfs/dbraw/zinc/09/68/73/782096873.db2.gz RBXPGOKFOQRFLU-IJLUTSLNSA-N 2 2 314.430 -1.001 20 0 DAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196207584 782096882 /nfs/dbraw/zinc/09/68/82/782096882.db2.gz RBXPGOKFOQRFLU-IJLUTSLNSA-N 2 2 314.430 -1.001 20 0 DAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000582287117 336885864 /nfs/dbraw/zinc/88/58/64/336885864.db2.gz PTDZSJRHHSQJSZ-UHFFFAOYSA-N 3 2 313.446 -1.288 20 0 DAADLP COC(=O)CN(CCN1CC[NH2+]CC1)CC[NH+]1CCOCC1 ZINC000420370040 337500001 /nfs/dbraw/zinc/50/00/01/337500001.db2.gz YGKMPBZVIVUJHR-UHFFFAOYSA-N 2 2 314.430 -1.301 20 0 DAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000564440524 341501924 /nfs/dbraw/zinc/50/19/24/341501924.db2.gz FTSSRFVNNOAPBV-ZDUSSCGKSA-N 2 2 322.413 -1.167 20 0 DAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](C[NH3+])OC ZINC000564935802 341513503 /nfs/dbraw/zinc/51/35/03/341513503.db2.gz BNSAPFLINKIHHV-LBPRGKRZSA-N 2 2 317.386 -1.316 20 0 DAADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000567917066 341640524 /nfs/dbraw/zinc/64/05/24/341640524.db2.gz UHBHLQZQVUYUKW-LLVKDONJSA-N 2 2 306.370 -1.675 20 0 DAADLP [NH3+]C1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000574688933 341765985 /nfs/dbraw/zinc/76/59/85/341765985.db2.gz VIPJBXQPVXXVMY-GFCCVEGCSA-N 2 2 310.398 -1.083 20 0 DAADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000577344892 341905077 /nfs/dbraw/zinc/90/50/77/341905077.db2.gz QXACEZBLAWPPIE-FPQZTECRSA-N 2 2 312.414 -1.424 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197057546 782121785 /nfs/dbraw/zinc/12/17/85/782121785.db2.gz DDPFQBUPSDJDEK-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197057713 782121914 /nfs/dbraw/zinc/12/19/14/782121914.db2.gz HJBRPZYYRXMCIJ-YNEHKIRRSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197057545 782122565 /nfs/dbraw/zinc/12/25/65/782122565.db2.gz DDPFQBUPSDJDEK-FRRDWIJNSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197050148 782122779 /nfs/dbraw/zinc/12/27/79/782122779.db2.gz YMMQHMUSECCXPG-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197050148 782122786 /nfs/dbraw/zinc/12/27/86/782122786.db2.gz YMMQHMUSECCXPG-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1O ZINC001197528073 782134659 /nfs/dbraw/zinc/13/46/59/782134659.db2.gz GRLCKKXMFOSASX-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1O ZINC001197528073 782134665 /nfs/dbraw/zinc/13/46/65/782134665.db2.gz GRLCKKXMFOSASX-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001197528073 782134670 /nfs/dbraw/zinc/13/46/70/782134670.db2.gz GRLCKKXMFOSASX-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001197528073 782134675 /nfs/dbraw/zinc/13/46/75/782134675.db2.gz GRLCKKXMFOSASX-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926734 782143637 /nfs/dbraw/zinc/14/36/37/782143637.db2.gz VFHFSZUJGAZHGQ-QJPTWQEYSA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926734 782143642 /nfs/dbraw/zinc/14/36/42/782143642.db2.gz VFHFSZUJGAZHGQ-QJPTWQEYSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001198028884 782146014 /nfs/dbraw/zinc/14/60/14/782146014.db2.gz LAXMLLOUIGQOKJ-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001198028884 782146018 /nfs/dbraw/zinc/14/60/18/782146018.db2.gz LAXMLLOUIGQOKJ-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001198028884 782146023 /nfs/dbraw/zinc/14/60/23/782146023.db2.gz LAXMLLOUIGQOKJ-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001198028884 782146027 /nfs/dbraw/zinc/14/60/27/782146027.db2.gz LAXMLLOUIGQOKJ-JHJVBQTASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001198046817 782146697 /nfs/dbraw/zinc/14/66/97/782146697.db2.gz FTMNRPQTRPUYMR-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001198046817 782146703 /nfs/dbraw/zinc/14/67/03/782146703.db2.gz FTMNRPQTRPUYMR-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001198046817 782146709 /nfs/dbraw/zinc/14/67/09/782146709.db2.gz FTMNRPQTRPUYMR-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001198046817 782146713 /nfs/dbraw/zinc/14/67/13/782146713.db2.gz FTMNRPQTRPUYMR-IJLUTSLNSA-N 2 2 300.403 -1.376 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001198047445 782147131 /nfs/dbraw/zinc/14/71/31/782147131.db2.gz NFJZLNYDJZPHME-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001198047445 782147137 /nfs/dbraw/zinc/14/71/37/782147137.db2.gz NFJZLNYDJZPHME-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001198047445 782147143 /nfs/dbraw/zinc/14/71/43/782147143.db2.gz NFJZLNYDJZPHME-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001198047445 782147149 /nfs/dbraw/zinc/14/71/49/782147149.db2.gz NFJZLNYDJZPHME-GRYCIOLGSA-N 2 2 300.403 -1.247 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198672678 782159862 /nfs/dbraw/zinc/15/98/62/782159862.db2.gz PTKLTNCWNPQKNL-CHWSQXEVSA-N 2 2 301.387 -1.748 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198672678 782159867 /nfs/dbraw/zinc/15/98/67/782159867.db2.gz PTKLTNCWNPQKNL-CHWSQXEVSA-N 2 2 301.387 -1.748 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198698870 782160333 /nfs/dbraw/zinc/16/03/33/782160333.db2.gz HBSLMKIKVMSAOK-JHJVBQTASA-N 2 2 301.387 -1.892 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671684 782160303 /nfs/dbraw/zinc/16/03/03/782160303.db2.gz IWFFPFHNKVYUOI-YNEHKIRRSA-N 2 2 301.387 -1.749 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671684 782160309 /nfs/dbraw/zinc/16/03/09/782160309.db2.gz IWFFPFHNKVYUOI-YNEHKIRRSA-N 2 2 301.387 -1.749 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198698870 782160338 /nfs/dbraw/zinc/16/03/38/782160338.db2.gz HBSLMKIKVMSAOK-JHJVBQTASA-N 2 2 301.387 -1.892 20 0 DAADLP O=C(NCC[NH+]1CCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000337273227 526302405 /nfs/dbraw/zinc/30/24/05/526302405.db2.gz CEKKGQZGKVYATA-AWEZNQCLSA-N 2 2 324.425 -1.011 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023229 782167755 /nfs/dbraw/zinc/16/77/55/782167755.db2.gz CRVUEFIMDVTAMJ-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023229 782167758 /nfs/dbraw/zinc/16/77/58/782167758.db2.gz CRVUEFIMDVTAMJ-JHJVBQTASA-N 2 2 312.414 -1.103 20 0 DAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000342963381 545695469 /nfs/dbraw/zinc/69/54/69/545695469.db2.gz AARBSUICJNHZMO-UHFFFAOYSA-N 2 2 323.397 -1.049 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1=O ZINC000333944657 545696134 /nfs/dbraw/zinc/69/61/34/545696134.db2.gz SEJVMGNXVONTKQ-MJBXVCDLSA-N 2 2 324.425 -1.062 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1=O ZINC000333944657 545696141 /nfs/dbraw/zinc/69/61/41/545696141.db2.gz SEJVMGNXVONTKQ-MJBXVCDLSA-N 2 2 324.425 -1.062 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000343927064 545709360 /nfs/dbraw/zinc/70/93/60/545709360.db2.gz UWRVADVSIJGDMH-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000343927064 545709366 /nfs/dbraw/zinc/70/93/66/545709366.db2.gz UWRVADVSIJGDMH-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000330233498 545724443 /nfs/dbraw/zinc/72/44/43/545724443.db2.gz SEJVMGNXVONTKQ-MELADBBJSA-N 2 2 324.425 -1.062 20 0 DAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000330233498 545724447 /nfs/dbraw/zinc/72/44/47/545724447.db2.gz SEJVMGNXVONTKQ-MELADBBJSA-N 2 2 324.425 -1.062 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000331702436 545726650 /nfs/dbraw/zinc/72/66/50/545726650.db2.gz FXAVBJBWPFFTLK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000331702436 545726656 /nfs/dbraw/zinc/72/66/56/545726656.db2.gz FXAVBJBWPFFTLK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000331702436 545726660 /nfs/dbraw/zinc/72/66/60/545726660.db2.gz FXAVBJBWPFFTLK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000331702436 545726663 /nfs/dbraw/zinc/72/66/63/545726663.db2.gz FXAVBJBWPFFTLK-BFHYXJOUSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000331944544 545728617 /nfs/dbraw/zinc/72/86/17/545728617.db2.gz GKNJXTIKVUYVHN-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000331944544 545728620 /nfs/dbraw/zinc/72/86/20/545728620.db2.gz GKNJXTIKVUYVHN-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000331944544 545728627 /nfs/dbraw/zinc/72/86/27/545728627.db2.gz GKNJXTIKVUYVHN-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP CC[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000331944544 545728629 /nfs/dbraw/zinc/72/86/29/545728629.db2.gz GKNJXTIKVUYVHN-ZDUSSCGKSA-N 2 2 312.414 -1.013 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000332193156 545730716 /nfs/dbraw/zinc/73/07/16/545730716.db2.gz QTYPZDLQGRRXLQ-ZIAGYGMSSA-N 2 2 324.425 -1.155 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000332193154 545731111 /nfs/dbraw/zinc/73/11/11/545731111.db2.gz QTYPZDLQGRRXLQ-UONOGXRCSA-N 2 2 324.425 -1.155 20 0 DAADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCNC(=O)C1 ZINC000362826074 545747038 /nfs/dbraw/zinc/74/70/38/545747038.db2.gz LHYXFOLSQDZPOO-GFCCVEGCSA-N 2 2 323.397 -2.159 20 0 DAADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCNC(=O)C1 ZINC000362826074 545747045 /nfs/dbraw/zinc/74/70/45/545747045.db2.gz LHYXFOLSQDZPOO-GFCCVEGCSA-N 2 2 323.397 -2.159 20 0 DAADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832143 545747261 /nfs/dbraw/zinc/74/72/61/545747261.db2.gz WBUHAZDIBALZDZ-LLVKDONJSA-N 2 2 311.386 -1.272 20 0 DAADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832143 545747263 /nfs/dbraw/zinc/74/72/63/545747263.db2.gz WBUHAZDIBALZDZ-LLVKDONJSA-N 2 2 311.386 -1.272 20 0 DAADLP CC(C)Nc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000367456430 545748711 /nfs/dbraw/zinc/74/87/11/545748711.db2.gz OUHJFVZCAYEJJQ-TXEJJXNPSA-N 2 2 321.429 -1.062 20 0 DAADLP CC(C)Nc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000367456430 545748717 /nfs/dbraw/zinc/74/87/17/545748717.db2.gz OUHJFVZCAYEJJQ-TXEJJXNPSA-N 2 2 321.429 -1.062 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000367456430 545748721 /nfs/dbraw/zinc/74/87/21/545748721.db2.gz OUHJFVZCAYEJJQ-TXEJJXNPSA-N 2 2 321.429 -1.062 20 0 DAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000367456430 545748727 /nfs/dbraw/zinc/74/87/27/545748727.db2.gz OUHJFVZCAYEJJQ-TXEJJXNPSA-N 2 2 321.429 -1.062 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC000367456430 545748732 /nfs/dbraw/zinc/74/87/32/545748732.db2.gz OUHJFVZCAYEJJQ-TXEJJXNPSA-N 2 2 321.429 -1.062 20 0 DAADLP CC(C)Nc1nc(NCCO)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC000367456430 545748733 /nfs/dbraw/zinc/74/87/33/545748733.db2.gz OUHJFVZCAYEJJQ-TXEJJXNPSA-N 2 2 321.429 -1.062 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000368626869 545751210 /nfs/dbraw/zinc/75/12/10/545751210.db2.gz UZAQKWIQOHHCIY-LLVKDONJSA-N 2 2 304.416 -1.487 20 0 DAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000368626869 545751213 /nfs/dbraw/zinc/75/12/13/545751213.db2.gz UZAQKWIQOHHCIY-LLVKDONJSA-N 2 2 304.416 -1.487 20 0 DAADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C[NH+]1CCOCC1 ZINC000419305405 545765589 /nfs/dbraw/zinc/76/55/89/545765589.db2.gz WWOGXJHLCYECLO-OLZOCXBDSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000419882974 545770078 /nfs/dbraw/zinc/77/00/78/545770078.db2.gz CWEFLUMJNVCVMC-UHFFFAOYSA-N 2 2 300.403 -1.107 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423630309 545773086 /nfs/dbraw/zinc/77/30/86/545773086.db2.gz YMASEKWUSSROMY-QWHCGFSZSA-N 2 2 312.414 -1.149 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321221 545802100 /nfs/dbraw/zinc/80/21/00/545802100.db2.gz OULAEFQWSKBTNB-QWHCGFSZSA-N 2 2 310.398 -1.524 20 0 DAADLP C[NH+](C)CCN1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1=O ZINC000649688563 545805804 /nfs/dbraw/zinc/80/58/04/545805804.db2.gz HEAUGLXZDWWBEP-CQSZACIVSA-N 2 2 314.430 -1.615 20 0 DAADLP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658850362 545837054 /nfs/dbraw/zinc/83/70/54/545837054.db2.gz URUIYNXKMUPPCG-CQSZACIVSA-N 2 2 324.425 -1.061 20 0 DAADLP Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000679306703 545878449 /nfs/dbraw/zinc/87/84/49/545878449.db2.gz RJMGOAVMSOXVOT-GFCCVEGCSA-N 2 2 322.413 -1.134 20 0 DAADLP Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000679306703 545878454 /nfs/dbraw/zinc/87/84/54/545878454.db2.gz RJMGOAVMSOXVOT-GFCCVEGCSA-N 2 2 322.413 -1.134 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@@H]2NCN[C@H]21 ZINC001199371300 782176597 /nfs/dbraw/zinc/17/65/97/782176597.db2.gz QHYGALODLJTOBP-MJBXVCDLSA-N 2 2 317.397 -1.186 20 0 DAADLP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1C[NH+](CC(N)=O)C1 ZINC000969688330 662324967 /nfs/dbraw/zinc/32/49/67/662324967.db2.gz SZSYMISGRYBISD-LLVKDONJSA-N 2 2 322.413 -1.020 20 0 DAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020636629 662334323 /nfs/dbraw/zinc/33/43/23/662334323.db2.gz BFHUHIXICVTCDI-QXEWZRGKSA-N 2 2 305.338 -1.006 20 0 DAADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1)[NH+](C)C ZINC000970079905 662340893 /nfs/dbraw/zinc/34/08/93/662340893.db2.gz UHIFTOIJFQHKJE-WOPDTQHZSA-N 2 2 323.397 -1.020 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001021126299 662354713 /nfs/dbraw/zinc/35/47/13/662354713.db2.gz JFPKXZPZNWDPAE-GMTAPVOTSA-N 2 2 305.338 -1.075 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000970490731 662363260 /nfs/dbraw/zinc/36/32/60/662363260.db2.gz YLBYHCUKCZQLJC-LLVKDONJSA-N 2 2 320.397 -1.105 20 0 DAADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970763643 662370108 /nfs/dbraw/zinc/37/01/08/662370108.db2.gz UBBMOKKQLVAZHD-TZMCWYRMSA-N 2 2 310.398 -1.227 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021927366 662382788 /nfs/dbraw/zinc/38/27/88/662382788.db2.gz DMSJLHNMPRHCOD-NTZNESFSSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021927366 662382791 /nfs/dbraw/zinc/38/27/91/662382791.db2.gz DMSJLHNMPRHCOD-NTZNESFSSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001021926847 662382908 /nfs/dbraw/zinc/38/29/08/662382908.db2.gz WQWCUENYUNDREH-OUAUKWLOSA-N 2 2 324.385 -1.824 20 0 DAADLP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001021926847 662382910 /nfs/dbraw/zinc/38/29/10/662382910.db2.gz WQWCUENYUNDREH-OUAUKWLOSA-N 2 2 324.385 -1.824 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971679802 662388749 /nfs/dbraw/zinc/38/87/49/662388749.db2.gz VJCZLZRDQADRED-CHWSQXEVSA-N 2 2 322.413 -1.169 20 0 DAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971679802 662388750 /nfs/dbraw/zinc/38/87/50/662388750.db2.gz VJCZLZRDQADRED-CHWSQXEVSA-N 2 2 322.413 -1.169 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022888597 662415245 /nfs/dbraw/zinc/41/52/45/662415245.db2.gz NUQWDZYYSDRRQZ-AEJSXWLSSA-N 2 2 305.338 -1.006 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023160975 662435321 /nfs/dbraw/zinc/43/53/21/662435321.db2.gz JFPKXZPZNWDPAE-AXFHLTTASA-N 2 2 305.338 -1.075 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001023208827 662442121 /nfs/dbraw/zinc/44/21/21/662442121.db2.gz YCYYBWCNPBTJJY-FRRDWIJNSA-N 2 2 321.381 -1.335 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001023208827 662442125 /nfs/dbraw/zinc/44/21/25/662442125.db2.gz YCYYBWCNPBTJJY-FRRDWIJNSA-N 2 2 321.381 -1.335 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001023798402 662461238 /nfs/dbraw/zinc/46/12/38/662461238.db2.gz QEUBMTCPTYTLPC-CHWSQXEVSA-N 2 2 321.381 -1.333 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719888 662527360 /nfs/dbraw/zinc/52/73/60/662527360.db2.gz WPWIFPJEPGKOLR-FPYNETTCSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719888 662527362 /nfs/dbraw/zinc/52/73/62/662527362.db2.gz WPWIFPJEPGKOLR-FPYNETTCSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719888 662527363 /nfs/dbraw/zinc/52/73/63/662527363.db2.gz WPWIFPJEPGKOLR-FPYNETTCSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719888 662527365 /nfs/dbraw/zinc/52/73/65/662527365.db2.gz WPWIFPJEPGKOLR-FPYNETTCSA-N 2 2 310.398 -1.373 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803101 662532386 /nfs/dbraw/zinc/53/23/86/662532386.db2.gz USXOGBHTJWRORF-JHJVBQTASA-N 2 2 321.381 -1.266 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803101 662532387 /nfs/dbraw/zinc/53/23/87/662532387.db2.gz USXOGBHTJWRORF-JHJVBQTASA-N 2 2 321.381 -1.266 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803989 662532825 /nfs/dbraw/zinc/53/28/25/662532825.db2.gz USXOGBHTJWRORF-FRRDWIJNSA-N 2 2 321.381 -1.266 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025803989 662532830 /nfs/dbraw/zinc/53/28/30/662532830.db2.gz USXOGBHTJWRORF-FRRDWIJNSA-N 2 2 321.381 -1.266 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147797 662542986 /nfs/dbraw/zinc/54/29/86/662542986.db2.gz NMIRKYTZLWPBEJ-ODXJTPSBSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147797 662542988 /nfs/dbraw/zinc/54/29/88/662542988.db2.gz NMIRKYTZLWPBEJ-ODXJTPSBSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147797 662542990 /nfs/dbraw/zinc/54/29/90/662542990.db2.gz NMIRKYTZLWPBEJ-ODXJTPSBSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)C1 ZINC001026147797 662542993 /nfs/dbraw/zinc/54/29/93/662542993.db2.gz NMIRKYTZLWPBEJ-ODXJTPSBSA-N 2 2 324.425 -1.112 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147805 662543225 /nfs/dbraw/zinc/54/32/25/662543225.db2.gz OHNJMQLVQBXBBQ-IEECTRCBSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147805 662543226 /nfs/dbraw/zinc/54/32/26/662543226.db2.gz OHNJMQLVQBXBBQ-IEECTRCBSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147805 662543228 /nfs/dbraw/zinc/54/32/28/662543228.db2.gz OHNJMQLVQBXBBQ-IEECTRCBSA-N 2 2 310.398 -1.373 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147805 662543231 /nfs/dbraw/zinc/54/32/31/662543231.db2.gz OHNJMQLVQBXBBQ-IEECTRCBSA-N 2 2 310.398 -1.373 20 0 DAADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)C2(O)CCOCC2)CC1=O ZINC000930847307 662558230 /nfs/dbraw/zinc/55/82/30/662558230.db2.gz GOTYAESAVKSTKC-CYBMUJFWSA-N 2 2 315.414 -1.405 20 0 DAADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)CC1=O ZINC000930847307 662558233 /nfs/dbraw/zinc/55/82/33/662558233.db2.gz GOTYAESAVKSTKC-CYBMUJFWSA-N 2 2 315.414 -1.405 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001026749959 662563140 /nfs/dbraw/zinc/56/31/40/662563140.db2.gz RNTLXIBZAQCRIO-RYUDHWBXSA-N 2 2 323.401 -1.521 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001026749959 662563141 /nfs/dbraw/zinc/56/31/41/662563141.db2.gz RNTLXIBZAQCRIO-RYUDHWBXSA-N 2 2 323.401 -1.521 20 0 DAADLP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001027245876 662576687 /nfs/dbraw/zinc/57/66/87/662576687.db2.gz HWHSMGSTVJPCRW-NSHDSACASA-N 2 2 319.369 -1.057 20 0 DAADLP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977948103 662607525 /nfs/dbraw/zinc/60/75/25/662607525.db2.gz BFNYZWYWGXKMEG-FVCCEPFGSA-N 2 2 310.398 -1.643 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977948103 662607526 /nfs/dbraw/zinc/60/75/26/662607526.db2.gz BFNYZWYWGXKMEG-FVCCEPFGSA-N 2 2 310.398 -1.643 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977948103 662607527 /nfs/dbraw/zinc/60/75/27/662607527.db2.gz BFNYZWYWGXKMEG-FVCCEPFGSA-N 2 2 310.398 -1.643 20 0 DAADLP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977948103 662607528 /nfs/dbraw/zinc/60/75/28/662607528.db2.gz BFNYZWYWGXKMEG-FVCCEPFGSA-N 2 2 310.398 -1.643 20 0 DAADLP Cn1nnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077771 662619714 /nfs/dbraw/zinc/61/97/14/662619714.db2.gz XENRYLCADTULIZ-ZDEQEGDKSA-N 2 2 319.413 -1.044 20 0 DAADLP Cn1nnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077771 662619715 /nfs/dbraw/zinc/61/97/15/662619715.db2.gz XENRYLCADTULIZ-ZDEQEGDKSA-N 2 2 319.413 -1.044 20 0 DAADLP Cn1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979077771 662619716 /nfs/dbraw/zinc/61/97/16/662619716.db2.gz XENRYLCADTULIZ-ZDEQEGDKSA-N 2 2 319.413 -1.044 20 0 DAADLP Cn1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979077771 662619717 /nfs/dbraw/zinc/61/97/17/662619717.db2.gz XENRYLCADTULIZ-ZDEQEGDKSA-N 2 2 319.413 -1.044 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000980412422 662636684 /nfs/dbraw/zinc/63/66/84/662636684.db2.gz JREGPHJUOAIGOX-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000980412422 662636688 /nfs/dbraw/zinc/63/66/88/662636688.db2.gz JREGPHJUOAIGOX-CHWSQXEVSA-N 2 2 312.414 -1.027 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464874 662672637 /nfs/dbraw/zinc/67/26/37/662672637.db2.gz GRPINOKVUPZBPW-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC001028464874 662672638 /nfs/dbraw/zinc/67/26/38/662672638.db2.gz GRPINOKVUPZBPW-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464874 662672640 /nfs/dbraw/zinc/67/26/40/662672640.db2.gz GRPINOKVUPZBPW-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464874 662672641 /nfs/dbraw/zinc/67/26/41/662672641.db2.gz GRPINOKVUPZBPW-KBPBESRZSA-N 2 2 324.425 -1.013 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000983392335 662694025 /nfs/dbraw/zinc/69/40/25/662694025.db2.gz WRNMWTMOVKTXIJ-IJLUTSLNSA-N 2 2 323.401 -1.475 20 0 DAADLP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000983392335 662694027 /nfs/dbraw/zinc/69/40/27/662694027.db2.gz WRNMWTMOVKTXIJ-IJLUTSLNSA-N 2 2 323.401 -1.475 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995242 662695274 /nfs/dbraw/zinc/69/52/74/662695274.db2.gz JWZUHDAREAHEDI-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC)C2)C1 ZINC001028995242 662695275 /nfs/dbraw/zinc/69/52/75/662695275.db2.gz JWZUHDAREAHEDI-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC)C2)C1 ZINC001028995242 662695277 /nfs/dbraw/zinc/69/52/77/662695277.db2.gz JWZUHDAREAHEDI-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995242 662695278 /nfs/dbraw/zinc/69/52/78/662695278.db2.gz JWZUHDAREAHEDI-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCNC2=O)C1 ZINC001029254903 662698294 /nfs/dbraw/zinc/69/82/94/662698294.db2.gz GPSIAFBBFHSAKP-RFQIPJPRSA-N 2 2 322.409 -1.119 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCNC2=O)C1 ZINC001029254903 662698295 /nfs/dbraw/zinc/69/82/95/662698295.db2.gz GPSIAFBBFHSAKP-RFQIPJPRSA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)C1 ZINC001029254903 662698297 /nfs/dbraw/zinc/69/82/97/662698297.db2.gz GPSIAFBBFHSAKP-RFQIPJPRSA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)C1 ZINC001029254903 662698298 /nfs/dbraw/zinc/69/82/98/662698298.db2.gz GPSIAFBBFHSAKP-RFQIPJPRSA-N 2 2 322.409 -1.119 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCNC2=O)C1 ZINC001029254902 662698541 /nfs/dbraw/zinc/69/85/41/662698541.db2.gz GPSIAFBBFHSAKP-CRWXNKLISA-N 2 2 322.409 -1.119 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCNC2=O)C1 ZINC001029254902 662698542 /nfs/dbraw/zinc/69/85/42/662698542.db2.gz GPSIAFBBFHSAKP-CRWXNKLISA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)C1 ZINC001029254902 662698543 /nfs/dbraw/zinc/69/85/43/662698543.db2.gz GPSIAFBBFHSAKP-CRWXNKLISA-N 2 2 322.409 -1.119 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)C1 ZINC001029254902 662698544 /nfs/dbraw/zinc/69/85/44/662698544.db2.gz GPSIAFBBFHSAKP-CRWXNKLISA-N 2 2 322.409 -1.119 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990615598 662767042 /nfs/dbraw/zinc/76/70/42/662767042.db2.gz CZVBXJXEFHEYED-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000990615598 662767045 /nfs/dbraw/zinc/76/70/45/662767045.db2.gz CZVBXJXEFHEYED-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990615598 662767047 /nfs/dbraw/zinc/76/70/47/662767047.db2.gz CZVBXJXEFHEYED-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990615598 662767049 /nfs/dbraw/zinc/76/70/49/662767049.db2.gz CZVBXJXEFHEYED-QWHCGFSZSA-N 2 2 310.398 -1.262 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628947 662768923 /nfs/dbraw/zinc/76/89/23/662768923.db2.gz HLVJTUCRCRNVQT-GXTWGEPZSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000990628947 662768924 /nfs/dbraw/zinc/76/89/24/662768924.db2.gz HLVJTUCRCRNVQT-GXTWGEPZSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990628947 662768927 /nfs/dbraw/zinc/76/89/27/662768927.db2.gz HLVJTUCRCRNVQT-GXTWGEPZSA-N 2 2 324.425 -1.014 20 0 DAADLP C[C@H]1CC[NH+](CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990628947 662768929 /nfs/dbraw/zinc/76/89/29/662768929.db2.gz HLVJTUCRCRNVQT-GXTWGEPZSA-N 2 2 324.425 -1.014 20 0 DAADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000900566316 662778167 /nfs/dbraw/zinc/77/81/67/662778167.db2.gz RBDVWRLQEPLOME-OAHLLOKOSA-N 2 2 312.414 -1.147 20 0 DAADLP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000900566316 662778169 /nfs/dbraw/zinc/77/81/69/662778169.db2.gz RBDVWRLQEPLOME-OAHLLOKOSA-N 2 2 312.414 -1.147 20 0 DAADLP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000900566316 662778171 /nfs/dbraw/zinc/77/81/71/662778171.db2.gz RBDVWRLQEPLOME-OAHLLOKOSA-N 2 2 312.414 -1.147 20 0 DAADLP C[NH+]1CCC[C@@](O)(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000900566316 662778172 /nfs/dbraw/zinc/77/81/72/662778172.db2.gz RBDVWRLQEPLOME-OAHLLOKOSA-N 2 2 312.414 -1.147 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903793783 662790698 /nfs/dbraw/zinc/79/06/98/662790698.db2.gz SHEGSTGCBJEBIZ-RYUDHWBXSA-N 2 2 312.414 -1.293 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000905008882 662793008 /nfs/dbraw/zinc/79/30/08/662793008.db2.gz ARVYONBUCBZVDR-BBRMVZONSA-N 2 2 324.425 -1.134 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000905013722 662793239 /nfs/dbraw/zinc/79/32/39/662793239.db2.gz HFVBGWQNOBZRMR-CYBMUJFWSA-N 2 2 310.398 -1.260 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000905017815 662793652 /nfs/dbraw/zinc/79/36/52/662793652.db2.gz WTTWCRFSHZWZTP-ZDUSSCGKSA-N 2 2 312.414 -1.014 20 0 DAADLP COCC[NH2+]CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905343505 662795297 /nfs/dbraw/zinc/79/52/97/662795297.db2.gz JJKDORUHXBLHAU-UHFFFAOYSA-N 2 2 309.432 -1.136 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000910922961 663134959 /nfs/dbraw/zinc/13/49/59/663134959.db2.gz IEGTTZLLWLGNAV-UONOGXRCSA-N 2 2 324.425 -1.182 20 0 DAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910922961 663134960 /nfs/dbraw/zinc/13/49/60/663134960.db2.gz IEGTTZLLWLGNAV-UONOGXRCSA-N 2 2 324.425 -1.182 20 0 DAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000911137341 663137718 /nfs/dbraw/zinc/13/77/18/663137718.db2.gz FHDKFFUASSRGRW-LBPRGKRZSA-N 2 2 309.370 -1.245 20 0 DAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000911248546 663140408 /nfs/dbraw/zinc/14/04/08/663140408.db2.gz XKZQNEUUFNZDLX-GFCCVEGCSA-N 2 2 309.370 -1.164 20 0 DAADLP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000911412001 663144195 /nfs/dbraw/zinc/14/41/95/663144195.db2.gz VUIUEBSLEGMFBT-UHFFFAOYSA-N 2 2 323.441 -1.168 20 0 DAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911550356 663148659 /nfs/dbraw/zinc/14/86/59/663148659.db2.gz SFKRVMRRCVAOHV-FRRDWIJNSA-N 2 2 310.398 -1.214 20 0 DAADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912616179 663154293 /nfs/dbraw/zinc/15/42/93/663154293.db2.gz XVLRHIVTHIOQAV-RYUDHWBXSA-N 2 2 323.397 -1.020 20 0 DAADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000912616178 663154469 /nfs/dbraw/zinc/15/44/69/663154469.db2.gz XVLRHIVTHIOQAV-NWDGAFQWSA-N 2 2 323.397 -1.020 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1=O ZINC000912743756 663155167 /nfs/dbraw/zinc/15/51/67/663155167.db2.gz FEEQJPCZAZCHQU-CHWSQXEVSA-N 2 2 312.414 -1.469 20 0 DAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1=O ZINC000912743756 663155168 /nfs/dbraw/zinc/15/51/68/663155168.db2.gz FEEQJPCZAZCHQU-CHWSQXEVSA-N 2 2 312.414 -1.469 20 0 DAADLP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000929864116 663254420 /nfs/dbraw/zinc/25/44/20/663254420.db2.gz UMFJSBNNXMXPHP-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000929864116 663254421 /nfs/dbraw/zinc/25/44/21/663254421.db2.gz UMFJSBNNXMXPHP-CHWSQXEVSA-N 2 2 312.414 -1.109 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031388422 663289008 /nfs/dbraw/zinc/28/90/08/663289008.db2.gz YBHZFMHTWVSJHA-JSGCOSHPSA-N 2 2 307.398 -1.004 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031388422 663289010 /nfs/dbraw/zinc/28/90/10/663289010.db2.gz YBHZFMHTWVSJHA-JSGCOSHPSA-N 2 2 307.398 -1.004 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031388424 663289305 /nfs/dbraw/zinc/28/93/05/663289305.db2.gz YBHZFMHTWVSJHA-TZMCWYRMSA-N 2 2 307.398 -1.004 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031388424 663289308 /nfs/dbraw/zinc/28/93/08/663289308.db2.gz YBHZFMHTWVSJHA-TZMCWYRMSA-N 2 2 307.398 -1.004 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031584325 663300638 /nfs/dbraw/zinc/30/06/38/663300638.db2.gz BQYFGVIHPNDJJJ-RYUDHWBXSA-N 2 2 308.382 -1.066 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031584325 663300641 /nfs/dbraw/zinc/30/06/41/663300641.db2.gz BQYFGVIHPNDJJJ-RYUDHWBXSA-N 2 2 308.382 -1.066 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCN3CCCC3=O)C2)C1 ZINC001031594023 663301136 /nfs/dbraw/zinc/30/11/36/663301136.db2.gz RROAMMXLKHKIRY-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCN3CCCC3=O)C2)C1 ZINC001031594023 663301139 /nfs/dbraw/zinc/30/11/39/663301139.db2.gz RROAMMXLKHKIRY-AWEZNQCLSA-N 2 2 324.425 -1.013 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001031595263 663301912 /nfs/dbraw/zinc/30/19/12/663301912.db2.gz SKOHDWXLVKGSMR-QWHCGFSZSA-N 2 2 310.398 -1.356 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001031595263 663301916 /nfs/dbraw/zinc/30/19/16/663301916.db2.gz SKOHDWXLVKGSMR-QWHCGFSZSA-N 2 2 310.398 -1.356 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001031596974 663302020 /nfs/dbraw/zinc/30/20/20/663302020.db2.gz TWEJACAJPIYNAH-ZDUSSCGKSA-N 2 2 308.386 -1.343 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001031596974 663302022 /nfs/dbraw/zinc/30/20/22/663302022.db2.gz TWEJACAJPIYNAH-ZDUSSCGKSA-N 2 2 308.386 -1.343 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031677350 663307318 /nfs/dbraw/zinc/30/73/18/663307318.db2.gz HVRCANNUVKVPKS-UHFFFAOYSA-N 2 2 322.413 -1.148 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689383 663307915 /nfs/dbraw/zinc/30/79/15/663307915.db2.gz VERHWSVJTAQXBR-OLZOCXBDSA-N 2 2 310.398 -1.356 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689383 663307920 /nfs/dbraw/zinc/30/79/20/663307920.db2.gz VERHWSVJTAQXBR-OLZOCXBDSA-N 2 2 310.398 -1.356 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689384 663307987 /nfs/dbraw/zinc/30/79/87/663307987.db2.gz VERHWSVJTAQXBR-QWHCGFSZSA-N 2 2 310.398 -1.356 20 0 DAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689384 663307993 /nfs/dbraw/zinc/30/79/93/663307993.db2.gz VERHWSVJTAQXBR-QWHCGFSZSA-N 2 2 310.398 -1.356 20 0 DAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856707 663365142 /nfs/dbraw/zinc/36/51/42/663365142.db2.gz GNCRGWIVCICKGT-WBFHCKIUSA-N 2 2 308.382 -1.617 20 0 DAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856707 663365145 /nfs/dbraw/zinc/36/51/45/663365145.db2.gz GNCRGWIVCICKGT-WBFHCKIUSA-N 2 2 308.382 -1.617 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032202191 663452320 /nfs/dbraw/zinc/45/23/20/663452320.db2.gz OXDYKUCVGQUQJR-OLZOCXBDSA-N 2 2 310.398 -1.356 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032202191 663452323 /nfs/dbraw/zinc/45/23/23/663452323.db2.gz OXDYKUCVGQUQJR-OLZOCXBDSA-N 2 2 310.398 -1.356 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032684294 663558171 /nfs/dbraw/zinc/55/81/71/663558171.db2.gz JUBDNJRTVFTJRB-MELADBBJSA-N 2 2 322.409 -1.118 20 0 DAADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032684294 663558173 /nfs/dbraw/zinc/55/81/73/663558173.db2.gz JUBDNJRTVFTJRB-MELADBBJSA-N 2 2 322.409 -1.118 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550163 663589777 /nfs/dbraw/zinc/58/97/77/663589777.db2.gz IKHFIXHHCYIFQS-KBPBESRZSA-N 2 2 322.409 -1.046 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550163 663589778 /nfs/dbraw/zinc/58/97/78/663589778.db2.gz IKHFIXHHCYIFQS-KBPBESRZSA-N 2 2 322.409 -1.046 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550163 663589779 /nfs/dbraw/zinc/58/97/79/663589779.db2.gz IKHFIXHHCYIFQS-KBPBESRZSA-N 2 2 322.409 -1.046 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550163 663589780 /nfs/dbraw/zinc/58/97/80/663589780.db2.gz IKHFIXHHCYIFQS-KBPBESRZSA-N 2 2 322.409 -1.046 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032814956 663602288 /nfs/dbraw/zinc/60/22/88/663602288.db2.gz RKUYHPFLQFTBHF-SRVKXCTJSA-N 2 2 317.349 -1.027 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032814956 663602293 /nfs/dbraw/zinc/60/22/93/663602293.db2.gz RKUYHPFLQFTBHF-SRVKXCTJSA-N 2 2 317.349 -1.027 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001002523356 663615895 /nfs/dbraw/zinc/61/58/95/663615895.db2.gz NMNZGHPZMBNCMA-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001002523356 663615897 /nfs/dbraw/zinc/61/58/97/663615897.db2.gz NMNZGHPZMBNCMA-OLZOCXBDSA-N 2 2 310.398 -1.214 20 0 DAADLP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033277810 663656825 /nfs/dbraw/zinc/65/68/25/663656825.db2.gz HRYKLXYJWYGBQE-LGESCRJUSA-N 2 2 322.409 -1.132 20 0 DAADLP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033277810 663656828 /nfs/dbraw/zinc/65/68/28/663656828.db2.gz HRYKLXYJWYGBQE-LGESCRJUSA-N 2 2 322.409 -1.132 20 0 DAADLP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033277810 663656831 /nfs/dbraw/zinc/65/68/31/663656831.db2.gz HRYKLXYJWYGBQE-LGESCRJUSA-N 2 2 322.409 -1.132 20 0 DAADLP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033277810 663656833 /nfs/dbraw/zinc/65/68/33/663656833.db2.gz HRYKLXYJWYGBQE-LGESCRJUSA-N 2 2 322.409 -1.132 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035608084 663688503 /nfs/dbraw/zinc/68/85/03/663688503.db2.gz YALPCUQHJVYNTB-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035608084 663688504 /nfs/dbraw/zinc/68/85/04/663688504.db2.gz YALPCUQHJVYNTB-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001035608084 663688506 /nfs/dbraw/zinc/68/85/06/663688506.db2.gz YALPCUQHJVYNTB-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001035608084 663688508 /nfs/dbraw/zinc/68/85/08/663688508.db2.gz YALPCUQHJVYNTB-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035608080 663688556 /nfs/dbraw/zinc/68/85/56/663688556.db2.gz YALPCUQHJVYNTB-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001035608080 663688557 /nfs/dbraw/zinc/68/85/57/663688557.db2.gz YALPCUQHJVYNTB-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001035608080 663688558 /nfs/dbraw/zinc/68/85/58/663688558.db2.gz YALPCUQHJVYNTB-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001035608080 663688559 /nfs/dbraw/zinc/68/85/59/663688559.db2.gz YALPCUQHJVYNTB-KBPBESRZSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001035608082 663688634 /nfs/dbraw/zinc/68/86/34/663688634.db2.gz YALPCUQHJVYNTB-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001035608082 663688636 /nfs/dbraw/zinc/68/86/36/663688636.db2.gz YALPCUQHJVYNTB-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)C1 ZINC001035608082 663688639 /nfs/dbraw/zinc/68/86/39/663688639.db2.gz YALPCUQHJVYNTB-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001035608082 663688640 /nfs/dbraw/zinc/68/86/40/663688640.db2.gz YALPCUQHJVYNTB-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000923398007 663696595 /nfs/dbraw/zinc/69/65/95/663696595.db2.gz IKUNTYIDYJVIHC-AWEZNQCLSA-N 2 2 322.413 -1.113 20 0 DAADLP O=C(NC1CC1)C(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923305939 663696639 /nfs/dbraw/zinc/69/66/39/663696639.db2.gz MLRRLPSWKSEQDB-CYBMUJFWSA-N 2 2 322.409 -1.212 20 0 DAADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000923333326 663696705 /nfs/dbraw/zinc/69/67/05/663696705.db2.gz QRKJNFMIEPIQFC-LBPRGKRZSA-N 2 2 323.397 -1.223 20 0 DAADLP CN1CC(=O)N(CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000923333326 663696707 /nfs/dbraw/zinc/69/67/07/663696707.db2.gz QRKJNFMIEPIQFC-LBPRGKRZSA-N 2 2 323.397 -1.223 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000775098978 663821387 /nfs/dbraw/zinc/82/13/87/663821387.db2.gz IUVQCCLNILJXAU-OLZOCXBDSA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000775098978 663821391 /nfs/dbraw/zinc/82/13/91/663821391.db2.gz IUVQCCLNILJXAU-OLZOCXBDSA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000775098980 663821631 /nfs/dbraw/zinc/82/16/31/663821631.db2.gz IUVQCCLNILJXAU-STQMWFEESA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000775098980 663821633 /nfs/dbraw/zinc/82/16/33/663821633.db2.gz IUVQCCLNILJXAU-STQMWFEESA-N 2 2 321.381 -1.021 20 0 DAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414305 663867873 /nfs/dbraw/zinc/86/78/73/663867873.db2.gz SQAFTUSCUGBNJO-PWSUYJOCSA-N 2 2 323.397 -1.131 20 0 DAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414305 663867876 /nfs/dbraw/zinc/86/78/76/663867876.db2.gz SQAFTUSCUGBNJO-PWSUYJOCSA-N 2 2 323.397 -1.131 20 0 DAADLP C[N@H+](CCO)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000829751039 663871113 /nfs/dbraw/zinc/87/11/13/663871113.db2.gz WQOYFLJZCHYFLX-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000829751039 663871115 /nfs/dbraw/zinc/87/11/15/663871115.db2.gz WQOYFLJZCHYFLX-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP O=S(=O)(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCOCC1 ZINC000863550664 663924934 /nfs/dbraw/zinc/92/49/34/663924934.db2.gz CXOKKPMCBUZZEN-CYBMUJFWSA-N 2 2 321.443 -1.305 20 0 DAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418786 663934045 /nfs/dbraw/zinc/93/40/45/663934045.db2.gz KOEFEXWBDNTWTQ-MJBXVCDLSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000923617797 663936821 /nfs/dbraw/zinc/93/68/21/663936821.db2.gz PAQPIDTXCZIKBY-LBPRGKRZSA-N 2 2 306.432 -1.306 20 0 DAADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000923627927 663938292 /nfs/dbraw/zinc/93/82/92/663938292.db2.gz YDALBJKIAWYKJY-CYBMUJFWSA-N 2 2 318.443 -1.210 20 0 DAADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873266382 663941030 /nfs/dbraw/zinc/94/10/30/663941030.db2.gz MYDBRLLQNUGFTQ-VNHYZAJKSA-N 2 2 313.398 -1.029 20 0 DAADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876951159 663949468 /nfs/dbraw/zinc/94/94/68/663949468.db2.gz FVMHEAWHSDFUGS-ZDUSSCGKSA-N 2 2 302.419 -1.318 20 0 DAADLP COC[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000876966273 663949558 /nfs/dbraw/zinc/94/95/58/663949558.db2.gz OJAOKHWZJZYXFJ-ZFWWWQNUSA-N 2 2 313.398 -1.076 20 0 DAADLP COC[C@@]1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C[NH2+]CCO1 ZINC000876961730 663949565 /nfs/dbraw/zinc/94/95/65/663949565.db2.gz WKZSDRWHCFZVJN-OAHLLOKOSA-N 3 2 316.446 -1.009 20 0 DAADLP COC[C@@]1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C[NH2+]CCO1 ZINC000876961730 663949567 /nfs/dbraw/zinc/94/95/67/663949567.db2.gz WKZSDRWHCFZVJN-OAHLLOKOSA-N 3 2 316.446 -1.009 20 0 DAADLP CCN(C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1)[C@H]1CC[NH2+]C1 ZINC000887068582 663975882 /nfs/dbraw/zinc/97/58/82/663975882.db2.gz OILBXBZHMAQJGA-STQMWFEESA-N 2 2 312.414 -1.278 20 0 DAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000926310228 663981224 /nfs/dbraw/zinc/98/12/24/663981224.db2.gz GAKSKZLCWWXWHA-UHFFFAOYSA-N 2 2 323.441 -1.438 20 0 DAADLP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000926294966 663981461 /nfs/dbraw/zinc/98/14/61/663981461.db2.gz LRQYWXFQDRFNQX-HNNXBMFYSA-N 2 2 310.398 -1.395 20 0 DAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000925414692 663981771 /nfs/dbraw/zinc/98/17/71/663981771.db2.gz BBPIPGZOODUAKX-NWDGAFQWSA-N 2 2 313.402 -1.482 20 0 DAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000925414692 663981774 /nfs/dbraw/zinc/98/17/74/663981774.db2.gz BBPIPGZOODUAKX-NWDGAFQWSA-N 2 2 313.402 -1.482 20 0 DAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000925414692 663981776 /nfs/dbraw/zinc/98/17/76/663981776.db2.gz BBPIPGZOODUAKX-NWDGAFQWSA-N 2 2 313.402 -1.482 20 0 DAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000925414692 663981777 /nfs/dbraw/zinc/98/17/77/663981777.db2.gz BBPIPGZOODUAKX-NWDGAFQWSA-N 2 2 313.402 -1.482 20 0 DAADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926334235 663982809 /nfs/dbraw/zinc/98/28/09/663982809.db2.gz UFGUFBOTNGVJNJ-FRRDWIJNSA-N 2 2 312.414 -1.029 20 0 DAADLP COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1C ZINC000926334235 663982814 /nfs/dbraw/zinc/98/28/14/663982814.db2.gz UFGUFBOTNGVJNJ-FRRDWIJNSA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000926358752 663983757 /nfs/dbraw/zinc/98/37/57/663983757.db2.gz FLUMDACWSDZXSD-SYQHCUMBSA-N 2 2 324.425 -1.029 20 0 DAADLP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)C(=O)N(C)C ZINC000931485111 663993962 /nfs/dbraw/zinc/99/39/62/663993962.db2.gz YZLMQUUGCHCUGR-GFCCVEGCSA-N 2 2 314.430 -1.032 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)no1 ZINC000958199926 664244038 /nfs/dbraw/zinc/24/40/38/664244038.db2.gz NCRJVJOQSDNDFQ-GXFFZTMASA-N 2 2 312.370 -1.249 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)no1 ZINC000958199926 664244039 /nfs/dbraw/zinc/24/40/39/664244039.db2.gz NCRJVJOQSDNDFQ-GXFFZTMASA-N 2 2 312.370 -1.249 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)O1 ZINC000960526275 664321466 /nfs/dbraw/zinc/32/14/66/664321466.db2.gz LFDBYELMZIORLP-VVSAWPALSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C)C[C@H]32)O1 ZINC000960526275 664321470 /nfs/dbraw/zinc/32/14/70/664321470.db2.gz LFDBYELMZIORLP-VVSAWPALSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)O1 ZINC000960526275 664321474 /nfs/dbraw/zinc/32/14/74/664321474.db2.gz LFDBYELMZIORLP-VVSAWPALSA-N 2 2 324.425 -1.160 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)O1 ZINC000960526275 664321481 /nfs/dbraw/zinc/32/14/81/664321481.db2.gz LFDBYELMZIORLP-VVSAWPALSA-N 2 2 324.425 -1.160 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962290545 664372378 /nfs/dbraw/zinc/37/23/78/664372378.db2.gz BUFIEJPEPSLVLK-KZVDOYCCSA-N 2 2 303.366 -1.103 20 0 DAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962290545 664372379 /nfs/dbraw/zinc/37/23/79/664372379.db2.gz BUFIEJPEPSLVLK-KZVDOYCCSA-N 2 2 303.366 -1.103 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000963383754 664390211 /nfs/dbraw/zinc/39/02/11/664390211.db2.gz VAGCODKMMGWTPL-UHTWSYAYSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000963383754 664390213 /nfs/dbraw/zinc/39/02/13/664390213.db2.gz VAGCODKMMGWTPL-UHTWSYAYSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)C1 ZINC000963420308 664390466 /nfs/dbraw/zinc/39/04/66/664390466.db2.gz KYMKWLAOISNTTN-TUAOUCFPSA-N 2 2 321.381 -1.408 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)C1 ZINC000963420308 664390470 /nfs/dbraw/zinc/39/04/70/664390470.db2.gz KYMKWLAOISNTTN-TUAOUCFPSA-N 2 2 321.381 -1.408 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000963513666 664392394 /nfs/dbraw/zinc/39/23/94/664392394.db2.gz LDDNLODMQRECLM-OLZOCXBDSA-N 2 2 321.381 -1.264 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC000967924880 664467892 /nfs/dbraw/zinc/46/78/92/664467892.db2.gz JZODQQRZGUVOSX-GHMZBOCLSA-N 2 2 308.386 -1.107 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC000967924880 664467894 /nfs/dbraw/zinc/46/78/94/664467894.db2.gz JZODQQRZGUVOSX-GHMZBOCLSA-N 2 2 308.386 -1.107 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC000967924884 664467914 /nfs/dbraw/zinc/46/79/14/664467914.db2.gz JZODQQRZGUVOSX-MNOVXSKESA-N 2 2 308.386 -1.107 20 0 DAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC000967924884 664467918 /nfs/dbraw/zinc/46/79/18/664467918.db2.gz JZODQQRZGUVOSX-MNOVXSKESA-N 2 2 308.386 -1.107 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326398 664561837 /nfs/dbraw/zinc/56/18/37/664561837.db2.gz ZOAMMUAKNSCKHL-BTJONVMOSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326398 664561838 /nfs/dbraw/zinc/56/18/38/664561838.db2.gz ZOAMMUAKNSCKHL-BTJONVMOSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015326398 664561839 /nfs/dbraw/zinc/56/18/39/664561839.db2.gz ZOAMMUAKNSCKHL-BTJONVMOSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326398 664561840 /nfs/dbraw/zinc/56/18/40/664561840.db2.gz ZOAMMUAKNSCKHL-BTJONVMOSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326404 664561953 /nfs/dbraw/zinc/56/19/53/664561953.db2.gz ZOAMMUAKNSCKHL-LGESCRJUSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326404 664561955 /nfs/dbraw/zinc/56/19/55/664561955.db2.gz ZOAMMUAKNSCKHL-LGESCRJUSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015326404 664561957 /nfs/dbraw/zinc/56/19/57/664561957.db2.gz ZOAMMUAKNSCKHL-LGESCRJUSA-N 2 2 322.409 -1.214 20 0 DAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326404 664561959 /nfs/dbraw/zinc/56/19/59/664561959.db2.gz ZOAMMUAKNSCKHL-LGESCRJUSA-N 2 2 322.409 -1.214 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001016251708 664572865 /nfs/dbraw/zinc/57/28/65/664572865.db2.gz NERYSWXSBDDOEB-GFCCVEGCSA-N 2 2 323.397 -1.176 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016251708 664572867 /nfs/dbraw/zinc/57/28/67/664572867.db2.gz NERYSWXSBDDOEB-GFCCVEGCSA-N 2 2 323.397 -1.176 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001018663935 664588526 /nfs/dbraw/zinc/58/85/26/664588526.db2.gz URVFJEYVWXSWFE-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001018663935 664588529 /nfs/dbraw/zinc/58/85/29/664588529.db2.gz URVFJEYVWXSWFE-QWHCGFSZSA-N 2 2 310.398 -1.260 20 0 DAADLP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001018666073 664588593 /nfs/dbraw/zinc/58/85/93/664588593.db2.gz ZWGSPZZTCNDUKZ-AAEUAGOBSA-N 2 2 308.386 -1.164 20 0 DAADLP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001018666073 664588597 /nfs/dbraw/zinc/58/85/97/664588597.db2.gz ZWGSPZZTCNDUKZ-AAEUAGOBSA-N 2 2 308.386 -1.164 20 0 DAADLP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001018666074 664588692 /nfs/dbraw/zinc/58/86/92/664588692.db2.gz ZWGSPZZTCNDUKZ-WCQYABFASA-N 2 2 308.386 -1.164 20 0 DAADLP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001018666074 664588694 /nfs/dbraw/zinc/58/86/94/664588694.db2.gz ZWGSPZZTCNDUKZ-WCQYABFASA-N 2 2 308.386 -1.164 20 0 DAADLP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518636 664601706 /nfs/dbraw/zinc/60/17/06/664601706.db2.gz WZGRNJZJGAPYQY-LBPRGKRZSA-N 2 2 323.401 -1.377 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019565979 664602774 /nfs/dbraw/zinc/60/27/74/664602774.db2.gz LYYNYYORSCSQTR-VHSXEESVSA-N 2 2 305.338 -1.052 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001019800596 664605024 /nfs/dbraw/zinc/60/50/24/664605024.db2.gz QOMKCDWPZDISNC-RYUDHWBXSA-N 2 2 323.401 -1.379 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001019800596 664605026 /nfs/dbraw/zinc/60/50/26/664605026.db2.gz QOMKCDWPZDISNC-RYUDHWBXSA-N 2 2 323.401 -1.379 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019867722 664605709 /nfs/dbraw/zinc/60/57/09/664605709.db2.gz HCFRVXIPEYJNDT-QWRGUYRKSA-N 2 2 305.338 -1.121 20 0 DAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019868767 664605853 /nfs/dbraw/zinc/60/58/53/664605853.db2.gz LIWPHRKAVAKJCW-ZDUSSCGKSA-N 2 2 321.381 -1.068 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045531 664608093 /nfs/dbraw/zinc/60/80/93/664608093.db2.gz DMSJLHNMPRHCOD-NQBHXWOUSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045531 664608097 /nfs/dbraw/zinc/60/80/97/664608097.db2.gz DMSJLHNMPRHCOD-NQBHXWOUSA-N 2 2 308.386 -1.118 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)c1nnnn1C ZINC001020045746 664608297 /nfs/dbraw/zinc/60/82/97/664608297.db2.gz KATMWYAJUIOIHP-DDHJBXDOSA-N 2 2 323.401 -1.162 20 0 DAADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1nnnn1C ZINC001020045746 664608298 /nfs/dbraw/zinc/60/82/98/664608298.db2.gz KATMWYAJUIOIHP-DDHJBXDOSA-N 2 2 323.401 -1.162 20 0 DAADLP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045429 664608348 /nfs/dbraw/zinc/60/83/48/664608348.db2.gz BJUIAJNVGYYJAN-IJLUTSLNSA-N 2 2 308.386 -1.118 20 0 DAADLP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045429 664608350 /nfs/dbraw/zinc/60/83/50/664608350.db2.gz BJUIAJNVGYYJAN-IJLUTSLNSA-N 2 2 308.386 -1.118 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481426 678078749 /nfs/dbraw/zinc/07/87/49/678078749.db2.gz IFTRFKGNNSOQLW-UPJWGTAASA-N 2 2 301.387 -1.221 20 0 DAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481426 678078752 /nfs/dbraw/zinc/07/87/52/678078752.db2.gz IFTRFKGNNSOQLW-UPJWGTAASA-N 2 2 301.387 -1.221 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481426 678078754 /nfs/dbraw/zinc/07/87/54/678078754.db2.gz IFTRFKGNNSOQLW-UPJWGTAASA-N 2 2 301.387 -1.221 20 0 DAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481426 678078757 /nfs/dbraw/zinc/07/87/57/678078757.db2.gz IFTRFKGNNSOQLW-UPJWGTAASA-N 2 2 301.387 -1.221 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547655 677683204 /nfs/dbraw/zinc/68/32/04/677683204.db2.gz QDZDWNMIHMMLLN-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547655 677683205 /nfs/dbraw/zinc/68/32/05/677683205.db2.gz QDZDWNMIHMMLLN-GFCCVEGCSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001058709065 677686964 /nfs/dbraw/zinc/68/69/64/677686964.db2.gz GKJMJKVKTMBIFM-UHFFFAOYSA-N 2 2 311.386 -1.228 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083372952 677692072 /nfs/dbraw/zinc/69/20/72/677692072.db2.gz MGEPFWXFJNFQOR-AGIUHOORSA-N 2 2 308.386 -1.466 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083372952 677692073 /nfs/dbraw/zinc/69/20/73/677692073.db2.gz MGEPFWXFJNFQOR-AGIUHOORSA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083372952 677692074 /nfs/dbraw/zinc/69/20/74/677692074.db2.gz MGEPFWXFJNFQOR-AGIUHOORSA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083372952 677692075 /nfs/dbraw/zinc/69/20/75/677692075.db2.gz MGEPFWXFJNFQOR-AGIUHOORSA-N 2 2 308.386 -1.466 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372754 677692086 /nfs/dbraw/zinc/69/20/86/677692086.db2.gz CWSHOUYBLSWXFP-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372754 677692087 /nfs/dbraw/zinc/69/20/87/677692087.db2.gz CWSHOUYBLSWXFP-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372754 677692088 /nfs/dbraw/zinc/69/20/88/677692088.db2.gz CWSHOUYBLSWXFP-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083372754 677692089 /nfs/dbraw/zinc/69/20/89/677692089.db2.gz CWSHOUYBLSWXFP-MCIONIFRSA-N 2 2 324.425 -1.136 20 0 DAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083478099 677724915 /nfs/dbraw/zinc/72/49/15/677724915.db2.gz UXQLHJIDCDTLQH-OLZOCXBDSA-N 2 2 308.382 -1.085 20 0 DAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083478099 677724918 /nfs/dbraw/zinc/72/49/18/677724918.db2.gz UXQLHJIDCDTLQH-OLZOCXBDSA-N 2 2 308.382 -1.085 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076576690 677744888 /nfs/dbraw/zinc/74/48/88/677744888.db2.gz WEIADOACEOFCTF-HZSPNIEDSA-N 2 2 324.425 -1.027 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076576690 677744890 /nfs/dbraw/zinc/74/48/90/677744890.db2.gz WEIADOACEOFCTF-HZSPNIEDSA-N 2 2 324.425 -1.027 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001076805349 677757850 /nfs/dbraw/zinc/75/78/50/677757850.db2.gz CWSHOUYBLSWXFP-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001076805349 677757852 /nfs/dbraw/zinc/75/78/52/677757852.db2.gz CWSHOUYBLSWXFP-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076805349 677757853 /nfs/dbraw/zinc/75/78/53/677757853.db2.gz CWSHOUYBLSWXFP-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076805349 677757854 /nfs/dbraw/zinc/75/78/54/677757854.db2.gz CWSHOUYBLSWXFP-MGPQQGTHSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001076805555 677758417 /nfs/dbraw/zinc/75/84/17/677758417.db2.gz MGEPFWXFJNFQOR-FRRDWIJNSA-N 2 2 308.386 -1.466 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001076805555 677758419 /nfs/dbraw/zinc/75/84/19/677758419.db2.gz MGEPFWXFJNFQOR-FRRDWIJNSA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076805555 677758420 /nfs/dbraw/zinc/75/84/20/677758420.db2.gz MGEPFWXFJNFQOR-FRRDWIJNSA-N 2 2 308.386 -1.466 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076805555 677758422 /nfs/dbraw/zinc/75/84/22/677758422.db2.gz MGEPFWXFJNFQOR-FRRDWIJNSA-N 2 2 308.386 -1.466 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838970 677761670 /nfs/dbraw/zinc/76/16/70/677761670.db2.gz VCQASSVKALMIFV-MGPQQGTHSA-N 2 2 323.397 -1.625 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838970 677761673 /nfs/dbraw/zinc/76/16/73/677761673.db2.gz VCQASSVKALMIFV-MGPQQGTHSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838970 677761676 /nfs/dbraw/zinc/76/16/76/677761676.db2.gz VCQASSVKALMIFV-MGPQQGTHSA-N 2 2 323.397 -1.625 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838970 677761679 /nfs/dbraw/zinc/76/16/79/677761679.db2.gz VCQASSVKALMIFV-MGPQQGTHSA-N 2 2 323.397 -1.625 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003225 677778626 /nfs/dbraw/zinc/77/86/26/677778626.db2.gz ZFOMCBTXAWLKGP-BFHYXJOUSA-N 2 2 324.425 -1.422 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003225 677778628 /nfs/dbraw/zinc/77/86/28/677778628.db2.gz ZFOMCBTXAWLKGP-BFHYXJOUSA-N 2 2 324.425 -1.422 20 0 DAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220049 677791661 /nfs/dbraw/zinc/79/16/61/677791661.db2.gz CQHMXXGADBGYFR-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220049 677791664 /nfs/dbraw/zinc/79/16/64/677791664.db2.gz CQHMXXGADBGYFR-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077220049 677791666 /nfs/dbraw/zinc/79/16/66/677791666.db2.gz CQHMXXGADBGYFR-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077220049 677791669 /nfs/dbraw/zinc/79/16/69/677791669.db2.gz CQHMXXGADBGYFR-FDYHWXHSSA-N 2 2 301.387 -1.487 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260682 677794501 /nfs/dbraw/zinc/79/45/01/677794501.db2.gz QPUFQVLWSSCTMH-MRVWCRGKSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260682 677794503 /nfs/dbraw/zinc/79/45/03/677794503.db2.gz QPUFQVLWSSCTMH-MRVWCRGKSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260681 677794581 /nfs/dbraw/zinc/79/45/81/677794581.db2.gz QPUFQVLWSSCTMH-IACUBPJLSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260681 677794584 /nfs/dbraw/zinc/79/45/84/677794584.db2.gz QPUFQVLWSSCTMH-IACUBPJLSA-N 2 2 308.382 -1.011 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001077392560 677803030 /nfs/dbraw/zinc/80/30/30/677803030.db2.gz GMTSZDDDGFICOE-JHJVBQTASA-N 2 2 321.381 -1.416 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001077392560 677803033 /nfs/dbraw/zinc/80/30/33/677803033.db2.gz GMTSZDDDGFICOE-JHJVBQTASA-N 2 2 321.381 -1.416 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583758 677805182 /nfs/dbraw/zinc/80/51/82/677805182.db2.gz QPUFQVLWSSCTMH-BNOWGMLFSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583758 677805183 /nfs/dbraw/zinc/80/51/83/677805183.db2.gz QPUFQVLWSSCTMH-BNOWGMLFSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583759 677805630 /nfs/dbraw/zinc/80/56/30/677805630.db2.gz QPUFQVLWSSCTMH-YUTCNCBUSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583759 677805632 /nfs/dbraw/zinc/80/56/32/677805632.db2.gz QPUFQVLWSSCTMH-YUTCNCBUSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083583791 677805697 /nfs/dbraw/zinc/80/56/97/677805697.db2.gz RNPQNVNRTAMYIQ-XQQFMLRXSA-N 2 2 308.382 -1.011 20 0 DAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083583791 677805699 /nfs/dbraw/zinc/80/56/99/677805699.db2.gz RNPQNVNRTAMYIQ-XQQFMLRXSA-N 2 2 308.382 -1.011 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001083644914 677815952 /nfs/dbraw/zinc/81/59/52/677815952.db2.gz BWDYWPKNUXBESI-AGIUHOORSA-N 2 2 321.381 -1.369 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001083644914 677815956 /nfs/dbraw/zinc/81/59/56/677815956.db2.gz BWDYWPKNUXBESI-AGIUHOORSA-N 2 2 321.381 -1.369 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645318 677816093 /nfs/dbraw/zinc/81/60/93/677816093.db2.gz VQFCLINCVMGLLC-WOPDTQHZSA-N 2 2 309.370 -1.383 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645318 677816097 /nfs/dbraw/zinc/81/60/97/677816097.db2.gz VQFCLINCVMGLLC-WOPDTQHZSA-N 2 2 309.370 -1.383 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001083644930 677816159 /nfs/dbraw/zinc/81/61/59/677816159.db2.gz CMHSFXWZSVDQEC-XQQFMLRXSA-N 2 2 323.397 -1.170 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001083644930 677816161 /nfs/dbraw/zinc/81/61/61/677816161.db2.gz CMHSFXWZSVDQEC-XQQFMLRXSA-N 2 2 323.397 -1.170 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645317 677816172 /nfs/dbraw/zinc/81/61/72/677816172.db2.gz VQFCLINCVMGLLC-UTUOFQBUSA-N 2 2 309.370 -1.383 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645317 677816173 /nfs/dbraw/zinc/81/61/73/677816173.db2.gz VQFCLINCVMGLLC-UTUOFQBUSA-N 2 2 309.370 -1.383 20 0 DAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083723649 677848285 /nfs/dbraw/zinc/84/82/85/677848285.db2.gz TZXOWGAJIOXAJJ-FRRDWIJNSA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083723649 677848288 /nfs/dbraw/zinc/84/82/88/677848288.db2.gz TZXOWGAJIOXAJJ-FRRDWIJNSA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083723649 677848289 /nfs/dbraw/zinc/84/82/89/677848289.db2.gz TZXOWGAJIOXAJJ-FRRDWIJNSA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083723648 677848489 /nfs/dbraw/zinc/84/84/89/677848489.db2.gz TZXOWGAJIOXAJJ-AGIUHOORSA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083723648 677848493 /nfs/dbraw/zinc/84/84/93/677848493.db2.gz TZXOWGAJIOXAJJ-AGIUHOORSA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083723648 677848497 /nfs/dbraw/zinc/84/84/97/677848497.db2.gz TZXOWGAJIOXAJJ-AGIUHOORSA-N 2 2 301.387 -1.751 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083749600 677855527 /nfs/dbraw/zinc/85/55/27/677855527.db2.gz HZUAPJREXSDQJV-AGIUHOORSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001083749600 677855532 /nfs/dbraw/zinc/85/55/32/677855532.db2.gz HZUAPJREXSDQJV-AGIUHOORSA-N 2 2 310.398 -1.622 20 0 DAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083750399 677855601 /nfs/dbraw/zinc/85/56/01/677855601.db2.gz UYZZKFKLJILJRQ-RDBSUJKOSA-N 2 2 324.425 -1.280 20 0 DAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001083750399 677855604 /nfs/dbraw/zinc/85/56/04/677855604.db2.gz UYZZKFKLJILJRQ-RDBSUJKOSA-N 2 2 324.425 -1.280 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750017 677855820 /nfs/dbraw/zinc/85/58/20/677855820.db2.gz BTSBHHXWVJAZND-AGIUHOORSA-N 2 2 312.414 -1.247 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750017 677855822 /nfs/dbraw/zinc/85/58/22/677855822.db2.gz BTSBHHXWVJAZND-AGIUHOORSA-N 2 2 312.414 -1.247 20 0 DAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077566931 677859073 /nfs/dbraw/zinc/85/90/73/677859073.db2.gz TZXOWGAJIOXAJJ-UPJWGTAASA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077566931 677859078 /nfs/dbraw/zinc/85/90/78/677859078.db2.gz TZXOWGAJIOXAJJ-UPJWGTAASA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077566931 677859081 /nfs/dbraw/zinc/85/90/81/677859081.db2.gz TZXOWGAJIOXAJJ-UPJWGTAASA-N 2 2 301.387 -1.751 20 0 DAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077566931 677859086 /nfs/dbraw/zinc/85/90/86/677859086.db2.gz TZXOWGAJIOXAJJ-UPJWGTAASA-N 2 2 301.387 -1.751 20 0 DAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083779279 677862305 /nfs/dbraw/zinc/86/23/05/677862305.db2.gz UQEJBXZVAXQPLM-MJBXVCDLSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083779279 677862306 /nfs/dbraw/zinc/86/23/06/677862306.db2.gz UQEJBXZVAXQPLM-MJBXVCDLSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083779279 677862307 /nfs/dbraw/zinc/86/23/07/677862307.db2.gz UQEJBXZVAXQPLM-MJBXVCDLSA-N 2 2 322.413 -1.076 20 0 DAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083779279 677862309 /nfs/dbraw/zinc/86/23/09/677862309.db2.gz UQEJBXZVAXQPLM-MJBXVCDLSA-N 2 2 322.413 -1.076 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077618426 677869594 /nfs/dbraw/zinc/86/95/94/677869594.db2.gz HZUAPJREXSDQJV-JHJVBQTASA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077618426 677869597 /nfs/dbraw/zinc/86/95/97/677869597.db2.gz HZUAPJREXSDQJV-JHJVBQTASA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001077618944 677869929 /nfs/dbraw/zinc/86/99/29/677869929.db2.gz WIMDTQCXTYUJLW-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001077618944 677869932 /nfs/dbraw/zinc/86/99/32/677869932.db2.gz WIMDTQCXTYUJLW-HZSPNIEDSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001077613052 677869949 /nfs/dbraw/zinc/86/99/49/677869949.db2.gz WVHROUKMLVJFHF-ZIAGYGMSSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001077613052 677869955 /nfs/dbraw/zinc/86/99/55/677869955.db2.gz WVHROUKMLVJFHF-ZIAGYGMSSA-N 2 2 324.425 -1.278 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618555 677869984 /nfs/dbraw/zinc/86/99/84/677869984.db2.gz MFTCCOMYXRGMIE-CYZMBNFOSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618555 677869987 /nfs/dbraw/zinc/86/99/87/677869987.db2.gz MFTCCOMYXRGMIE-CYZMBNFOSA-N 2 2 312.414 -1.376 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077778652 677880611 /nfs/dbraw/zinc/88/06/11/677880611.db2.gz VIMVXZJLGKQKGG-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2O)CC1 ZINC001077778652 677880613 /nfs/dbraw/zinc/88/06/13/677880613.db2.gz VIMVXZJLGKQKGG-MGPQQGTHSA-N 2 2 324.425 -1.232 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006094 677904221 /nfs/dbraw/zinc/90/42/21/677904221.db2.gz RXVGYQBPNIPEMX-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006094 677904226 /nfs/dbraw/zinc/90/42/26/677904226.db2.gz RXVGYQBPNIPEMX-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006094 677904229 /nfs/dbraw/zinc/90/42/29/677904229.db2.gz RXVGYQBPNIPEMX-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006094 677904233 /nfs/dbraw/zinc/90/42/33/677904233.db2.gz RXVGYQBPNIPEMX-MGPQQGTHSA-N 2 2 324.425 -1.278 20 0 DAADLP O=C(N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012794 677904609 /nfs/dbraw/zinc/90/46/09/677904609.db2.gz AUPJJGVESVVUJD-IJLUTSLNSA-N 2 2 308.382 -1.868 20 0 DAADLP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012794 677904612 /nfs/dbraw/zinc/90/46/12/677904612.db2.gz AUPJJGVESVVUJD-IJLUTSLNSA-N 2 2 308.382 -1.868 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012291 677904654 /nfs/dbraw/zinc/90/46/54/677904654.db2.gz ZPNWYOKSCIJZCU-IJLUTSLNSA-N 2 2 310.398 -1.622 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012291 677904658 /nfs/dbraw/zinc/90/46/58/677904658.db2.gz ZPNWYOKSCIJZCU-IJLUTSLNSA-N 2 2 310.398 -1.622 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078180297 677915336 /nfs/dbraw/zinc/91/53/36/677915336.db2.gz WNOJPXXAUMXYTP-ZIAGYGMSSA-N 2 2 324.425 -1.134 20 0 DAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078180297 677915338 /nfs/dbraw/zinc/91/53/38/677915338.db2.gz WNOJPXXAUMXYTP-ZIAGYGMSSA-N 2 2 324.425 -1.134 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078205864 677920246 /nfs/dbraw/zinc/92/02/46/677920246.db2.gz GZVZRWKJAVSTNT-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078205864 677920249 /nfs/dbraw/zinc/92/02/49/677920249.db2.gz GZVZRWKJAVSTNT-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001078205864 677920250 /nfs/dbraw/zinc/92/02/50/677920250.db2.gz GZVZRWKJAVSTNT-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078205864 677920254 /nfs/dbraw/zinc/92/02/54/677920254.db2.gz GZVZRWKJAVSTNT-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078205863 677920318 /nfs/dbraw/zinc/92/03/18/677920318.db2.gz GZVZRWKJAVSTNT-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078205863 677920320 /nfs/dbraw/zinc/92/03/20/677920320.db2.gz GZVZRWKJAVSTNT-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001078205863 677920324 /nfs/dbraw/zinc/92/03/24/677920324.db2.gz GZVZRWKJAVSTNT-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078205863 677920325 /nfs/dbraw/zinc/92/03/25/677920325.db2.gz GZVZRWKJAVSTNT-JHJVBQTASA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001081579463 678085694 /nfs/dbraw/zinc/08/56/94/678085694.db2.gz BDPCHTZTZSVDFX-CHWSQXEVSA-N 2 2 323.397 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001081733880 678103133 /nfs/dbraw/zinc/10/31/33/678103133.db2.gz ZXVVWDTUVAEQQE-WCQYABFASA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001081736318 678103146 /nfs/dbraw/zinc/10/31/46/678103146.db2.gz VMVVSYQENGQBAS-QWHCGFSZSA-N 2 2 323.397 -1.230 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001081694786 678103334 /nfs/dbraw/zinc/10/33/34/678103334.db2.gz AZZUXDRKZUERIH-VXGBXAGGSA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001081694784 678103363 /nfs/dbraw/zinc/10/33/63/678103363.db2.gz AZZUXDRKZUERIH-NWDGAFQWSA-N 2 2 323.397 -1.161 20 0 DAADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395318 678117257 /nfs/dbraw/zinc/11/72/57/678117257.db2.gz PZBZHRMPZUAGOD-CHWSQXEVSA-N 2 2 319.369 -1.010 20 0 DAADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395318 678117259 /nfs/dbraw/zinc/11/72/59/678117259.db2.gz PZBZHRMPZUAGOD-CHWSQXEVSA-N 2 2 319.369 -1.010 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCNC2=O)C3)C1 ZINC001072577722 678158880 /nfs/dbraw/zinc/15/88/80/678158880.db2.gz AXELRASZJBICGY-QWHCGFSZSA-N 2 2 322.409 -1.260 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCNC2=O)C3)C1 ZINC001072577722 678158882 /nfs/dbraw/zinc/15/88/82/678158882.db2.gz AXELRASZJBICGY-QWHCGFSZSA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCNC2=O)C3)C1 ZINC001072577722 678158884 /nfs/dbraw/zinc/15/88/84/678158884.db2.gz AXELRASZJBICGY-QWHCGFSZSA-N 2 2 322.409 -1.260 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)C1 ZINC001072577722 678158886 /nfs/dbraw/zinc/15/88/86/678158886.db2.gz AXELRASZJBICGY-QWHCGFSZSA-N 2 2 322.409 -1.260 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580736 678159072 /nfs/dbraw/zinc/15/90/72/678159072.db2.gz ISIBUORHCLPAQE-QWHCGFSZSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580736 678159073 /nfs/dbraw/zinc/15/90/73/678159073.db2.gz ISIBUORHCLPAQE-QWHCGFSZSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580736 678159075 /nfs/dbraw/zinc/15/90/75/678159075.db2.gz ISIBUORHCLPAQE-QWHCGFSZSA-N 2 2 324.425 -1.014 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580736 678159077 /nfs/dbraw/zinc/15/90/77/678159077.db2.gz ISIBUORHCLPAQE-QWHCGFSZSA-N 2 2 324.425 -1.014 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC)C3)C1 ZINC001073447055 678171404 /nfs/dbraw/zinc/17/14/04/678171404.db2.gz CBWNOINMKKRUDO-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC)C3)C1 ZINC001073447055 678171407 /nfs/dbraw/zinc/17/14/07/678171407.db2.gz CBWNOINMKKRUDO-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC)C3)C1 ZINC001073447055 678171411 /nfs/dbraw/zinc/17/14/11/678171411.db2.gz CBWNOINMKKRUDO-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC)C3)C1 ZINC001073447055 678171415 /nfs/dbraw/zinc/17/14/15/678171415.db2.gz CBWNOINMKKRUDO-CYBMUJFWSA-N 2 2 324.425 -1.013 20 0 DAADLP NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861730 678182154 /nfs/dbraw/zinc/18/21/54/678182154.db2.gz HLEFJFHKDGUHNH-LBPRGKRZSA-N 2 2 310.398 -1.225 20 0 DAADLP NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861730 678182157 /nfs/dbraw/zinc/18/21/57/678182157.db2.gz HLEFJFHKDGUHNH-LBPRGKRZSA-N 2 2 310.398 -1.225 20 0 DAADLP CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886550 678182807 /nfs/dbraw/zinc/18/28/07/678182807.db2.gz RCWRWYWFMULOMG-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886550 678182808 /nfs/dbraw/zinc/18/28/08/678182808.db2.gz RCWRWYWFMULOMG-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073886550 678182810 /nfs/dbraw/zinc/18/28/10/678182810.db2.gz RCWRWYWFMULOMG-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073886550 678182811 /nfs/dbraw/zinc/18/28/11/678182811.db2.gz RCWRWYWFMULOMG-QWHCGFSZSA-N 2 2 312.414 -1.109 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040693961 678248723 /nfs/dbraw/zinc/24/87/23/678248723.db2.gz GNXLUPAMXJBGRV-OAHLLOKOSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040800591 678256960 /nfs/dbraw/zinc/25/69/60/678256960.db2.gz HQTOQWDOBPMMBD-OAHLLOKOSA-N 2 2 323.397 -1.017 20 0 DAADLP CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001043677408 678388995 /nfs/dbraw/zinc/38/89/95/678388995.db2.gz IUTQNXHZUFIUEE-LLVKDONJSA-N 2 2 323.397 -1.018 20 0 DAADLP CC[C@H](C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001043708423 678390181 /nfs/dbraw/zinc/39/01/81/678390181.db2.gz BHPLEKUGVVIVRO-GFCCVEGCSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043710683 678390759 /nfs/dbraw/zinc/39/07/59/678390759.db2.gz JHJFKCDPCDMQBL-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043710683 678390761 /nfs/dbraw/zinc/39/07/61/678390761.db2.gz JHJFKCDPCDMQBL-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043711850 678391595 /nfs/dbraw/zinc/39/15/95/678391595.db2.gz UHLWIOOHYQCQGW-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043711850 678391597 /nfs/dbraw/zinc/39/15/97/678391597.db2.gz UHLWIOOHYQCQGW-UHFFFAOYSA-N 2 2 323.397 -1.086 20 0 DAADLP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043718127 678391907 /nfs/dbraw/zinc/39/19/07/678391907.db2.gz VKMLOYDMEXMHFR-UHFFFAOYSA-N 2 2 323.397 -1.087 20 0 DAADLP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043718127 678391912 /nfs/dbraw/zinc/39/19/12/678391912.db2.gz VKMLOYDMEXMHFR-UHFFFAOYSA-N 2 2 323.397 -1.087 20 0 DAADLP CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001044041395 678410197 /nfs/dbraw/zinc/41/01/97/678410197.db2.gz IUTQNXHZUFIUEE-NSHDSACASA-N 2 2 323.397 -1.018 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044323805 678420168 /nfs/dbraw/zinc/42/01/68/678420168.db2.gz VAFQJXXAKTWZQS-UHFFFAOYSA-N 2 2 323.397 -1.098 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282294 678453711 /nfs/dbraw/zinc/45/37/11/678453711.db2.gz ZLZKBJPAYRYAMS-LLVKDONJSA-N 2 2 321.381 -1.407 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282294 678453714 /nfs/dbraw/zinc/45/37/14/678453714.db2.gz ZLZKBJPAYRYAMS-LLVKDONJSA-N 2 2 321.381 -1.407 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282295 678453917 /nfs/dbraw/zinc/45/39/17/678453917.db2.gz ZLZKBJPAYRYAMS-NSHDSACASA-N 2 2 321.381 -1.407 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001045282295 678453920 /nfs/dbraw/zinc/45/39/20/678453920.db2.gz ZLZKBJPAYRYAMS-NSHDSACASA-N 2 2 321.381 -1.407 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045282192 678454030 /nfs/dbraw/zinc/45/40/30/678454030.db2.gz WNWVLDZJTYLERG-UHFFFAOYSA-N 2 2 309.370 -1.407 20 0 DAADLP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001045720518 678469871 /nfs/dbraw/zinc/46/98/71/678469871.db2.gz TUSSBPWLEBFENR-UHFFFAOYSA-N 2 2 309.370 -1.476 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047176615 678501982 /nfs/dbraw/zinc/50/19/82/678501982.db2.gz FSBHCTWPMGJPND-UHFFFAOYSA-N 2 2 309.370 -1.407 20 0 DAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047324279 678507726 /nfs/dbraw/zinc/50/77/26/678507726.db2.gz MRNGTUMYYVSSKZ-IHRRRGAJSA-N 2 2 322.413 -1.124 20 0 DAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047324279 678507728 /nfs/dbraw/zinc/50/77/28/678507728.db2.gz MRNGTUMYYVSSKZ-IHRRRGAJSA-N 2 2 322.413 -1.124 20 0 DAADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047324279 678507729 /nfs/dbraw/zinc/50/77/29/678507729.db2.gz MRNGTUMYYVSSKZ-IHRRRGAJSA-N 2 2 322.413 -1.124 20 0 DAADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001047324279 678507731 /nfs/dbraw/zinc/50/77/31/678507731.db2.gz MRNGTUMYYVSSKZ-IHRRRGAJSA-N 2 2 322.413 -1.124 20 0 DAADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333658 678509305 /nfs/dbraw/zinc/50/93/05/678509305.db2.gz NRUYZDHOILFCQY-RWMBFGLXSA-N 2 2 301.387 -1.533 20 0 DAADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333658 678509308 /nfs/dbraw/zinc/50/93/08/678509308.db2.gz NRUYZDHOILFCQY-RWMBFGLXSA-N 2 2 301.387 -1.533 20 0 DAADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047333658 678509312 /nfs/dbraw/zinc/50/93/12/678509312.db2.gz NRUYZDHOILFCQY-RWMBFGLXSA-N 2 2 301.387 -1.533 20 0 DAADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047333658 678509314 /nfs/dbraw/zinc/50/93/14/678509314.db2.gz NRUYZDHOILFCQY-RWMBFGLXSA-N 2 2 301.387 -1.533 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511686 678527937 /nfs/dbraw/zinc/52/79/37/678527937.db2.gz OGXMKDXDJPOUIN-STQMWFEESA-N 2 2 312.414 -1.422 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511686 678527939 /nfs/dbraw/zinc/52/79/39/678527939.db2.gz OGXMKDXDJPOUIN-STQMWFEESA-N 2 2 312.414 -1.422 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598503 678534517 /nfs/dbraw/zinc/53/45/17/678534517.db2.gz LYBFDEOITUFRCD-AGIUHOORSA-N 2 2 324.425 -1.150 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598503 678534519 /nfs/dbraw/zinc/53/45/19/678534519.db2.gz LYBFDEOITUFRCD-AGIUHOORSA-N 2 2 324.425 -1.150 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598287 678534762 /nfs/dbraw/zinc/53/47/62/678534762.db2.gz DVSCRVQCABXEQC-AGIUHOORSA-N 2 2 324.425 -1.280 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598287 678534763 /nfs/dbraw/zinc/53/47/63/678534763.db2.gz DVSCRVQCABXEQC-AGIUHOORSA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047598300 678534924 /nfs/dbraw/zinc/53/49/24/678534924.db2.gz FEZAKXOUGMKASX-AVGNSLFASA-N 2 2 322.409 -1.526 20 0 DAADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001047598300 678534925 /nfs/dbraw/zinc/53/49/25/678534925.db2.gz FEZAKXOUGMKASX-AVGNSLFASA-N 2 2 322.409 -1.526 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740311 678558504 /nfs/dbraw/zinc/55/85/04/678558504.db2.gz YSNQEEIGJZNOCE-RVMXOQNASA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740311 678558508 /nfs/dbraw/zinc/55/85/08/678558508.db2.gz YSNQEEIGJZNOCE-RVMXOQNASA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740311 678558510 /nfs/dbraw/zinc/55/85/10/678558510.db2.gz YSNQEEIGJZNOCE-RVMXOQNASA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740311 678558512 /nfs/dbraw/zinc/55/85/12/678558512.db2.gz YSNQEEIGJZNOCE-RVMXOQNASA-N 2 2 310.398 -1.419 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739627 678558639 /nfs/dbraw/zinc/55/86/39/678558639.db2.gz MNBMJAIZMHKRJW-FQUUOJAGSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739627 678558643 /nfs/dbraw/zinc/55/86/43/678558643.db2.gz MNBMJAIZMHKRJW-FQUUOJAGSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739627 678558646 /nfs/dbraw/zinc/55/86/46/678558646.db2.gz MNBMJAIZMHKRJW-FQUUOJAGSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739627 678558652 /nfs/dbraw/zinc/55/86/52/678558652.db2.gz MNBMJAIZMHKRJW-FQUUOJAGSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739630 678559169 /nfs/dbraw/zinc/55/91/69/678559169.db2.gz MNBMJAIZMHKRJW-MQYQWHSLSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739630 678559172 /nfs/dbraw/zinc/55/91/72/678559172.db2.gz MNBMJAIZMHKRJW-MQYQWHSLSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739630 678559173 /nfs/dbraw/zinc/55/91/73/678559173.db2.gz MNBMJAIZMHKRJW-MQYQWHSLSA-N 2 2 324.425 -1.158 20 0 DAADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739630 678559176 /nfs/dbraw/zinc/55/91/76/678559176.db2.gz MNBMJAIZMHKRJW-MQYQWHSLSA-N 2 2 324.425 -1.158 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)O1 ZINC001048890662 678565731 /nfs/dbraw/zinc/56/57/31/678565731.db2.gz JZZNVRTYRMXNBG-FVCCEPFGSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)O1 ZINC001048890662 678565734 /nfs/dbraw/zinc/56/57/34/678565734.db2.gz JZZNVRTYRMXNBG-FVCCEPFGSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)O1 ZINC001048890662 678565736 /nfs/dbraw/zinc/56/57/36/678565736.db2.gz JZZNVRTYRMXNBG-FVCCEPFGSA-N 2 2 310.398 -1.419 20 0 DAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)O1 ZINC001048890662 678565739 /nfs/dbraw/zinc/56/57/39/678565739.db2.gz JZZNVRTYRMXNBG-FVCCEPFGSA-N 2 2 310.398 -1.419 20 0 DAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049035490 678572099 /nfs/dbraw/zinc/57/20/99/678572099.db2.gz VVAHCSIWZRIIIA-STQMWFEESA-N 2 2 323.397 -1.135 20 0 DAADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049317304 678580356 /nfs/dbraw/zinc/58/03/56/678580356.db2.gz ZBIQOTFTOLMPKP-RYUDHWBXSA-N 2 2 323.397 -1.066 20 0 DAADLP NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052990648 678592577 /nfs/dbraw/zinc/59/25/77/678592577.db2.gz JNICYRFGOOIVEF-BETUJISGSA-N 2 2 310.398 -1.396 20 0 DAADLP NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052990648 678592579 /nfs/dbraw/zinc/59/25/79/678592579.db2.gz JNICYRFGOOIVEF-BETUJISGSA-N 2 2 310.398 -1.396 20 0 DAADLP NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052987229 678592598 /nfs/dbraw/zinc/59/25/98/678592598.db2.gz HCCYQUWPHIMJEM-OKILXGFUSA-N 2 2 324.425 -1.006 20 0 DAADLP NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052987229 678592602 /nfs/dbraw/zinc/59/26/02/678592602.db2.gz HCCYQUWPHIMJEM-OKILXGFUSA-N 2 2 324.425 -1.006 20 0 DAADLP NC(=O)C(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055595721 678642111 /nfs/dbraw/zinc/64/21/11/678642111.db2.gz CPWMMXCBQROOEM-UHFFFAOYSA-N 2 2 322.369 -1.935 20 0 DAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051745899 678768241 /nfs/dbraw/zinc/76/82/41/678768241.db2.gz XFWJAZUMYVBYJC-STQMWFEESA-N 2 2 321.381 -1.021 20 0 DAADLP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051745896 678768354 /nfs/dbraw/zinc/76/83/54/678768354.db2.gz XFWJAZUMYVBYJC-CHWSQXEVSA-N 2 2 321.381 -1.021 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)C1=O ZINC001051848524 678775787 /nfs/dbraw/zinc/77/57/87/678775787.db2.gz UCURDGOLPOSBQW-STQMWFEESA-N 2 2 321.381 -1.000 20 0 DAADLP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)C1=O ZINC001051848522 678775807 /nfs/dbraw/zinc/77/58/07/678775807.db2.gz UCURDGOLPOSBQW-OLZOCXBDSA-N 2 2 321.381 -1.000 20 0 DAADLP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)C1=O ZINC001051848523 678776112 /nfs/dbraw/zinc/77/61/12/678776112.db2.gz UCURDGOLPOSBQW-QWHCGFSZSA-N 2 2 321.381 -1.000 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051884657 678778179 /nfs/dbraw/zinc/77/81/79/678778179.db2.gz RTKJNJGNZNMNSH-MNOVXSKESA-N 2 2 307.354 -1.342 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051916962 678779064 /nfs/dbraw/zinc/77/90/64/678779064.db2.gz QBYNWYUCKFFTBX-NWDGAFQWSA-N 2 2 321.381 -1.034 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)C1 ZINC001057996780 678801545 /nfs/dbraw/zinc/80/15/45/678801545.db2.gz XRQDRTMFHVFJES-ZDUSSCGKSA-N 2 2 323.397 -1.228 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)C1 ZINC001057996780 678801546 /nfs/dbraw/zinc/80/15/46/678801546.db2.gz XRQDRTMFHVFJES-ZDUSSCGKSA-N 2 2 323.397 -1.228 20 0 DAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742999 678859943 /nfs/dbraw/zinc/85/99/43/678859943.db2.gz SKENVBVSEAXIRW-UONOGXRCSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742999 678859946 /nfs/dbraw/zinc/85/99/46/678859946.db2.gz SKENVBVSEAXIRW-UONOGXRCSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742999 678859947 /nfs/dbraw/zinc/85/99/47/678859947.db2.gz SKENVBVSEAXIRW-UONOGXRCSA-N 3 2 316.446 -1.288 20 0 DAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000390742999 678859951 /nfs/dbraw/zinc/85/99/51/678859951.db2.gz SKENVBVSEAXIRW-UONOGXRCSA-N 3 2 316.446 -1.288 20 0 DAADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284488 678863701 /nfs/dbraw/zinc/86/37/01/678863701.db2.gz GIMNGZYPYNAJIW-RTXFEEFZSA-N 2 2 319.369 -1.034 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070303231 678864728 /nfs/dbraw/zinc/86/47/28/678864728.db2.gz RJVWINLMDLRWAF-MNOVXSKESA-N 2 2 305.342 -1.422 20 0 DAADLP CC[C@@H](C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1)[NH+](C)C ZINC001071000061 678881048 /nfs/dbraw/zinc/88/10/48/678881048.db2.gz MARFWCHLTMMRFH-ZDUSSCGKSA-N 2 2 314.430 -1.031 20 0 DAADLP CC[C@@H](C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1)[NH+](C)C ZINC001071000061 678881052 /nfs/dbraw/zinc/88/10/52/678881052.db2.gz MARFWCHLTMMRFH-ZDUSSCGKSA-N 2 2 314.430 -1.031 20 0 DAADLP O=C(C[NH+]1CCCC1)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001071020709 678881996 /nfs/dbraw/zinc/88/19/96/678881996.db2.gz QLTGQIRCOYXCPP-UHFFFAOYSA-N 2 2 312.414 -1.275 20 0 DAADLP O=C(C[NH+]1CCCC1)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001071020709 678881999 /nfs/dbraw/zinc/88/19/99/678881999.db2.gz QLTGQIRCOYXCPP-UHFFFAOYSA-N 2 2 312.414 -1.275 20 0 DAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201105099 782210701 /nfs/dbraw/zinc/21/07/01/782210701.db2.gz ZBWCRUQSNVZVRG-LBPRGKRZSA-N 2 2 309.370 -1.034 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201480956 782218251 /nfs/dbraw/zinc/21/82/51/782218251.db2.gz BURNSWQCAXEXDF-LBPRGKRZSA-N 2 2 309.370 -1.095 20 0 DAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201727146 782220871 /nfs/dbraw/zinc/22/08/71/782220871.db2.gz TZDSCBBXFQIHSK-LLVKDONJSA-N 2 2 309.370 -1.095 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857805 782222507 /nfs/dbraw/zinc/22/25/07/782222507.db2.gz YRZGMKNKPFCFRA-ZDUSSCGKSA-N 2 2 323.397 -1.084 20 0 DAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217241 782230844 /nfs/dbraw/zinc/23/08/44/782230844.db2.gz OFCFQPIREQTLSU-LBPRGKRZSA-N 2 2 309.370 -1.164 20 0 DAADLP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487726 782240144 /nfs/dbraw/zinc/24/01/44/782240144.db2.gz JMTRLVYXPXIQGC-UHFFFAOYSA-N 2 2 310.358 -1.175 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114405652 782245326 /nfs/dbraw/zinc/24/53/26/782245326.db2.gz XOYGGFUIJRJYSY-KZVDOYCCSA-N 2 2 320.397 -1.655 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114405652 782245334 /nfs/dbraw/zinc/24/53/34/782245334.db2.gz XOYGGFUIJRJYSY-KZVDOYCCSA-N 2 2 320.397 -1.655 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114562239 782362565 /nfs/dbraw/zinc/36/25/65/782362565.db2.gz CEGVMIXDADJTLX-IWIIMEHWSA-N 2 2 320.353 -1.567 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114562239 782362577 /nfs/dbraw/zinc/36/25/77/782362577.db2.gz CEGVMIXDADJTLX-IWIIMEHWSA-N 2 2 320.353 -1.567 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](C)C ZINC001114845929 782381270 /nfs/dbraw/zinc/38/12/70/782381270.db2.gz FGCKLFJCDRYMHI-SRRSOLGSSA-N 2 2 322.413 -1.005 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](C)C ZINC001114845929 782381278 /nfs/dbraw/zinc/38/12/78/782381278.db2.gz FGCKLFJCDRYMHI-SRRSOLGSSA-N 2 2 322.413 -1.005 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627550 782406689 /nfs/dbraw/zinc/40/66/89/782406689.db2.gz RHOXGHTYTVXFGQ-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627550 782406693 /nfs/dbraw/zinc/40/66/93/782406693.db2.gz RHOXGHTYTVXFGQ-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626376 782406736 /nfs/dbraw/zinc/40/67/36/782406736.db2.gz BINNAVYBCKKEMW-AGIUHOORSA-N 2 2 312.414 -1.150 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626376 782406742 /nfs/dbraw/zinc/40/67/42/782406742.db2.gz BINNAVYBCKKEMW-AGIUHOORSA-N 2 2 312.414 -1.150 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047626375 782406767 /nfs/dbraw/zinc/40/67/67/782406767.db2.gz BGCYBTQYPVIGLY-AVGNSLFASA-N 2 2 312.414 -1.470 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047626375 782406773 /nfs/dbraw/zinc/40/67/73/782406773.db2.gz BGCYBTQYPVIGLY-AVGNSLFASA-N 2 2 312.414 -1.470 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047626375 782406778 /nfs/dbraw/zinc/40/67/78/782406778.db2.gz BGCYBTQYPVIGLY-AVGNSLFASA-N 2 2 312.414 -1.470 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047626375 782406783 /nfs/dbraw/zinc/40/67/83/782406783.db2.gz BGCYBTQYPVIGLY-AVGNSLFASA-N 2 2 312.414 -1.470 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626791 782406813 /nfs/dbraw/zinc/40/68/13/782406813.db2.gz FLGCIPAFXKEEMF-UBHSHLNASA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626791 782406819 /nfs/dbraw/zinc/40/68/19/782406819.db2.gz FLGCIPAFXKEEMF-UBHSHLNASA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626791 782406825 /nfs/dbraw/zinc/40/68/25/782406825.db2.gz FLGCIPAFXKEEMF-UBHSHLNASA-N 2 2 324.425 -1.280 20 0 DAADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047626791 782406831 /nfs/dbraw/zinc/40/68/31/782406831.db2.gz FLGCIPAFXKEEMF-UBHSHLNASA-N 2 2 324.425 -1.280 20 0 DAADLP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488037 782442558 /nfs/dbraw/zinc/44/25/58/782442558.db2.gz BQWVUWYCPMYKSY-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488037 782442562 /nfs/dbraw/zinc/44/25/62/782442562.db2.gz BQWVUWYCPMYKSY-UHFFFAOYSA-N 2 2 323.397 -1.017 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099985518 782523120 /nfs/dbraw/zinc/52/31/20/782523120.db2.gz DGNKRWFFLCXOBM-STQMWFEESA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001099985518 782523127 /nfs/dbraw/zinc/52/31/27/782523127.db2.gz DGNKRWFFLCXOBM-STQMWFEESA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099985515 782523723 /nfs/dbraw/zinc/52/37/23/782523723.db2.gz DGNKRWFFLCXOBM-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001099985515 782523733 /nfs/dbraw/zinc/52/37/33/782523733.db2.gz DGNKRWFFLCXOBM-CHWSQXEVSA-N 2 2 312.414 -1.232 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985403 782524164 /nfs/dbraw/zinc/52/41/64/782524164.db2.gz CAHCUMJZTRFZPX-CHWSQXEVSA-N 2 2 310.402 -1.182 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985403 782524157 /nfs/dbraw/zinc/52/41/57/782524157.db2.gz CAHCUMJZTRFZPX-CHWSQXEVSA-N 2 2 310.402 -1.182 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125221 782557219 /nfs/dbraw/zinc/55/72/19/782557219.db2.gz UVGDYDJSAIWPCF-OLZOCXBDSA-N 2 2 312.414 -1.101 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125221 782557232 /nfs/dbraw/zinc/55/72/32/782557232.db2.gz UVGDYDJSAIWPCF-OLZOCXBDSA-N 2 2 312.414 -1.101 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131984 782559599 /nfs/dbraw/zinc/55/95/99/782559599.db2.gz LQXGCSKHWCXDCW-NWDGAFQWSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131984 782559605 /nfs/dbraw/zinc/55/96/05/782559605.db2.gz LQXGCSKHWCXDCW-NWDGAFQWSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131984 782559613 /nfs/dbraw/zinc/55/96/13/782559613.db2.gz LQXGCSKHWCXDCW-NWDGAFQWSA-N 2 2 300.403 -1.376 20 0 DAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131984 782559621 /nfs/dbraw/zinc/55/96/21/782559621.db2.gz LQXGCSKHWCXDCW-NWDGAFQWSA-N 2 2 300.403 -1.376 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100790094 782585223 /nfs/dbraw/zinc/58/52/23/782585223.db2.gz ODBFJUFNARCNSY-UHFFFAOYSA-N 2 2 308.342 -1.369 20 0 DAADLP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069625 782589807 /nfs/dbraw/zinc/58/98/07/782589807.db2.gz RQNDDLZJJGOANH-UHFFFAOYSA-N 2 2 308.342 -1.438 20 0 DAADLP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)Cn3cc[nH+]c3)C2)nc1=O ZINC001101069991 782590703 /nfs/dbraw/zinc/59/07/03/782590703.db2.gz BJVUCGJMHKEKLC-UHFFFAOYSA-N 2 2 319.369 -1.011 20 0 DAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114974730 782637474 /nfs/dbraw/zinc/63/74/74/782637474.db2.gz HVMQOANCWDAFQO-JYAVWHMHSA-N 2 2 310.398 -1.499 20 0 DAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114974730 782637478 /nfs/dbraw/zinc/63/74/78/782637478.db2.gz HVMQOANCWDAFQO-JYAVWHMHSA-N 2 2 310.398 -1.499 20 0 DAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980415 782637371 /nfs/dbraw/zinc/63/73/71/782637371.db2.gz QVFUYWSJTWGDHI-CXTNEJHOSA-N 2 2 324.425 -1.110 20 0 DAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980415 782637372 /nfs/dbraw/zinc/63/73/72/782637372.db2.gz QVFUYWSJTWGDHI-CXTNEJHOSA-N 2 2 324.425 -1.110 20 0 DAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118865803 782736076 /nfs/dbraw/zinc/73/60/76/782736076.db2.gz SJIFLYKMNJVQDI-VXGBXAGGSA-N 2 2 313.402 -2.547 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001266988308 775193368 /nfs/dbraw/zinc/19/33/68/775193368.db2.gz HGNOXFFSIYTPNP-UHFFFAOYSA-N 2 2 324.385 -1.144 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267017079 775196787 /nfs/dbraw/zinc/19/67/87/775196787.db2.gz FIEJRZCRKJCVNO-UHFFFAOYSA-N 2 2 322.369 -1.140 20 0 DAADLP NC(=O)C[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098582505 775234327 /nfs/dbraw/zinc/23/43/27/775234327.db2.gz SWVCEUGKSAIBEF-UHFFFAOYSA-N 2 2 309.370 -1.346 20 0 DAADLP NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098582505 775234335 /nfs/dbraw/zinc/23/43/35/775234335.db2.gz SWVCEUGKSAIBEF-UHFFFAOYSA-N 2 2 309.370 -1.346 20 0 DAADLP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)CCc1[nH+]ccn1C ZINC001267406901 775237542 /nfs/dbraw/zinc/23/75/42/775237542.db2.gz GPPSGUFVZWKZBN-UHFFFAOYSA-N 2 2 310.358 -1.404 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135352 775258281 /nfs/dbraw/zinc/25/82/81/775258281.db2.gz XBFQEENSENPHJO-VIFPVBQESA-N 2 2 310.358 -1.189 20 0 DAADLP COCCOC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267669343 775264994 /nfs/dbraw/zinc/26/49/94/775264994.db2.gz HHJUSYXOUYSTLZ-TZMCWYRMSA-N 2 2 315.414 -1.238 20 0 DAADLP COCCOC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267669343 775264999 /nfs/dbraw/zinc/26/49/99/775264999.db2.gz HHJUSYXOUYSTLZ-TZMCWYRMSA-N 2 2 315.414 -1.238 20 0 DAADLP COCCOC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267669342 775266005 /nfs/dbraw/zinc/26/60/05/775266005.db2.gz HHJUSYXOUYSTLZ-OCCSQVGLSA-N 2 2 315.414 -1.238 20 0 DAADLP COCCOC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267669342 775266008 /nfs/dbraw/zinc/26/60/08/775266008.db2.gz HHJUSYXOUYSTLZ-OCCSQVGLSA-N 2 2 315.414 -1.238 20 0 DAADLP CC[C@H](C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001105268128 775300614 /nfs/dbraw/zinc/30/06/14/775300614.db2.gz ALPDLMMZADKJDJ-GFCCVEGCSA-N 2 2 323.401 -1.424 20 0 DAADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105320841 775306261 /nfs/dbraw/zinc/30/62/61/775306261.db2.gz MBELFQQKTBEXRV-UHFFFAOYSA-N 2 2 309.374 -1.812 20 0 DAADLP CC[C@@H](C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1)[NH+](C)C ZINC001105328358 775310022 /nfs/dbraw/zinc/31/00/22/775310022.db2.gz ALPDLMMZADKJDJ-LBPRGKRZSA-N 2 2 323.401 -1.424 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCOCCO)CCO1 ZINC001268019016 775316273 /nfs/dbraw/zinc/31/62/73/775316273.db2.gz OKAKANUWUORUOY-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCOCCO)CCO1 ZINC001268019016 775316283 /nfs/dbraw/zinc/31/62/83/775316283.db2.gz OKAKANUWUORUOY-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCOCCO)CCO1 ZINC001268019016 775316293 /nfs/dbraw/zinc/31/62/93/775316293.db2.gz OKAKANUWUORUOY-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCOCCO)CCO1 ZINC001268019016 775316303 /nfs/dbraw/zinc/31/63/03/775316303.db2.gz OKAKANUWUORUOY-UONOGXRCSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCO1 ZINC001268019015 775316687 /nfs/dbraw/zinc/31/66/87/775316687.db2.gz OKAKANUWUORUOY-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCO1 ZINC001268019015 775316701 /nfs/dbraw/zinc/31/67/01/775316701.db2.gz OKAKANUWUORUOY-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCO1 ZINC001268019015 775316713 /nfs/dbraw/zinc/31/67/13/775316713.db2.gz OKAKANUWUORUOY-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCO1 ZINC001268019015 775316721 /nfs/dbraw/zinc/31/67/21/775316721.db2.gz OKAKANUWUORUOY-KGLIPLIRSA-N 2 2 315.414 -1.094 20 0 DAADLP COCCOC[N@@H+]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001268997250 775433863 /nfs/dbraw/zinc/43/38/63/775433863.db2.gz XTMWAYNVYLMPMB-UHFFFAOYSA-N 2 2 313.402 -1.034 20 0 DAADLP COCCOC[N@H+]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001268997250 775433867 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CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087919984 775547444 /nfs/dbraw/zinc/54/74/44/775547444.db2.gz AANUBYMQYDXVBK-RDBSUJKOSA-N 2 2 324.425 -1.157 20 0 DAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CCCOC)C2)C1 ZINC001271393097 775574449 /nfs/dbraw/zinc/57/44/49/775574449.db2.gz JZPSTYNTMCJEDS-ZDUSSCGKSA-N 2 2 315.414 -1.094 20 0 DAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CCCOC)C2)C1 ZINC001271393097 775574458 /nfs/dbraw/zinc/57/44/58/775574458.db2.gz JZPSTYNTMCJEDS-ZDUSSCGKSA-N 2 2 315.414 -1.094 20 0 DAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212026162 775632197 /nfs/dbraw/zinc/63/21/97/775632197.db2.gz DDDXZOUBYFOMRK-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212026162 775632205 /nfs/dbraw/zinc/63/22/05/775632205.db2.gz DDDXZOUBYFOMRK-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001212026162 775632214 /nfs/dbraw/zinc/63/22/14/775632214.db2.gz DDDXZOUBYFOMRK-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001212026162 775632221 /nfs/dbraw/zinc/63/22/21/775632221.db2.gz DDDXZOUBYFOMRK-HZSPNIEDSA-N 2 2 315.414 -1.095 20 0 DAADLP Cn1nncc1C[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001272321314 775749392 /nfs/dbraw/zinc/74/93/92/775749392.db2.gz CGUWZFNAADCFPX-UHFFFAOYSA-N 2 2 307.358 -1.378 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001272559451 775776028 /nfs/dbraw/zinc/77/60/28/775776028.db2.gz IOMNJUSOYBLHOM-LBPRGKRZSA-N 2 2 307.358 -1.679 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001272591352 775785917 /nfs/dbraw/zinc/78/59/17/775785917.db2.gz GUNCBTKDBYXZLO-UWVGGRQHSA-N 2 2 309.326 -2.245 20 0 DAADLP Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001272592585 775787937 /nfs/dbraw/zinc/78/79/37/775787937.db2.gz OOWFGWZHDWITAQ-ZDUSSCGKSA-N 2 2 306.370 -1.074 20 0 DAADLP Cc1[nH+]ccn1CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107236337 775858458 /nfs/dbraw/zinc/85/84/58/775858458.db2.gz VWXVSUAXXYNUTF-UHFFFAOYSA-N 2 2 319.369 -1.052 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1=O ZINC001127780077 775863408 /nfs/dbraw/zinc/86/34/08/775863408.db2.gz VROLGGVSWSIDJB-MNOVXSKESA-N 2 2 324.385 -1.823 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1=O ZINC001127780077 775863415 /nfs/dbraw/zinc/86/34/15/775863415.db2.gz VROLGGVSWSIDJB-MNOVXSKESA-N 2 2 324.385 -1.823 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001107840022 775879673 /nfs/dbraw/zinc/87/96/73/775879673.db2.gz ZVXNDSNJKYOCFJ-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCCO)CCO2)C1 ZINC001107840022 775879678 /nfs/dbraw/zinc/87/96/78/775879678.db2.gz ZVXNDSNJKYOCFJ-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001107840022 775879688 /nfs/dbraw/zinc/87/96/88/775879688.db2.gz ZVXNDSNJKYOCFJ-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001107840022 775879694 /nfs/dbraw/zinc/87/96/94/775879694.db2.gz ZVXNDSNJKYOCFJ-HIFRSBDPSA-N 2 2 315.414 -1.094 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967152 776039211 /nfs/dbraw/zinc/03/92/11/776039211.db2.gz DARCQOXIGWKMTM-UHFFFAOYSA-N 2 2 303.388 -1.403 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967152 776039222 /nfs/dbraw/zinc/03/92/22/776039222.db2.gz DARCQOXIGWKMTM-UHFFFAOYSA-N 2 2 303.388 -1.403 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972676 776041126 /nfs/dbraw/zinc/04/11/26/776041126.db2.gz HFXFRGJKVJWMOH-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972676 776041137 /nfs/dbraw/zinc/04/11/37/776041137.db2.gz HFXFRGJKVJWMOH-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001081733513 776118792 /nfs/dbraw/zinc/11/87/92/776118792.db2.gz UZRMYKNGJUALCX-NEPJUHHUSA-N 2 2 323.397 -1.161 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)no1 ZINC001090380425 776130354 /nfs/dbraw/zinc/13/03/54/776130354.db2.gz DIPAYHCIXCRTIQ-DGCLKSJQSA-N 2 2 312.370 -1.107 20 0 DAADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)no1 ZINC001090380425 776130358 /nfs/dbraw/zinc/13/03/58/776130358.db2.gz DIPAYHCIXCRTIQ-DGCLKSJQSA-N 2 2 312.370 -1.107 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393884 776134943 /nfs/dbraw/zinc/13/49/43/776134943.db2.gz QHURKTSHSDZWKL-STQMWFEESA-N 2 2 324.425 -1.088 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393884 776134949 /nfs/dbraw/zinc/13/49/49/776134949.db2.gz QHURKTSHSDZWKL-STQMWFEESA-N 2 2 324.425 -1.088 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090397512 776139846 /nfs/dbraw/zinc/13/98/46/776139846.db2.gz BCPXFBDWPXHLBR-CHWSQXEVSA-N 2 2 317.349 -1.015 20 0 DAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090397512 776139850 /nfs/dbraw/zinc/13/98/50/776139850.db2.gz BCPXFBDWPXHLBR-CHWSQXEVSA-N 2 2 317.349 -1.015 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953424 776141031 /nfs/dbraw/zinc/14/10/31/776141031.db2.gz SCZRJYSAXRBRKY-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953424 776141039 /nfs/dbraw/zinc/14/10/39/776141039.db2.gz SCZRJYSAXRBRKY-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953424 776141045 /nfs/dbraw/zinc/14/10/45/776141045.db2.gz SCZRJYSAXRBRKY-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953424 776141050 /nfs/dbraw/zinc/14/10/50/776141050.db2.gz SCZRJYSAXRBRKY-UPJWGTAASA-N 2 2 312.414 -1.422 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959554 776146550 /nfs/dbraw/zinc/14/65/50/776146550.db2.gz YPMJHXRPGQVUEF-UPJWGTAASA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959554 776146556 /nfs/dbraw/zinc/14/65/56/776146556.db2.gz YPMJHXRPGQVUEF-UPJWGTAASA-N 2 2 324.425 -1.280 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2O)C1 ZINC001084078059 776157404 /nfs/dbraw/zinc/15/74/04/776157404.db2.gz LRAOLIMUHRNOGL-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC)C[C@@H]2O)C1 ZINC001084078059 776157411 /nfs/dbraw/zinc/15/74/11/776157411.db2.gz LRAOLIMUHRNOGL-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)C1 ZINC001084078059 776157416 /nfs/dbraw/zinc/15/74/16/776157416.db2.gz LRAOLIMUHRNOGL-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)C1 ZINC001084078059 776157422 /nfs/dbraw/zinc/15/74/22/776157422.db2.gz LRAOLIMUHRNOGL-FRRDWIJNSA-N 2 2 301.387 -1.485 20 0 DAADLP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001084057505 776161597 /nfs/dbraw/zinc/16/15/97/776161597.db2.gz NKZXFSFPMIPFMN-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001084057505 776161601 /nfs/dbraw/zinc/16/16/01/776161601.db2.gz NKZXFSFPMIPFMN-RDBSUJKOSA-N 2 2 324.425 -1.136 20 0 DAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060372 776163523 /nfs/dbraw/zinc/16/35/23/776163523.db2.gz VOGXMQZTIYRSEU-WOPDTQHZSA-N 2 2 309.370 -1.383 20 0 DAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060372 776163527 /nfs/dbraw/zinc/16/35/27/776163527.db2.gz VOGXMQZTIYRSEU-WOPDTQHZSA-N 2 2 309.370 -1.383 20 0 DAADLP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273311650 776204541 /nfs/dbraw/zinc/20/45/41/776204541.db2.gz ITNHUTUCWQZYJJ-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273311650 776204545 /nfs/dbraw/zinc/20/45/45/776204545.db2.gz ITNHUTUCWQZYJJ-LBPRGKRZSA-N 2 2 300.403 -1.157 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969125 776207224 /nfs/dbraw/zinc/20/72/24/776207224.db2.gz GOUMIJSKHOMCJG-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969125 776207227 /nfs/dbraw/zinc/20/72/27/776207227.db2.gz GOUMIJSKHOMCJG-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969128 776208125 /nfs/dbraw/zinc/20/81/25/776208125.db2.gz GOUMIJSKHOMCJG-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969128 776208129 /nfs/dbraw/zinc/20/81/29/776208129.db2.gz GOUMIJSKHOMCJG-VXGBXAGGSA-N 2 2 300.403 -1.374 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099985464 776215655 /nfs/dbraw/zinc/21/56/55/776215655.db2.gz COCZXGCJFISSPJ-UWVGGRQHSA-N 2 2 315.374 -2.316 20 0 DAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099985464 776215662 /nfs/dbraw/zinc/21/56/62/776215662.db2.gz COCZXGCJFISSPJ-UWVGGRQHSA-N 2 2 315.374 -2.316 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100080198 776260126 /nfs/dbraw/zinc/26/01/26/776260126.db2.gz FUBQBJWNMMMEAT-RYUDHWBXSA-N 2 2 300.403 -1.245 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100080198 776260129 /nfs/dbraw/zinc/26/01/29/776260129.db2.gz FUBQBJWNMMMEAT-RYUDHWBXSA-N 2 2 300.403 -1.245 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100080197 776260232 /nfs/dbraw/zinc/26/02/32/776260232.db2.gz FUBQBJWNMMMEAT-NWDGAFQWSA-N 2 2 300.403 -1.245 20 0 DAADLP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100080197 776260238 /nfs/dbraw/zinc/26/02/38/776260238.db2.gz FUBQBJWNMMMEAT-NWDGAFQWSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100083323 776262063 /nfs/dbraw/zinc/26/20/63/776262063.db2.gz QFTNYSYVGGDWJI-VXGBXAGGSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100083323 776262067 /nfs/dbraw/zinc/26/20/67/776262067.db2.gz QFTNYSYVGGDWJI-VXGBXAGGSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100083323 776262069 /nfs/dbraw/zinc/26/20/69/776262069.db2.gz QFTNYSYVGGDWJI-VXGBXAGGSA-N 2 2 300.403 -1.245 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100083323 776262075 /nfs/dbraw/zinc/26/20/75/776262075.db2.gz QFTNYSYVGGDWJI-VXGBXAGGSA-N 2 2 300.403 -1.245 20 0 DAADLP C[NH+]1CCN(C(=O)c2ccnc(-n3nnnc3C[NH3+])c2)CC1 ZINC001168917379 776281958 /nfs/dbraw/zinc/28/19/58/776281958.db2.gz HBAOGOGJRUAPJB-UHFFFAOYSA-N 2 2 302.342 -1.096 20 0 DAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001169100683 776285156 /nfs/dbraw/zinc/28/51/56/776285156.db2.gz LHTURAVYAUMKGK-DKGRRDFJSA-N 2 2 302.371 -1.999 20 0 DAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001169100683 776285160 /nfs/dbraw/zinc/28/51/60/776285160.db2.gz LHTURAVYAUMKGK-DKGRRDFJSA-N 2 2 302.371 -1.999 20 0 DAADLP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212784 776286369 /nfs/dbraw/zinc/28/63/69/776286369.db2.gz WWNDJTURXWYUEE-UHFFFAOYSA-N 2 2 317.415 -1.013 20 0 DAADLP CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212230 776286448 /nfs/dbraw/zinc/28/64/48/776286448.db2.gz RVRIVLSAOLOOAB-UHFFFAOYSA-N 2 2 303.388 -1.403 20 0 DAADLP COCC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568321 776305616 /nfs/dbraw/zinc/30/56/16/776305616.db2.gz QFUPNBUTCLAFOX-LBPRGKRZSA-N 2 2 312.414 -1.014 20 0 DAADLP COCC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108568320 776306133 /nfs/dbraw/zinc/30/61/33/776306133.db2.gz QFUPNBUTCLAFOX-GFCCVEGCSA-N 2 2 312.414 -1.014 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108580268 776308580 /nfs/dbraw/zinc/30/85/80/776308580.db2.gz FCTFQTQAJSFUHW-LBPRGKRZSA-N 2 2 312.414 -1.278 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090434119 776346369 /nfs/dbraw/zinc/34/63/69/776346369.db2.gz VIRVDQRQLGTNTA-NWDGAFQWSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090434119 776346377 /nfs/dbraw/zinc/34/63/77/776346377.db2.gz VIRVDQRQLGTNTA-NWDGAFQWSA-N 2 2 309.370 -1.511 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090431784 776346927 /nfs/dbraw/zinc/34/69/27/776346927.db2.gz CUIJRIXKJXQLPS-OLZOCXBDSA-N 2 2 323.397 -1.169 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090431784 776346933 /nfs/dbraw/zinc/34/69/33/776346933.db2.gz CUIJRIXKJXQLPS-OLZOCXBDSA-N 2 2 323.397 -1.169 20 0 DAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435968 776349132 /nfs/dbraw/zinc/34/91/32/776349132.db2.gz LRHVIDZVGXKISG-QWHCGFSZSA-N 2 2 317.349 -1.015 20 0 DAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435968 776349138 /nfs/dbraw/zinc/34/91/38/776349138.db2.gz LRHVIDZVGXKISG-QWHCGFSZSA-N 2 2 317.349 -1.015 20 0 DAADLP C[NH+](C)CCC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001113301367 776401646 /nfs/dbraw/zinc/40/16/46/776401646.db2.gz NRONJOXMOCKHMW-UHFFFAOYSA-N 2 2 311.386 -1.366 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093804 776449600 /nfs/dbraw/zinc/44/96/00/776449600.db2.gz VTSGORFUNYRJDH-SFDCQRBFSA-N 2 2 324.425 -1.158 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093804 776449604 /nfs/dbraw/zinc/44/96/04/776449604.db2.gz VTSGORFUNYRJDH-SFDCQRBFSA-N 2 2 324.425 -1.158 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114093804 776449611 /nfs/dbraw/zinc/44/96/11/776449611.db2.gz VTSGORFUNYRJDH-SFDCQRBFSA-N 2 2 324.425 -1.158 20 0 DAADLP CCN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114093804 776449614 /nfs/dbraw/zinc/44/96/14/776449614.db2.gz VTSGORFUNYRJDH-SFDCQRBFSA-N 2 2 324.425 -1.158 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001110101251 776455423 /nfs/dbraw/zinc/45/54/23/776455423.db2.gz GRFXFLDEIFIEBN-USZNOCQGSA-N 2 2 323.397 -1.146 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001110101251 776455429 /nfs/dbraw/zinc/45/54/29/776455429.db2.gz GRFXFLDEIFIEBN-USZNOCQGSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001110101251 776455437 /nfs/dbraw/zinc/45/54/37/776455437.db2.gz GRFXFLDEIFIEBN-USZNOCQGSA-N 2 2 323.397 -1.146 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001110101251 776455446 /nfs/dbraw/zinc/45/54/46/776455446.db2.gz GRFXFLDEIFIEBN-USZNOCQGSA-N 2 2 323.397 -1.146 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129897447 776485776 /nfs/dbraw/zinc/48/57/76/776485776.db2.gz FLYRYUQKOIEKEC-RKDXNWHRSA-N 2 2 308.342 -1.325 20 0 DAADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130024576 776491033 /nfs/dbraw/zinc/49/10/33/776491033.db2.gz XDLGYLRLWHQQJN-OLZOCXBDSA-N 2 2 319.369 -1.032 20 0 DAADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130057369 776492585 /nfs/dbraw/zinc/49/25/85/776492585.db2.gz XWKIBRJWFHNVTM-NEPJUHHUSA-N 2 2 319.369 -1.032 20 0 DAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001130187521 776496765 /nfs/dbraw/zinc/49/67/65/776496765.db2.gz XBBHLKMUQACDQM-NXEZZACHSA-N 2 2 312.374 -1.967 20 0 DAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001130187521 776496780 /nfs/dbraw/zinc/49/67/80/776496780.db2.gz XBBHLKMUQACDQM-NXEZZACHSA-N 2 2 312.374 -1.967 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404639 776508878 /nfs/dbraw/zinc/50/88/78/776508878.db2.gz LXQOJBDVGPVIBQ-SNVBAGLBSA-N 2 2 322.369 -1.393 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481222 776512619 /nfs/dbraw/zinc/51/26/19/776512619.db2.gz NGXJYDOOBQJMSI-GHMZBOCLSA-N 2 2 319.365 -1.044 20 0 DAADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C2 ZINC001130491743 776512907 /nfs/dbraw/zinc/51/29/07/776512907.db2.gz ZVVWZFGGBDSCEU-VIFPVBQESA-N 2 2 322.369 -1.276 20 0 DAADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC2 ZINC001130491743 776512913 /nfs/dbraw/zinc/51/29/13/776512913.db2.gz ZVVWZFGGBDSCEU-VIFPVBQESA-N 2 2 322.369 -1.276 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481136 776513020 /nfs/dbraw/zinc/51/30/20/776513020.db2.gz LEJABYNBILCEBK-JTQLQIEISA-N 2 2 322.369 -1.393 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)NC(N)=O ZINC001130480687 776513035 /nfs/dbraw/zinc/51/30/35/776513035.db2.gz AEPPUEAPWUEQKY-ZJUUUORDSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)NC(N)=O ZINC001130484208 776513088 /nfs/dbraw/zinc/51/30/88/776513088.db2.gz HODZUTVPRKJNMN-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)NC(N)=O ZINC001130480685 776513176 /nfs/dbraw/zinc/51/31/76/776513176.db2.gz AEPPUEAPWUEQKY-UWVGGRQHSA-N 2 2 322.369 -1.265 20 0 DAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC(N)=O ZINC001130480684 776513215 /nfs/dbraw/zinc/51/32/15/776513215.db2.gz AEPPUEAPWUEQKY-NXEZZACHSA-N 2 2 322.369 -1.265 20 0 DAADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C2 ZINC001130491742 776513333 /nfs/dbraw/zinc/51/33/33/776513333.db2.gz ZVVWZFGGBDSCEU-SECBINFHSA-N 2 2 322.369 -1.276 20 0 DAADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC2 ZINC001130491742 776513337 /nfs/dbraw/zinc/51/33/37/776513337.db2.gz ZVVWZFGGBDSCEU-SECBINFHSA-N 2 2 322.369 -1.276 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488580 776514559 /nfs/dbraw/zinc/51/45/59/776514559.db2.gz RTTMZMIBBUDGNS-SNVBAGLBSA-N 2 2 322.369 -1.393 20 0 DAADLP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488681 776515238 /nfs/dbraw/zinc/51/52/38/776515238.db2.gz UPAQIUSWUSXFLS-CMPLNLGQSA-N 2 2 319.365 -1.044 20 0 DAADLP CC(C)(C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O)[NH+]1CCCC1 ZINC001090489498 776525775 /nfs/dbraw/zinc/52/57/75/776525775.db2.gz MYJTVDBYBVJSHV-NWDGAFQWSA-N 2 2 312.414 -1.103 20 0 DAADLP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O)[NH+]1CCCC1 ZINC001090489498 776525783 /nfs/dbraw/zinc/52/57/83/776525783.db2.gz MYJTVDBYBVJSHV-NWDGAFQWSA-N 2 2 312.414 -1.103 20 0 DAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)nc1=O ZINC001130805721 776534927 /nfs/dbraw/zinc/53/49/27/776534927.db2.gz JVXDUGDYXUWNMB-UHFFFAOYSA-N 2 2 308.386 -1.057 20 0 DAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520219 776575036 /nfs/dbraw/zinc/57/50/36/776575036.db2.gz VAMZBMYRSOLFDM-IQLKVPPVSA-N 2 2 321.385 -1.721 20 0 DAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520219 776575041 /nfs/dbraw/zinc/57/50/41/776575041.db2.gz VAMZBMYRSOLFDM-IQLKVPPVSA-N 2 2 321.385 -1.721 20 0 DAADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614091 776575946 /nfs/dbraw/zinc/57/59/46/776575946.db2.gz YDVSNUJBOKPVIF-MCIONIFRSA-N 2 2 315.414 -1.047 20 0 DAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001131656662 776580236 /nfs/dbraw/zinc/58/02/36/776580236.db2.gz SYKSCQMCUGSPQM-UHFFFAOYSA-N 2 2 322.369 -1.390 20 0 DAADLP CNC(=O)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133252297 776663787 /nfs/dbraw/zinc/66/37/87/776663787.db2.gz RQSRBBJIXZCIRS-NSHDSACASA-N 2 2 310.358 -2.091 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001133254479 776664059 /nfs/dbraw/zinc/66/40/59/776664059.db2.gz BYXUQMUEQBDCOK-RYUDHWBXSA-N 2 2 322.369 -1.949 20 0 DAADLP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001134396620 776702958 /nfs/dbraw/zinc/70/29/58/776702958.db2.gz BDGBIAKJBQJLAJ-NSHDSACASA-N 2 2 309.370 -1.095 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC[C@@H]1CCOC1 ZINC001134396721 776703120 /nfs/dbraw/zinc/70/31/20/776703120.db2.gz DQUNQFRDEBCCRJ-NSHDSACASA-N 2 2 309.370 -1.189 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135071552 776734505 /nfs/dbraw/zinc/73/45/05/776734505.db2.gz HMJLYGSBOFIUBW-IUCAKERBSA-N 2 2 310.358 -1.123 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135071552 776734516 /nfs/dbraw/zinc/73/45/16/776734516.db2.gz HMJLYGSBOFIUBW-IUCAKERBSA-N 2 2 310.358 -1.123 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080653 776735872 /nfs/dbraw/zinc/73/58/72/776735872.db2.gz ZDNMJJSZHARZJH-VIFPVBQESA-N 2 2 310.358 -1.250 20 0 DAADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC[C@H]1CCCO1 ZINC001135754607 776768710 /nfs/dbraw/zinc/76/87/10/776768710.db2.gz DYPGKDCLCMDCLY-LLVKDONJSA-N 2 2 309.370 -1.047 20 0 DAADLP COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757696 776769507 /nfs/dbraw/zinc/76/95/07/776769507.db2.gz MFDIZQZGLOOXAB-LLVKDONJSA-N 2 2 300.359 -1.318 20 0 DAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808390 776853148 /nfs/dbraw/zinc/85/31/48/776853148.db2.gz KAIAQBQWWOCYGG-NWDGAFQWSA-N 2 2 309.370 -1.511 20 0 DAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808390 776853153 /nfs/dbraw/zinc/85/31/53/776853153.db2.gz KAIAQBQWWOCYGG-NWDGAFQWSA-N 2 2 309.370 -1.511 20 0 DAADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811591 776853252 /nfs/dbraw/zinc/85/32/52/776853252.db2.gz CLEQVGMZVWTNFL-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811591 776853260 /nfs/dbraw/zinc/85/32/60/776853260.db2.gz CLEQVGMZVWTNFL-CHWSQXEVSA-N 2 2 312.414 -1.278 20 0 DAADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818637 776856819 /nfs/dbraw/zinc/85/68/19/776856819.db2.gz WOYSGWBSRIHAHZ-KBPBESRZSA-N 2 2 322.413 -1.038 20 0 DAADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818637 776856827 /nfs/dbraw/zinc/85/68/27/776856827.db2.gz WOYSGWBSRIHAHZ-KBPBESRZSA-N 2 2 322.413 -1.038 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@@H+](C)[C@H](CO)C2)C[C@H]1CO ZINC001119821248 779513411 /nfs/dbraw/zinc/51/34/11/779513411.db2.gz NYHPLQWVOODSSG-PIGHNIFASA-N 2 2 312.458 -1.241 20 0 DAADLP C[NH+]1CCN(C/C=C/CN2CC[N@H+](C)[C@H](CO)C2)C[C@H]1CO ZINC001119821248 779513419 /nfs/dbraw/zinc/51/34/19/779513419.db2.gz NYHPLQWVOODSSG-PIGHNIFASA-N 2 2 312.458 -1.241 20 0 DAADLP O=C(C[NH2+]C1CC1)N1CC[NH2+]CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC001122183799 779557240 /nfs/dbraw/zinc/55/72/40/779557240.db2.gz ZNSYNDHDTSBWAJ-UHFFFAOYSA-N 3 2 323.441 -1.249 20 0 DAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001161237754 779584187 /nfs/dbraw/zinc/58/41/87/779584187.db2.gz OIFGWBWLXHVGPS-GHMZBOCLSA-N 2 2 312.370 -2.368 20 0 DAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001161237754 779584195 /nfs/dbraw/zinc/58/41/95/779584195.db2.gz OIFGWBWLXHVGPS-GHMZBOCLSA-N 2 2 312.370 -2.368 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001125214897 779609265 /nfs/dbraw/zinc/60/92/65/779609265.db2.gz XGEXRMMEXRKJGH-NSHDSACASA-N 2 2 322.369 -1.549 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001125214897 779609268 /nfs/dbraw/zinc/60/92/68/779609268.db2.gz XGEXRMMEXRKJGH-NSHDSACASA-N 2 2 322.369 -1.549 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001149565121 779635609 /nfs/dbraw/zinc/63/56/09/779635609.db2.gz ZHRQIKZFHYKLAC-NSHDSACASA-N 2 2 307.354 -1.136 20 0 DAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570837 779636035 /nfs/dbraw/zinc/63/60/35/779636035.db2.gz BRZGTVSFSCXERC-SNVBAGLBSA-N 2 2 324.385 -1.097 20 0 DAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001149559896 779636339 /nfs/dbraw/zinc/63/63/39/779636339.db2.gz XQDNXAAAMIHMOT-UHFFFAOYSA-N 2 2 323.397 -1.083 20 0 DAADLP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150588016 779663390 /nfs/dbraw/zinc/66/33/90/779663390.db2.gz LYEJDVIKXBLQSA-GFCCVEGCSA-N 2 2 316.402 -1.743 20 0 DAADLP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150588016 779663398 /nfs/dbraw/zinc/66/33/98/779663398.db2.gz LYEJDVIKXBLQSA-GFCCVEGCSA-N 2 2 316.402 -1.743 20 0 DAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151065196 779671233 /nfs/dbraw/zinc/67/12/33/779671233.db2.gz IBTPFJJEWKQKRO-SNVBAGLBSA-N 2 2 324.385 -1.484 20 0 DAADLP CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151065196 779671237 /nfs/dbraw/zinc/67/12/37/779671237.db2.gz IBTPFJJEWKQKRO-SNVBAGLBSA-N 2 2 324.385 -1.484 20 0 DAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151748547 779683727 /nfs/dbraw/zinc/68/37/27/779683727.db2.gz GWBIGWMOUDREKP-GFCCVEGCSA-N 2 2 323.401 -1.066 20 0 DAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001151748547 779683729 /nfs/dbraw/zinc/68/37/29/779683729.db2.gz GWBIGWMOUDREKP-GFCCVEGCSA-N 2 2 323.401 -1.066 20 0 DAADLP C[C@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001153356622 779702909 /nfs/dbraw/zinc/70/29/09/779702909.db2.gz UWWLWEAAOWMSOX-JTQLQIEISA-N 2 2 310.358 -1.048 20 0 DAADLP CN(CC[NH2+]CCNC(=O)Cn1cc[nH+]c1)S(C)(=O)=O ZINC001153496275 779705306 /nfs/dbraw/zinc/70/53/06/779705306.db2.gz YMJUVXZCKVRWFO-UHFFFAOYSA-N 2 2 303.388 -1.520 20 0 DAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001156146017 779739855 /nfs/dbraw/zinc/73/98/55/779739855.db2.gz SASOGTQSMSVPEV-GFCCVEGCSA-N 2 2 323.401 -1.066 20 0 DAADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001156146017 779739857 /nfs/dbraw/zinc/73/98/57/779739857.db2.gz SASOGTQSMSVPEV-GFCCVEGCSA-N 2 2 323.401 -1.066 20 0 DAADLP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)nc1=O ZINC001156144878 779740451 /nfs/dbraw/zinc/74/04/51/779740451.db2.gz GRAVIIUBTNNUDR-JTQLQIEISA-N 2 2 312.374 -1.965 20 0 DAADLP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1=O ZINC001156144878 779740459 /nfs/dbraw/zinc/74/04/59/779740459.db2.gz GRAVIIUBTNNUDR-JTQLQIEISA-N 2 2 312.374 -1.965 20 0 DAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cnc2n1CC[NH2+]C2 ZINC001157355539 779752662 /nfs/dbraw/zinc/75/26/62/779752662.db2.gz UDXHGWGEBOLURZ-JTQLQIEISA-N 2 2 308.386 -1.040 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496454 779755562 /nfs/dbraw/zinc/75/55/62/779755562.db2.gz FQPUCEXVNAXFNK-FQUUOJAGSA-N 2 2 322.409 -1.214 20 0 DAADLP O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001157496455 779755732 /nfs/dbraw/zinc/75/57/32/779755732.db2.gz FQPUCEXVNAXFNK-IGQOVBAYSA-N 2 2 322.409 -1.214 20 0 DAADLP [NH3+]Cc1nc(=O)[nH]n1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001157934187 779761499 /nfs/dbraw/zinc/76/14/99/779761499.db2.gz REYQQCSWXDZLBN-UHFFFAOYSA-N 2 2 303.326 -1.128 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158005631 779763876 /nfs/dbraw/zinc/76/38/76/779763876.db2.gz AIGLHHMDITYOIC-UWVGGRQHSA-N 3 2 304.416 -1.631 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001157999759 779764104 /nfs/dbraw/zinc/76/41/04/779764104.db2.gz UFRLAFBZIOMUNH-DGCLKSJQSA-N 2 2 321.381 -1.034 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CCC(N)=O ZINC001157998508 779764228 /nfs/dbraw/zinc/76/42/28/779764228.db2.gz GSGZCRBTQAYLSC-UWVGGRQHSA-N 2 2 300.359 -1.667 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1OC(C)=O ZINC001158006686 779764390 /nfs/dbraw/zinc/76/43/90/779764390.db2.gz MUVCOBYJAOYCOS-SRVKXCTJSA-N 2 2 313.354 -1.499 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001157998934 779764477 /nfs/dbraw/zinc/76/44/77/779764477.db2.gz KVDXUNLWPXVBGV-MWLCHTKSSA-N 2 2 310.354 -2.172 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001158006002 779764679 /nfs/dbraw/zinc/76/46/79/779764679.db2.gz HBHMPURSFWHRDJ-QWRGUYRKSA-N 2 2 312.370 -1.782 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001157998806 779764719 /nfs/dbraw/zinc/76/47/19/779764719.db2.gz HVUQMXWGSWBUBF-AUKWLOTRSA-N 2 2 305.400 -1.554 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001157998807 779764732 /nfs/dbraw/zinc/76/47/32/779764732.db2.gz HVUQMXWGSWBUBF-DCLVOVMVSA-N 2 2 305.400 -1.554 20 0 DAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157999078 779764783 /nfs/dbraw/zinc/76/47/83/779764783.db2.gz NWJJNZQTLGQJQI-GHMZBOCLSA-N 2 2 312.370 -2.320 20 0 DAADLP O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158109782 779767006 /nfs/dbraw/zinc/76/70/06/779767006.db2.gz CHRJPKJESVKDQE-HFBAOOFYSA-N 3 2 319.409 -2.124 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102582 779767223 /nfs/dbraw/zinc/76/72/23/779767223.db2.gz UJNZOZLGQRKQJI-IUODEOHRSA-N 3 2 324.429 -2.573 20 0 DAADLP O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158109783 779767247 /nfs/dbraw/zinc/76/72/47/779767247.db2.gz CHRJPKJESVKDQE-IUIKQTSFSA-N 3 2 319.409 -2.124 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120648 779769306 /nfs/dbraw/zinc/76/93/06/779769306.db2.gz PBAAAHMQHWORSQ-LKFCYVNXSA-N 2 2 310.354 -2.185 20 0 DAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001158235927 779772955 /nfs/dbraw/zinc/77/29/55/779772955.db2.gz UJNXDLHAYCKJON-PXWWUCIGSA-N 2 2 308.338 -1.073 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326091 779773771 /nfs/dbraw/zinc/77/37/71/779773771.db2.gz GPUREFCDWFOPCC-NSHDSACASA-N 2 2 307.354 -1.213 20 0 DAADLP O=C(N1CCC2(CC1)COCC(=O)N2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158327103 779774447 /nfs/dbraw/zinc/77/44/47/779774447.db2.gz RBXJVIXVYKYXBL-XHDPSFHLSA-N 2 2 308.382 -1.555 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532638 779777237 /nfs/dbraw/zinc/77/72/37/779777237.db2.gz CZEFATZWMSMULY-MPXOCVNLSA-N 2 2 307.358 -1.951 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535621 779778347 /nfs/dbraw/zinc/77/83/47/779778347.db2.gz YDZYOXUVPQXNDI-LALPHHSUSA-N 2 2 308.382 -1.602 20 0 DAADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001158604795 779778369 /nfs/dbraw/zinc/77/83/69/779778369.db2.gz QSHOAZUHZFUWSU-LLVKDONJSA-N 2 2 301.391 -1.447 20 0 DAADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001159046690 779786616 /nfs/dbraw/zinc/78/66/16/779786616.db2.gz ICRHPQQTRWZWPB-XHJNMGKDSA-N 2 2 324.425 -1.125 20 0 DAADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001159109499 779788232 /nfs/dbraw/zinc/78/82/32/779788232.db2.gz XWTKJGMYDKCVLJ-QNWJLWSRSA-N 2 2 310.398 -1.467 20 0 DAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)C1 ZINC001159273134 779791991 /nfs/dbraw/zinc/79/19/91/779791991.db2.gz PAXUIDIJRJKHPG-XQHKEYJVSA-N 2 2 318.381 -1.418 20 0 DAADLP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C3)n1 ZINC001159470953 779794086 /nfs/dbraw/zinc/79/40/86/779794086.db2.gz COCARIMJXKRGRE-YAMSLAJTSA-N 2 2 307.354 -1.349 20 0 DAADLP [NH3+]CCNCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514327 779794415 /nfs/dbraw/zinc/79/44/15/779794415.db2.gz BNZUKLOMDZKIRO-UHFFFAOYSA-N 2 2 318.385 -1.197 20 0 DAADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2C[NH2+]C[C@H]2CO)nc[nH+]1 ZINC001159681412 779796117 /nfs/dbraw/zinc/79/61/17/779796117.db2.gz OWOAYPXVVCTXIV-DCAQKATOSA-N 2 2 306.370 -1.077 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)C1 ZINC001159770464 779797122 /nfs/dbraw/zinc/79/71/22/779797122.db2.gz UJMBQJSPWWNGEQ-QNSTZXKLSA-N 2 2 322.409 -1.040 20 0 DAADLP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2 ZINC001159930039 779798670 /nfs/dbraw/zinc/79/86/70/779798670.db2.gz PJRTVRXEPYOJOM-UWVGGRQHSA-N 2 2 307.358 -2.054 20 0 DAADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)[C@H]2C1 ZINC001159998325 779799349 /nfs/dbraw/zinc/79/93/49/779799349.db2.gz FXXVGRSXJRGOMZ-RHYQMDGZSA-N 2 2 316.427 -1.442 20 0 DAADLP CC(=O)NCc1nnc2n1CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001159929332 779799547 /nfs/dbraw/zinc/79/95/47/779799547.db2.gz CJNARMFCIYSJGP-UHFFFAOYSA-N 2 2 321.385 -1.663 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157510 779800252 /nfs/dbraw/zinc/80/02/52/779800252.db2.gz XLVHKZFGGSQCFT-TUAOUCFPSA-N 2 2 321.385 -1.609 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157510 779800262 /nfs/dbraw/zinc/80/02/62/779800262.db2.gz XLVHKZFGGSQCFT-TUAOUCFPSA-N 2 2 321.385 -1.609 20 0 DAADLP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001160171474 779801308 /nfs/dbraw/zinc/80/13/08/779801308.db2.gz MAAMSZSNKFEEKN-CQSZACIVSA-N 2 2 323.397 -1.983 20 0 DAADLP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CCO2 ZINC001160180561 779803174 /nfs/dbraw/zinc/80/31/74/779803174.db2.gz VLKHQLMKNZGIJD-YDHLFZDLSA-N 2 2 310.398 -1.085 20 0 DAADLP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CCC2 ZINC001160322353 779805680 /nfs/dbraw/zinc/80/56/80/779805680.db2.gz AATRCWRJTSYLQM-RYUDHWBXSA-N 2 2 320.397 -1.059 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160431772 779806408 /nfs/dbraw/zinc/80/64/08/779806408.db2.gz FGDLUQLFCMXAJJ-PWSUYJOCSA-N 2 2 302.400 -1.958 20 0 DAADLP CS(=O)(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160431773 779806578 /nfs/dbraw/zinc/80/65/78/779806578.db2.gz FGDLUQLFCMXAJJ-ZYHUDNBSSA-N 2 2 302.400 -1.958 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160484797 779807626 /nfs/dbraw/zinc/80/76/26/779807626.db2.gz DWQIDFRLNDPKEN-BBRMVZONSA-N 2 2 323.441 -1.393 20 0 DAADLP [NH3+]C1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC001160483959 779808277 /nfs/dbraw/zinc/80/82/77/779808277.db2.gz NYTWYPIZAXPREH-UHFFFAOYSA-N 2 2 323.441 -1.166 20 0 DAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160484891 779808312 /nfs/dbraw/zinc/80/83/12/779808312.db2.gz IUZYIHHUUAKYAX-MELADBBJSA-N 2 2 323.441 -1.395 20 0 DAADLP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160494762 779809729 /nfs/dbraw/zinc/80/97/29/779809729.db2.gz VDWKPENVRLCGIH-QHOPCYEYSA-N 2 2 317.367 -1.851 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160507246 779809980 /nfs/dbraw/zinc/80/99/80/779809980.db2.gz VSWIYUODEHURBH-AVGNSLFASA-N 2 2 310.398 -1.227 20 0 DAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC(N3CCNC(=O)C3)C2)cc1 ZINC001160640617 779813184 /nfs/dbraw/zinc/81/31/84/779813184.db2.gz JLFIRKVTQVYXGB-AWEZNQCLSA-N 2 2 317.393 -1.099 20 0 DAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC(N3CCNC(=O)C3)C2)cc1 ZINC001160640618 779813604 /nfs/dbraw/zinc/81/36/04/779813604.db2.gz JLFIRKVTQVYXGB-CQSZACIVSA-N 2 2 317.393 -1.099 20 0 DAADLP O=C(N1CCc2[nH]c(=O)[nH]c(=O)c2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160640557 779813930 /nfs/dbraw/zinc/81/39/30/779813930.db2.gz HKTZHZOLYIADGB-RTHLEPHNSA-N 2 2 305.338 -1.276 20 0 DAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160774452 779817723 /nfs/dbraw/zinc/81/77/23/779817723.db2.gz UICKAGYGGIRGBD-BDAKNGLRSA-N 2 2 319.383 -2.149 20 0 DAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772677 779817791 /nfs/dbraw/zinc/81/77/91/779817791.db2.gz VFVYYLWAWHLAPE-NSHDSACASA-N 2 2 307.354 -1.213 20 0 DAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC001161138986 779827837 /nfs/dbraw/zinc/82/78/37/779827837.db2.gz IQLYLFDAJYOKQM-RULNRJAQSA-N 2 2 313.354 -1.512 20 0 DAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)C1 ZINC001161139585 779827959 /nfs/dbraw/zinc/82/79/59/779827959.db2.gz YALWUUUIFYOTOQ-SMDDNHRTSA-N 2 2 314.386 -1.277 20 0 DAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C1 ZINC001161139437 779828432 /nfs/dbraw/zinc/82/84/32/779828432.db2.gz UFPNLCLCNIWGBN-HZMBPMFUSA-N 2 2 314.386 -1.421 20 0 DAADLP CCOC(=O)CN(CCC[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC001161154338 779829336 /nfs/dbraw/zinc/82/93/36/779829336.db2.gz XNYOJTCVFUWBMV-UHFFFAOYSA-N 2 2 300.359 -1.841 20 0 DAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001161238680 779830623 /nfs/dbraw/zinc/83/06/23/779830623.db2.gz VMHRYLSJGDPDHF-GUBZILKMSA-N 2 2 316.358 -2.874 20 0 DAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001161238680 779830627 /nfs/dbraw/zinc/83/06/27/779830627.db2.gz VMHRYLSJGDPDHF-GUBZILKMSA-N 2 2 316.358 -2.874 20 0 DAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2ccnn2CC[C@H]1CO ZINC001161172509 779830983 /nfs/dbraw/zinc/83/09/83/779830983.db2.gz VHEFIBLQBHGDFZ-DOERSZECSA-N 2 2 305.382 -1.074 20 0 DAADLP O=C(N1CCN(c2ncncn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161247588 779832394 /nfs/dbraw/zinc/83/23/94/779832394.db2.gz JGHKINCULIDJBI-RISCZKNCSA-N 2 2 303.370 -1.528 20 0 DAADLP O=C(N1CCN(c2ncncn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161247589 779832521 /nfs/dbraw/zinc/83/25/21/779832521.db2.gz JGHKINCULIDJBI-SMDDNHRTSA-N 2 2 303.370 -1.528 20 0 DAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCN1C(C)=O ZINC001161295159 779833991 /nfs/dbraw/zinc/83/39/91/779833991.db2.gz HBZRSNVIPDPTOK-NWDGAFQWSA-N 2 2 323.353 -1.488 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382123 779836245 /nfs/dbraw/zinc/83/62/45/779836245.db2.gz SGGCXKKUORPZTE-MNOVXSKESA-N 2 2 309.374 -1.607 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001161478743 779838516 /nfs/dbraw/zinc/83/85/16/779838516.db2.gz NXDWAROVEZWPIJ-LVYCXYHQSA-N 3 2 322.409 -1.310 20 0 DAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001161478653 779838539 /nfs/dbraw/zinc/83/85/39/779838539.db2.gz NGXVKZIURXRXAG-AVRGHOLYSA-N 3 2 322.409 -1.309 20 0 DAADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001161477464 779839136 /nfs/dbraw/zinc/83/91/36/779839136.db2.gz IVIAIXHHUZROJP-IGJMFERPSA-N 2 2 323.357 -2.177 20 0 DAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001161601680 779843507 /nfs/dbraw/zinc/84/35/07/779843507.db2.gz JRNGFPYIIUSFQB-ZDEQEGDKSA-N 2 2 300.378 -1.053 20 0 DAADLP C[NH+]1CCN(c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nn2)CC1 ZINC001162435279 779851530 /nfs/dbraw/zinc/85/15/30/779851530.db2.gz CHGCCNGGMCRKTO-IHRRRGAJSA-N 2 2 319.417 -2.275 20 0 DAADLP C[NH+]1CCN(c2nccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n2)CC1 ZINC001162443132 779856929 /nfs/dbraw/zinc/85/69/29/779856929.db2.gz FXQZLSVLMQYDPJ-RWMBFGLXSA-N 2 2 319.417 -2.275 20 0 DAADLP NC(=O)C1CCN(c2cc(N(CC[NH3+])CCO)nc[nH+]2)CC1 ZINC001163829858 779870532 /nfs/dbraw/zinc/87/05/32/779870532.db2.gz GDTBKOOROVVTGM-UHFFFAOYSA-N 2 2 308.386 -1.064 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001165731423 779887356 /nfs/dbraw/zinc/88/73/56/779887356.db2.gz AZNUYLQTQTZLPQ-SKDRFNHKSA-N 2 2 324.385 -1.573 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001165731423 779887360 /nfs/dbraw/zinc/88/73/60/779887360.db2.gz AZNUYLQTQTZLPQ-SKDRFNHKSA-N 2 2 324.385 -1.573 20 0 DAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166961466 779895694 /nfs/dbraw/zinc/89/56/94/779895694.db2.gz PWFUEBHZHXPJBV-NXEZZACHSA-N 2 2 322.369 -1.186 20 0 DAADLP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076525 779899083 /nfs/dbraw/zinc/89/90/83/779899083.db2.gz PQLCAJILKXRCJV-UHFFFAOYSA-N 2 2 322.369 -1.081 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206404324 779909537 /nfs/dbraw/zinc/90/95/37/779909537.db2.gz YMAXUMMDEQHFCB-UHFFFAOYSA-N 2 2 322.369 -1.025 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001208699796 779942621 /nfs/dbraw/zinc/94/26/21/779942621.db2.gz UKYULLQBVPUCRX-MXWKQRLJSA-N 2 2 313.402 -1.042 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001208699796 779942625 /nfs/dbraw/zinc/94/26/25/779942625.db2.gz UKYULLQBVPUCRX-MXWKQRLJSA-N 2 2 313.402 -1.042 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305704 779960853 /nfs/dbraw/zinc/96/08/53/779960853.db2.gz ZQNREWOSEAWZPH-VIFPVBQESA-N 2 2 308.342 -1.272 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001211054050 779966964 /nfs/dbraw/zinc/96/69/64/779966964.db2.gz GZNNZYDDCXQNPW-JHJVBQTASA-N 2 2 312.414 -1.124 20 0 DAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001211054050 779966967 /nfs/dbraw/zinc/96/69/67/779966967.db2.gz GZNNZYDDCXQNPW-JHJVBQTASA-N 2 2 312.414 -1.124 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001213265267 779973484 /nfs/dbraw/zinc/97/34/84/779973484.db2.gz YUVPODSWDLWLDX-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001213265267 779973489 /nfs/dbraw/zinc/97/34/89/779973489.db2.gz YUVPODSWDLWLDX-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001213265267 779973495 /nfs/dbraw/zinc/97/34/95/779973495.db2.gz YUVPODSWDLWLDX-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001213265267 779973500 /nfs/dbraw/zinc/97/35/00/779973500.db2.gz YUVPODSWDLWLDX-AAVRWANBSA-N 2 2 315.414 -1.097 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001213594863 779980825 /nfs/dbraw/zinc/98/08/25/779980825.db2.gz QFQYGOZCXHXOEX-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001213594863 779980835 /nfs/dbraw/zinc/98/08/35/779980835.db2.gz QFQYGOZCXHXOEX-VXGBXAGGSA-N 2 2 300.403 -1.110 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001215455718 780007913 /nfs/dbraw/zinc/00/79/13/780007913.db2.gz DPXCXOXPWUJDIM-DDTOSNHZSA-N 2 2 323.397 -1.114 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001215455718 780007920 /nfs/dbraw/zinc/00/79/20/780007920.db2.gz DPXCXOXPWUJDIM-DDTOSNHZSA-N 2 2 323.397 -1.114 20 0 DAADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)NC(N)=O ZINC001215685812 780008023 /nfs/dbraw/zinc/00/80/23/780008023.db2.gz VZMCJDIDRWCKOF-WCABBAIRSA-N 2 2 322.369 -1.028 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216061540 780012556 /nfs/dbraw/zinc/01/25/56/780012556.db2.gz JZRJDRHCLAYWLH-NXEZZACHSA-N 2 2 322.369 -1.156 20 0 DAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216382911 780013370 /nfs/dbraw/zinc/01/33/70/780013370.db2.gz DWGMTESQNYDELH-MWLCHTKSSA-N 2 2 322.369 -1.406 20 0 DAADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216566183 780014272 /nfs/dbraw/zinc/01/42/72/780014272.db2.gz TYFGNEZYSKGUEJ-LDYMZIIASA-N 2 2 322.369 -1.108 20 0 DAADLP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001218901986 780043770 /nfs/dbraw/zinc/04/37/70/780043770.db2.gz RYZQICCZHOXABD-XVKPBYJWSA-N 2 2 314.367 -1.072 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068981 780044678 /nfs/dbraw/zinc/04/46/78/780044678.db2.gz SEOYLFMZUOPCIA-HZSPNIEDSA-N 2 2 324.381 -1.198 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068981 780044684 /nfs/dbraw/zinc/04/46/84/780044684.db2.gz SEOYLFMZUOPCIA-HZSPNIEDSA-N 2 2 324.381 -1.198 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219358023 780084617 /nfs/dbraw/zinc/08/46/17/780084617.db2.gz TYZYCLFYZJYHKJ-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219358023 780084625 /nfs/dbraw/zinc/08/46/25/780084625.db2.gz TYZYCLFYZJYHKJ-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219358023 780084632 /nfs/dbraw/zinc/08/46/32/780084632.db2.gz TYZYCLFYZJYHKJ-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219358023 780084636 /nfs/dbraw/zinc/08/46/36/780084636.db2.gz TYZYCLFYZJYHKJ-UPJWGTAASA-N 2 2 301.387 -1.749 20 0 DAADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411393 780093362 /nfs/dbraw/zinc/09/33/62/780093362.db2.gz HMVVSPXLDMWTDW-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411393 780093370 /nfs/dbraw/zinc/09/33/70/780093370.db2.gz HMVVSPXLDMWTDW-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411393 780093375 /nfs/dbraw/zinc/09/33/75/780093375.db2.gz HMVVSPXLDMWTDW-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP COCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411393 780093385 /nfs/dbraw/zinc/09/33/85/780093385.db2.gz HMVVSPXLDMWTDW-RDBSUJKOSA-N 2 2 315.414 -1.095 20 0 DAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001219411412 780093541 /nfs/dbraw/zinc/09/35/41/780093541.db2.gz IPIPWECQRBCPLY-AGIUHOORSA-N 2 2 317.386 -2.513 20 0 DAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001219411412 780093548 /nfs/dbraw/zinc/09/35/48/780093548.db2.gz IPIPWECQRBCPLY-AGIUHOORSA-N 2 2 317.386 -2.513 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411412 780093550 /nfs/dbraw/zinc/09/35/50/780093550.db2.gz IPIPWECQRBCPLY-AGIUHOORSA-N 2 2 317.386 -2.513 20 0 DAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411412 780093558 /nfs/dbraw/zinc/09/35/58/780093558.db2.gz IPIPWECQRBCPLY-AGIUHOORSA-N 2 2 317.386 -2.513 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219551258 780115665 /nfs/dbraw/zinc/11/56/65/780115665.db2.gz UYHVENXAVUHYCP-NEPJUHHUSA-N 2 2 312.370 -1.488 20 0 DAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219551258 780115670 /nfs/dbraw/zinc/11/56/70/780115670.db2.gz UYHVENXAVUHYCP-NEPJUHHUSA-N 2 2 312.370 -1.488 20 0 DAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC001219573785 780119406 /nfs/dbraw/zinc/11/94/06/780119406.db2.gz VWCAFSNARGULEA-LBPRGKRZSA-N 2 2 309.370 -1.345 20 0 DAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CSC[NH2+]1 ZINC001219676226 780132174 /nfs/dbraw/zinc/13/21/74/780132174.db2.gz BXPDVAYQRUVVTJ-VIFPVBQESA-N 2 2 308.429 -2.000 20 0 DAADLP [NH3+][C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)C(=O)OCc1ccccc1 ZINC001219712239 780136395 /nfs/dbraw/zinc/13/63/95/780136395.db2.gz NJKYDWHQOPLPHD-JHJVBQTASA-N 2 2 307.350 -1.104 20 0 DAADLP CCn1nnc2c1[C@@H](C(=O)NC[C@@H]1CC3(C[NH2+]C3)CO1)C[NH2+]C2 ZINC001219737433 780139949 /nfs/dbraw/zinc/13/99/49/780139949.db2.gz VYBDAZSZMATHAK-QWRGUYRKSA-N 2 2 320.397 -1.021 20 0 DAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739045 780141836 /nfs/dbraw/zinc/14/18/36/780141836.db2.gz GABSUDSSXCRTKH-STQMWFEESA-N 3 2 311.430 -1.769 20 0 DAADLP O=C(CN1CC[NH2+]CC1=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750045 780142415 /nfs/dbraw/zinc/14/24/15/780142415.db2.gz VQSURFWLHIEYNC-UHFFFAOYSA-N 2 2 307.358 -2.181 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219787698 780145813 /nfs/dbraw/zinc/14/58/13/780145813.db2.gz JKCCAZRUAFETDL-JQWIXIFHSA-N 2 2 318.385 -1.203 20 0 DAADLP O=C(C[C@H]1COCC[NH2+]1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807238 780150367 /nfs/dbraw/zinc/15/03/67/780150367.db2.gz AOLHBDWUYJPXJU-LBPRGKRZSA-N 2 2 321.381 -1.269 20 0 DAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]CCO1 ZINC001219806392 780150612 /nfs/dbraw/zinc/15/06/12/780150612.db2.gz UURRZFATWBYVSU-NSHDSACASA-N 2 2 307.354 -1.659 20 0 DAADLP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219834909 780153411 /nfs/dbraw/zinc/15/34/11/780153411.db2.gz UJZVOPBPQFGFFS-IPVBOJNNSA-N 3 2 324.425 -1.552 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833892 780153558 /nfs/dbraw/zinc/15/35/58/780153558.db2.gz LOJIBALRBSKNEX-SUNKGSAMSA-N 2 2 315.370 -1.612 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833890 780153613 /nfs/dbraw/zinc/15/36/13/780153613.db2.gz LOJIBALRBSKNEX-COPLHBTASA-N 2 2 315.370 -1.612 20 0 DAADLP CS(=O)(=O)N(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccc(C[NH3+])cc1 ZINC001219938901 780164821 /nfs/dbraw/zinc/16/48/21/780164821.db2.gz IREFVACWAUXERT-RYUDHWBXSA-N 3 2 312.395 -1.015 20 0 DAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001219967671 780167291 /nfs/dbraw/zinc/16/72/91/780167291.db2.gz FFZMIALGCISEIB-WYFGTUCQSA-N 2 2 314.386 -1.504 20 0 DAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969480 780167609 /nfs/dbraw/zinc/16/76/09/780167609.db2.gz BIAZAGFQERVWSZ-ZYHUDNBSSA-N 2 2 310.402 -1.635 20 0 DAADLP CCn1c(N)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c(=O)n(CC)c1=O ZINC001219972619 780169361 /nfs/dbraw/zinc/16/93/61/780169361.db2.gz SEQHEHDXEPLCPI-UHFFFAOYSA-N 2 2 324.385 -1.349 20 0 DAADLP CCOC(=O)c1nnc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)o1 ZINC001220011246 780170716 /nfs/dbraw/zinc/17/07/16/780170716.db2.gz TYJYDSVUBSKLER-AMIZOPFISA-N 2 2 309.326 -1.186 20 0 DAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010605 780171000 /nfs/dbraw/zinc/17/10/00/780171000.db2.gz APBFLAXBSAFUMY-UPJWGTAASA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010605 780171003 /nfs/dbraw/zinc/17/10/03/780171003.db2.gz APBFLAXBSAFUMY-UPJWGTAASA-N 2 2 312.370 -1.640 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103915 780177878 /nfs/dbraw/zinc/17/78/78/780177878.db2.gz OMHYBZISRRILGA-XQQFMLRXSA-N 2 2 312.370 -1.558 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103915 780177884 /nfs/dbraw/zinc/17/78/84/780177884.db2.gz OMHYBZISRRILGA-XQQFMLRXSA-N 2 2 312.370 -1.558 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230919 780192060 /nfs/dbraw/zinc/19/20/60/780192060.db2.gz UUXCTICCTRFSPK-TUAOUCFPSA-N 2 2 312.414 -1.376 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230919 780192069 /nfs/dbraw/zinc/19/20/69/780192069.db2.gz UUXCTICCTRFSPK-TUAOUCFPSA-N 2 2 312.414 -1.376 20 0 DAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232199 780192086 /nfs/dbraw/zinc/19/20/86/780192086.db2.gz JNMUAFIEWCJCSI-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232199 780192094 /nfs/dbraw/zinc/19/20/94/780192094.db2.gz JNMUAFIEWCJCSI-NEPJUHHUSA-N 2 2 300.403 -1.374 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220230723 780192264 /nfs/dbraw/zinc/19/22/64/780192264.db2.gz PYLNGAVXLDESSP-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220230723 780192270 /nfs/dbraw/zinc/19/22/70/780192270.db2.gz PYLNGAVXLDESSP-OLZOCXBDSA-N 2 2 312.414 -1.278 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220237010 780192352 /nfs/dbraw/zinc/19/23/52/780192352.db2.gz NAVPJQWVZNQNKI-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220237010 780192358 /nfs/dbraw/zinc/19/23/58/780192358.db2.gz NAVPJQWVZNQNKI-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220228860 780192562 /nfs/dbraw/zinc/19/25/62/780192562.db2.gz AVFVTWMGFMYFBN-UTUOFQBUSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2O)CC1 ZINC001220228860 780192565 /nfs/dbraw/zinc/19/25/65/780192565.db2.gz AVFVTWMGFMYFBN-UTUOFQBUSA-N 2 2 310.398 -1.622 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001220229195 780192926 /nfs/dbraw/zinc/19/29/26/780192926.db2.gz RLMMOSRQDMDYPT-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001220229195 780192930 /nfs/dbraw/zinc/19/29/30/780192930.db2.gz RLMMOSRQDMDYPT-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272148 780198098 /nfs/dbraw/zinc/19/80/98/780198098.db2.gz QZHZSXBNIGOCHY-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272148 780198105 /nfs/dbraw/zinc/19/81/05/780198105.db2.gz QZHZSXBNIGOCHY-NEPJUHHUSA-N 2 2 300.403 -1.422 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277075 780198899 /nfs/dbraw/zinc/19/88/99/780198899.db2.gz PYFPTGJRRXEEJC-UTUOFQBUSA-N 2 2 300.403 -1.424 20 0 DAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277075 780198901 /nfs/dbraw/zinc/19/89/01/780198901.db2.gz PYFPTGJRRXEEJC-UTUOFQBUSA-N 2 2 300.403 -1.424 20 0 DAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291110 780200703 /nfs/dbraw/zinc/20/07/03/780200703.db2.gz LXASNAZXOGRAFT-SNVBAGLBSA-N 2 2 319.387 -2.350 20 0 DAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291110 780200712 /nfs/dbraw/zinc/20/07/12/780200712.db2.gz LXASNAZXOGRAFT-SNVBAGLBSA-N 2 2 319.387 -2.350 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310607 780201281 /nfs/dbraw/zinc/20/12/81/780201281.db2.gz CWJYAECXUSMFSK-QMMMGPOBSA-N 2 2 305.346 -1.924 20 0 DAADLP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220310437 780202075 /nfs/dbraw/zinc/20/20/75/780202075.db2.gz AMSPYHKXBFXRSC-SDDRHHMPSA-N 3 2 304.398 -1.058 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001220376205 780206858 /nfs/dbraw/zinc/20/68/58/780206858.db2.gz RCTHWDSIFCEBNQ-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)[NH+](C)C ZINC001220376205 780206863 /nfs/dbraw/zinc/20/68/63/780206863.db2.gz RCTHWDSIFCEBNQ-AGIUHOORSA-N 2 2 312.414 -1.280 20 0 DAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220391454 780210407 /nfs/dbraw/zinc/21/04/07/780210407.db2.gz HPIBMDJHCUXZIG-RYUDHWBXSA-N 2 2 306.370 -1.524 20 0 DAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481997 780218622 /nfs/dbraw/zinc/21/86/22/780218622.db2.gz XWYOVHYCMIFTER-WTBMIXGQSA-N 2 2 303.359 -1.282 20 0 DAADLP COC(=O)c1ncc(=O)[nH]c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220514543 780221251 /nfs/dbraw/zinc/22/12/51/780221251.db2.gz ORJZXLJPMQEOCJ-UHFFFAOYSA-N 2 2 309.326 -1.163 20 0 DAADLP COC(=O)CNC(=O)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220575104 780228202 /nfs/dbraw/zinc/22/82/02/780228202.db2.gz GFXWCZTUPPLJDM-JTQLQIEISA-N 2 2 315.374 -2.858 20 0 DAADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571373 780228732 /nfs/dbraw/zinc/22/87/32/780228732.db2.gz PXGUYIMCWITIQB-LBPRGKRZSA-N 2 2 312.414 -1.076 20 0 DAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571049 780229169 /nfs/dbraw/zinc/22/91/69/780229169.db2.gz HLKDZWHZBDYYAB-UWVGGRQHSA-N 2 2 300.359 -2.741 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220582851 780230901 /nfs/dbraw/zinc/23/09/01/780230901.db2.gz HJBRPZYYRXMCIJ-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220582851 780230903 /nfs/dbraw/zinc/23/09/03/780230903.db2.gz HJBRPZYYRXMCIJ-UPJWGTAASA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688511 780239144 /nfs/dbraw/zinc/23/91/44/780239144.db2.gz JGGDBNXPWYITIC-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688511 780239148 /nfs/dbraw/zinc/23/91/48/780239148.db2.gz JGGDBNXPWYITIC-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688511 780239154 /nfs/dbraw/zinc/23/91/54/780239154.db2.gz JGGDBNXPWYITIC-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688511 780239160 /nfs/dbraw/zinc/23/91/60/780239160.db2.gz JGGDBNXPWYITIC-UPJWGTAASA-N 2 2 312.414 -1.280 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688464 780239257 /nfs/dbraw/zinc/23/92/57/780239257.db2.gz HQXXHCQUIONIIX-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688464 780239259 /nfs/dbraw/zinc/23/92/59/780239259.db2.gz HQXXHCQUIONIIX-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688464 780239261 /nfs/dbraw/zinc/23/92/61/780239261.db2.gz HQXXHCQUIONIIX-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688464 780239262 /nfs/dbraw/zinc/23/92/62/780239262.db2.gz HQXXHCQUIONIIX-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220683769 780239574 /nfs/dbraw/zinc/23/95/74/780239574.db2.gz ZKIPMDMOEHAQDI-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220683769 780239582 /nfs/dbraw/zinc/23/95/82/780239582.db2.gz ZKIPMDMOEHAQDI-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220683769 780239586 /nfs/dbraw/zinc/23/95/86/780239586.db2.gz ZKIPMDMOEHAQDI-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220683769 780239591 /nfs/dbraw/zinc/23/95/91/780239591.db2.gz ZKIPMDMOEHAQDI-AGIUHOORSA-N 2 2 312.414 -1.232 20 0 DAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757380 780245115 /nfs/dbraw/zinc/24/51/15/780245115.db2.gz CAYLJDGHQPXLJX-XQQFMLRXSA-N 2 2 312.370 -1.869 20 0 DAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757380 780245119 /nfs/dbraw/zinc/24/51/19/780245119.db2.gz CAYLJDGHQPXLJX-XQQFMLRXSA-N 2 2 312.370 -1.869 20 0 DAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764547 780246086 /nfs/dbraw/zinc/24/60/86/780246086.db2.gz OMEUVHNLRRBEFW-UTUOFQBUSA-N 2 2 316.402 -2.010 20 0 DAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764547 780246094 /nfs/dbraw/zinc/24/60/94/780246094.db2.gz OMEUVHNLRRBEFW-UTUOFQBUSA-N 2 2 316.402 -2.010 20 0 DAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768488 780246887 /nfs/dbraw/zinc/24/68/87/780246887.db2.gz OGFOJAUDJAFZGC-NEPJUHHUSA-N 2 2 316.402 -2.186 20 0 DAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768488 780246896 /nfs/dbraw/zinc/24/68/96/780246896.db2.gz OGFOJAUDJAFZGC-NEPJUHHUSA-N 2 2 316.402 -2.186 20 0 DAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220772327 780246967 /nfs/dbraw/zinc/24/69/67/780246967.db2.gz NEOPRXHVUBCQCU-ZYHUDNBSSA-N 2 2 310.354 -1.001 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220771705 780247446 /nfs/dbraw/zinc/24/74/46/780247446.db2.gz CHDGZFFGGKNMKN-FZMZJTMJSA-N 2 2 309.370 -1.299 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220770496 780247634 /nfs/dbraw/zinc/24/76/34/780247634.db2.gz XQGIHURZQHMSEE-RYUDHWBXSA-N 3 2 321.381 -1.571 20 0 DAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768521 780247880 /nfs/dbraw/zinc/24/78/80/780247880.db2.gz PREBMIUKMYEQEN-TUAOUCFPSA-N 2 2 316.402 -2.140 20 0 DAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768521 780247881 /nfs/dbraw/zinc/24/78/81/780247881.db2.gz PREBMIUKMYEQEN-TUAOUCFPSA-N 2 2 316.402 -2.140 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799294 780248678 /nfs/dbraw/zinc/24/86/78/780248678.db2.gz VFHFSZUJGAZHGQ-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799294 780248682 /nfs/dbraw/zinc/24/86/82/780248682.db2.gz VFHFSZUJGAZHGQ-UTUOFQBUSA-N 2 2 300.403 -1.247 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799479 780248859 /nfs/dbraw/zinc/24/88/59/780248859.db2.gz BOGJNWALRKDPME-VQVTYTSYSA-N 2 2 307.280 -1.274 20 0 DAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799477 780248990 /nfs/dbraw/zinc/24/89/90/780248990.db2.gz BOGJNWALRKDPME-DSYKOEDSSA-N 2 2 307.280 -1.274 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220829158 780249959 /nfs/dbraw/zinc/24/99/59/780249959.db2.gz LAXMLLOUIGQOKJ-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220829158 780249961 /nfs/dbraw/zinc/24/99/61/780249961.db2.gz LAXMLLOUIGQOKJ-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220829158 780249966 /nfs/dbraw/zinc/24/99/66/780249966.db2.gz LAXMLLOUIGQOKJ-UPJWGTAASA-N 2 2 312.414 -1.232 20 0 DAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830634 780250232 /nfs/dbraw/zinc/25/02/32/780250232.db2.gz FMVXVNRKSSUAPV-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830634 780250239 /nfs/dbraw/zinc/25/02/39/780250239.db2.gz FMVXVNRKSSUAPV-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220830634 780250249 /nfs/dbraw/zinc/25/02/49/780250249.db2.gz FMVXVNRKSSUAPV-XQQFMLRXSA-N 2 2 314.430 -1.034 20 0 DAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001220826283 780251307 /nfs/dbraw/zinc/25/13/07/780251307.db2.gz WCNCUDNLTPRXOB-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@@H]1O ZINC001220826283 780251312 /nfs/dbraw/zinc/25/13/12/780251312.db2.gz WCNCUDNLTPRXOB-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220826283 780251316 /nfs/dbraw/zinc/25/13/16/780251316.db2.gz WCNCUDNLTPRXOB-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220826283 780251320 /nfs/dbraw/zinc/25/13/20/780251320.db2.gz WCNCUDNLTPRXOB-OLZOCXBDSA-N 2 2 314.430 -1.032 20 0 DAADLP CSCC[C@H](NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220839843 780251378 /nfs/dbraw/zinc/25/13/78/780251378.db2.gz DSJQIIDRSJRXSG-QWRGUYRKSA-N 2 2 317.459 -1.540 20 0 DAADLP O=C(NCCOCCN1C(=O)C=CC1=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220875967 780255108 /nfs/dbraw/zinc/25/51/08/780255108.db2.gz CPQXKRIVHNTWLY-IAQYHMDHSA-N 2 2 322.365 -2.004 20 0 DAADLP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001220871891 780255302 /nfs/dbraw/zinc/25/53/02/780255302.db2.gz BNWMJSPFZSIKFJ-CQSZACIVSA-N 2 2 318.377 -1.046 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)N(O)N=O ZINC001220901067 780256141 /nfs/dbraw/zinc/25/61/41/780256141.db2.gz SJVUEUUIXXIFCQ-KOLCDFICSA-N 3 2 301.351 -2.398 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)N(O)N=O ZINC001220900193 780256228 /nfs/dbraw/zinc/25/62/28/780256228.db2.gz CXPAJWXIULOELJ-KKZNHRDASA-N 3 2 301.351 -2.127 20 0 DAADLP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)N(O)N=O ZINC001220900751 780257005 /nfs/dbraw/zinc/25/70/05/780257005.db2.gz PEELRESMAHQYST-LURJTMIESA-N 2 2 302.299 -3.266 20 0 DAADLP CCn1nnc2c1[C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C[NH2+]C2 ZINC001220937702 780263109 /nfs/dbraw/zinc/26/31/09/780263109.db2.gz XYDOLAIMPSKOIQ-WDEREUQCSA-N 2 2 308.386 -1.021 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976253 780264299 /nfs/dbraw/zinc/26/42/99/780264299.db2.gz QTPFLSCZCIQZEJ-MCIONIFRSA-N 2 2 324.425 -1.374 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976253 780264304 /nfs/dbraw/zinc/26/43/04/780264304.db2.gz QTPFLSCZCIQZEJ-MCIONIFRSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976253 780264309 /nfs/dbraw/zinc/26/43/09/780264309.db2.gz QTPFLSCZCIQZEJ-MCIONIFRSA-N 2 2 324.425 -1.374 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976253 780264313 /nfs/dbraw/zinc/26/43/13/780264313.db2.gz QTPFLSCZCIQZEJ-MCIONIFRSA-N 2 2 324.425 -1.374 20 0 DAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981296 780265851 /nfs/dbraw/zinc/26/58/51/780265851.db2.gz OVTJHXOGWQCSJW-MCIONIFRSA-N 2 2 315.414 -1.238 20 0 DAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981296 780265870 /nfs/dbraw/zinc/26/58/70/780265870.db2.gz OVTJHXOGWQCSJW-MCIONIFRSA-N 2 2 315.414 -1.238 20 0 DAADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001221007190 780269272 /nfs/dbraw/zinc/26/92/72/780269272.db2.gz ZFMZENSVSPQHLC-CYDGBPFRSA-N 3 2 311.430 -1.219 20 0 DAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073044 780272448 /nfs/dbraw/zinc/27/24/48/780272448.db2.gz CRVUEFIMDVTAMJ-XQQFMLRXSA-N 2 2 312.414 -1.103 20 0 DAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073044 780272454 /nfs/dbraw/zinc/27/24/54/780272454.db2.gz CRVUEFIMDVTAMJ-XQQFMLRXSA-N 2 2 312.414 -1.103 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221256781 780285565 /nfs/dbraw/zinc/28/55/65/780285565.db2.gz LUBFAYQPQWRKKJ-WOPDTQHZSA-N 2 2 310.354 -1.409 20 0 DAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001221256889 780286851 /nfs/dbraw/zinc/28/68/51/780286851.db2.gz QCZGTFWJDFEUDJ-RYUDHWBXSA-N 2 2 309.370 -1.428 20 0 DAADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266035 780287424 /nfs/dbraw/zinc/28/74/24/780287424.db2.gz RTJXCAYJKTYLEY-MVCUBJFGSA-N 2 2 300.407 -1.964 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@H]2NCN[C@@H]21 ZINC001221266195 780288002 /nfs/dbraw/zinc/28/80/02/780288002.db2.gz TYESCQFCMKQIRH-JTLRNRKASA-N 2 2 311.390 -3.155 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)[C@@H]2NCN[C@@H]21 ZINC001221265407 780288334 /nfs/dbraw/zinc/28/83/34/780288334.db2.gz LKNSNAJNEAGVNS-ZOZBQHSOSA-N 2 2 322.335 -1.564 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)[C@@H]2NCN[C@H]21 ZINC001221265163 780288575 /nfs/dbraw/zinc/28/85/75/780288575.db2.gz HOOVQOWTMKUNSS-WLRJLXCNSA-N 2 2 322.335 -1.564 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)[C@H]2NCN[C@H]21 ZINC001221265161 780288642 /nfs/dbraw/zinc/28/86/42/780288642.db2.gz HOOVQOWTMKUNSS-RXKWGBCNSA-N 2 2 322.335 -1.564 20 0 DAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)[C@@H]2NCN[C@@H]21 ZINC001221265160 780288699 /nfs/dbraw/zinc/28/86/99/780288699.db2.gz HOOVQOWTMKUNSS-OEZYJKACSA-N 2 2 322.335 -1.564 20 0 DAADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266036 780289022 /nfs/dbraw/zinc/28/90/22/780289022.db2.gz RTJXCAYJKTYLEY-SAVGLBRCSA-N 2 2 300.407 -1.964 20 0 DAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946766 780306020 /nfs/dbraw/zinc/30/60/20/780306020.db2.gz BEDXIDVEIVCAHV-JHJVBQTASA-N 2 2 312.414 -1.029 20 0 DAADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946766 780306025 /nfs/dbraw/zinc/30/60/25/780306025.db2.gz BEDXIDVEIVCAHV-JHJVBQTASA-N 2 2 312.414 -1.029 20 0 DAADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013400 780306839 /nfs/dbraw/zinc/30/68/39/780306839.db2.gz CTKNIPHRPPGXBX-GRYCIOLGSA-N 2 2 323.397 -1.334 20 0 DAADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013400 780306846 /nfs/dbraw/zinc/30/68/46/780306846.db2.gz CTKNIPHRPPGXBX-GRYCIOLGSA-N 2 2 323.397 -1.334 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013400 780306851 /nfs/dbraw/zinc/30/68/51/780306851.db2.gz CTKNIPHRPPGXBX-GRYCIOLGSA-N 2 2 323.397 -1.334 20 0 DAADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013400 780306855 /nfs/dbraw/zinc/30/68/55/780306855.db2.gz CTKNIPHRPPGXBX-GRYCIOLGSA-N 2 2 323.397 -1.334 20 0 DAADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013401 780307988 /nfs/dbraw/zinc/30/79/88/780307988.db2.gz CTKNIPHRPPGXBX-IJLUTSLNSA-N 2 2 323.397 -1.334 20 0 DAADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013401 780307994 /nfs/dbraw/zinc/30/79/94/780307994.db2.gz CTKNIPHRPPGXBX-IJLUTSLNSA-N 2 2 323.397 -1.334 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013401 780307999 /nfs/dbraw/zinc/30/79/99/780307999.db2.gz CTKNIPHRPPGXBX-IJLUTSLNSA-N 2 2 323.397 -1.334 20 0 DAADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013401 780308004 /nfs/dbraw/zinc/30/80/04/780308004.db2.gz CTKNIPHRPPGXBX-IJLUTSLNSA-N 2 2 323.397 -1.334 20 0 DAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227798219 780344060 /nfs/dbraw/zinc/34/40/60/780344060.db2.gz UDSITNVDDTWGDN-ZDUSSCGKSA-N 2 2 322.413 -1.121 20 0 DAADLP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368819 780381886 /nfs/dbraw/zinc/38/18/86/780381886.db2.gz OMPUDKGSNXUSMN-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368819 780381898 /nfs/dbraw/zinc/38/18/98/780381898.db2.gz OMPUDKGSNXUSMN-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231368819 780381909 /nfs/dbraw/zinc/38/19/09/780381909.db2.gz OMPUDKGSNXUSMN-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP CN(C[C@@H]1CC[NH+]1CCOCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231368819 780381919 /nfs/dbraw/zinc/38/19/19/780381919.db2.gz OMPUDKGSNXUSMN-UONOGXRCSA-N 2 2 315.414 -1.141 20 0 DAADLP C[NH+](C)CCN1CC[N@H+](CC(N)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001277981993 780421082 /nfs/dbraw/zinc/42/10/82/780421082.db2.gz RLILHBUXOPBWRX-HNNXBMFYSA-N 2 2 311.430 -1.310 20 0 DAADLP C[NH+](C)CCN1CC[N@@H+](CC(N)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001277981993 780421087 /nfs/dbraw/zinc/42/10/87/780421087.db2.gz RLILHBUXOPBWRX-HNNXBMFYSA-N 2 2 311.430 -1.310 20 0 DAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278211325 780436834 /nfs/dbraw/zinc/43/68/34/780436834.db2.gz FRIAJZNMIOXBKT-ZJUUUORDSA-N 2 2 309.326 -2.245 20 0 DAADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001238839339 780439572 /nfs/dbraw/zinc/43/95/72/780439572.db2.gz PRJAHGZPXCXWGS-UHFFFAOYSA-N 2 2 314.367 -1.156 20 0 DAADLP COC(=O)CNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438488 780445249 /nfs/dbraw/zinc/44/52/49/780445249.db2.gz MHYQOUWRCMWFBY-UHFFFAOYSA-N 2 2 303.432 -1.882 20 0 DAADLP O[C@@H](C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246025437 780448378 /nfs/dbraw/zinc/44/83/78/780448378.db2.gz REFGIZYWAVIHTG-ILXRZTDVSA-N 3 2 312.458 -1.122 20 0 DAADLP O[C@@H](C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246025437 780448380 /nfs/dbraw/zinc/44/83/80/780448380.db2.gz REFGIZYWAVIHTG-ILXRZTDVSA-N 3 2 312.458 -1.122 20 0 DAADLP CCCOC[C@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050844 780449416 /nfs/dbraw/zinc/44/94/16/780449416.db2.gz GJILDIBUVHXHEX-CYBMUJFWSA-N 3 2 304.435 -1.110 20 0 DAADLP CCCOC[C@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246050844 780449419 /nfs/dbraw/zinc/44/94/19/780449419.db2.gz GJILDIBUVHXHEX-CYBMUJFWSA-N 3 2 304.435 -1.110 20 0 DAADLP COC(=O)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246101462 780449548 /nfs/dbraw/zinc/44/95/48/780449548.db2.gz PUEIOJKXONGLQT-GHMZBOCLSA-N 2 2 320.415 -2.286 20 0 DAADLP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246491591 780454146 /nfs/dbraw/zinc/45/41/46/780454146.db2.gz UHSQVBJASOUIJV-RYUDHWBXSA-N 2 2 321.443 -1.106 20 0 DAADLP CCOC(=O)[C@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246420929 780454563 /nfs/dbraw/zinc/45/45/63/780454563.db2.gz ZTJUCLAIEXOOPE-AXFHLTTASA-N 2 2 316.427 -1.270 20 0 DAADLP O=S1(=O)CCN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246822320 780457246 /nfs/dbraw/zinc/45/72/46/780457246.db2.gz YJVJOAHQYBRZIU-LBPRGKRZSA-N 2 2 314.455 -1.505 20 0 DAADLP COC(=O)C1(NC[C@H](O)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC001251043192 780464539 /nfs/dbraw/zinc/46/45/39/780464539.db2.gz MYONQNWHQYRSLW-ZDUSSCGKSA-N 2 2 315.414 -1.094 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1 ZINC001264584098 780587023 /nfs/dbraw/zinc/58/70/23/780587023.db2.gz KGNWQVBTJWDBOI-UHFFFAOYSA-N 2 2 306.326 -1.223 20 0 DAADLP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265076508 780591406 /nfs/dbraw/zinc/59/14/06/780591406.db2.gz XLFNEKKOTNMBJT-UHFFFAOYSA-N 2 2 310.358 -1.223 20 0 DAADLP CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265076508 780591412 /nfs/dbraw/zinc/59/14/12/780591412.db2.gz XLFNEKKOTNMBJT-UHFFFAOYSA-N 2 2 310.358 -1.223 20 0 DAADLP C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)N1CCC1 ZINC001265819650 780608178 /nfs/dbraw/zinc/60/81/78/780608178.db2.gz RSNJKUSJNWOMCM-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)CC(=O)N1CCC1 ZINC001265819650 780608182 /nfs/dbraw/zinc/60/81/82/780608182.db2.gz RSNJKUSJNWOMCM-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)N1CCC1 ZINC001265819650 780608185 /nfs/dbraw/zinc/60/81/85/780608185.db2.gz RSNJKUSJNWOMCM-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)N1CCC1 ZINC001265819650 780608189 /nfs/dbraw/zinc/60/81/89/780608189.db2.gz RSNJKUSJNWOMCM-CYBMUJFWSA-N 2 2 312.414 -1.013 20 0 DAADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN1C(=O)CNC1=O ZINC001266180345 780620404 /nfs/dbraw/zinc/62/04/04/780620404.db2.gz DUXIPUGUXZOVKH-SNVBAGLBSA-N 2 2 322.369 -1.012 20 0 DAADLP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001279745248 780626243 /nfs/dbraw/zinc/62/62/43/780626243.db2.gz BHRYOKYBFAHPJK-LBPRGKRZSA-N 2 2 323.397 -1.398 20 0 DAADLP CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001284447148 780817310 /nfs/dbraw/zinc/81/73/10/780817310.db2.gz RDMZEBMRDFNHKT-CYBMUJFWSA-N 2 2 323.397 -1.017 20 0 DAADLP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001284869829 780843081 /nfs/dbraw/zinc/84/30/81/780843081.db2.gz FYCRGEXVVPOVOV-LBPRGKRZSA-N 2 2 323.397 -1.005 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090848360 781357475 /nfs/dbraw/zinc/35/74/75/781357475.db2.gz FQVWWNHSYNOANN-QWHCGFSZSA-N 2 2 319.369 -1.274 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090848360 781357478 /nfs/dbraw/zinc/35/74/78/781357478.db2.gz FQVWWNHSYNOANN-QWHCGFSZSA-N 2 2 319.369 -1.274 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090848358 781358523 /nfs/dbraw/zinc/35/85/23/781358523.db2.gz FQVWWNHSYNOANN-CHWSQXEVSA-N 2 2 319.369 -1.274 20 0 DAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090848358 781358528 /nfs/dbraw/zinc/35/85/28/781358528.db2.gz FQVWWNHSYNOANN-CHWSQXEVSA-N 2 2 319.369 -1.274 20 0 DAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244910 781404989 /nfs/dbraw/zinc/40/49/89/781404989.db2.gz VRFKVTOMKWWAAU-JTQLQIEISA-N 2 2 324.385 -1.097 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001147907990 781460123 /nfs/dbraw/zinc/46/01/23/781460123.db2.gz NVDCKGDRHJHWJB-LBPRGKRZSA-N 2 2 323.397 -1.179 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001147871978 781460260 /nfs/dbraw/zinc/46/02/60/781460260.db2.gz VRYAXHSFGZVHKK-UHFFFAOYSA-N 2 2 322.369 -2.373 20 0 DAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001147907989 781461650 /nfs/dbraw/zinc/46/16/50/781461650.db2.gz NVDCKGDRHJHWJB-GFCCVEGCSA-N 2 2 323.397 -1.179 20 0 DAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001099899316 781484060 /nfs/dbraw/zinc/48/40/60/781484060.db2.gz QOEKQZJLGJACPH-WDEREUQCSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001099899316 781484067 /nfs/dbraw/zinc/48/40/67/781484067.db2.gz QOEKQZJLGJACPH-WDEREUQCSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099899316 781484075 /nfs/dbraw/zinc/48/40/75/781484075.db2.gz QOEKQZJLGJACPH-WDEREUQCSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099899316 781484078 /nfs/dbraw/zinc/48/40/78/781484078.db2.gz QOEKQZJLGJACPH-WDEREUQCSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001099899313 781484453 /nfs/dbraw/zinc/48/44/53/781484453.db2.gz QOEKQZJLGJACPH-GHMZBOCLSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001099899313 781484460 /nfs/dbraw/zinc/48/44/60/781484460.db2.gz QOEKQZJLGJACPH-GHMZBOCLSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099899313 781484465 /nfs/dbraw/zinc/48/44/65/781484465.db2.gz QOEKQZJLGJACPH-GHMZBOCLSA-N 2 2 300.403 -1.247 20 0 DAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099899313 781484470 /nfs/dbraw/zinc/48/44/70/781484470.db2.gz QOEKQZJLGJACPH-GHMZBOCLSA-N 2 2 300.403 -1.247 20 0 DAADLP O=C(NCc1cn(C2C[NH+](CCO)C2)nn1)C12CC[NH+](CC1)C2 ZINC001094336108 781542707 /nfs/dbraw/zinc/54/27/07/781542707.db2.gz XWXZPRWROZWGAZ-UHFFFAOYSA-N 2 2 320.397 -1.161 20 0 DAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713842 781552509 /nfs/dbraw/zinc/55/25/09/781552509.db2.gz JVOITRADMBXGNL-OCCSQVGLSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094713842 781552519 /nfs/dbraw/zinc/55/25/19/781552519.db2.gz JVOITRADMBXGNL-OCCSQVGLSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714510 781552702 /nfs/dbraw/zinc/55/27/02/781552702.db2.gz XVDHJPHAGYPVJS-WCQYABFASA-N 2 2 310.398 -1.526 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714510 781552703 /nfs/dbraw/zinc/55/27/03/781552703.db2.gz XVDHJPHAGYPVJS-WCQYABFASA-N 2 2 310.398 -1.526 20 0 DAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714509 781553454 /nfs/dbraw/zinc/55/34/54/781553454.db2.gz XVDHJPHAGYPVJS-DGCLKSJQSA-N 2 2 310.398 -1.526 20 0 DAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094714509 781553462 /nfs/dbraw/zinc/55/34/62/781553462.db2.gz XVDHJPHAGYPVJS-DGCLKSJQSA-N 2 2 310.398 -1.526 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC[N@@H+]1C ZINC001094738319 781564588 /nfs/dbraw/zinc/56/45/88/781564588.db2.gz JEDOQQKPIZPOSD-YRGRVCCFSA-N 2 2 324.425 -1.280 20 0 DAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CC[N@H+]1C ZINC001094738319 781564596 /nfs/dbraw/zinc/56/45/96/781564596.db2.gz JEDOQQKPIZPOSD-YRGRVCCFSA-N 2 2 324.425 -1.280 20 0 DAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751906 781568411 /nfs/dbraw/zinc/56/84/11/781568411.db2.gz ZECFIMHZTHWAHF-GXTWGEPZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094751906 781568416 /nfs/dbraw/zinc/56/84/16/781568416.db2.gz ZECFIMHZTHWAHF-GXTWGEPZSA-N 2 2 324.425 -1.136 20 0 DAADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782748 781576707 /nfs/dbraw/zinc/57/67/07/781576707.db2.gz DSNZUYBPTDZJFY-STQMWFEESA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782748 781576711 /nfs/dbraw/zinc/57/67/11/781576711.db2.gz DSNZUYBPTDZJFY-STQMWFEESA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782745 781576893 /nfs/dbraw/zinc/57/68/93/781576893.db2.gz DSNZUYBPTDZJFY-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782745 781576896 /nfs/dbraw/zinc/57/68/96/781576896.db2.gz DSNZUYBPTDZJFY-CHWSQXEVSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782746 781577268 /nfs/dbraw/zinc/57/72/68/781577268.db2.gz DSNZUYBPTDZJFY-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094782746 781577276 /nfs/dbraw/zinc/57/72/76/781577276.db2.gz DSNZUYBPTDZJFY-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094817797 781582180 /nfs/dbraw/zinc/58/21/80/781582180.db2.gz QPZWPTKAFUZEAU-GFCCVEGCSA-N 2 2 321.381 -1.415 20 0 DAADLP C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC2=O)C1 ZINC001094817534 781582240 /nfs/dbraw/zinc/58/22/40/781582240.db2.gz NLOGQBXEVSFKKQ-CHWSQXEVSA-N 2 2 324.425 -1.136 20 0 DAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809931 781584760 /nfs/dbraw/zinc/58/47/60/781584760.db2.gz RDUKIRFUWLCUCT-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094809931 781584766 /nfs/dbraw/zinc/58/47/66/781584766.db2.gz RDUKIRFUWLCUCT-OLZOCXBDSA-N 2 2 324.425 -1.278 20 0 DAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351429 781634076 /nfs/dbraw/zinc/63/40/76/781634076.db2.gz BBMCSBZRAGPSEO-UHFFFAOYSA-N 2 2 310.358 -1.046 20 0 DAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001177401034 781634190 /nfs/dbraw/zinc/63/41/90/781634190.db2.gz PLVHJZCTUDFGAB-UHFFFAOYSA-N 2 2 322.369 -2.063 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178414112 781645395 /nfs/dbraw/zinc/64/53/95/781645395.db2.gz FDSWUGVAAKLELD-IHRRRGAJSA-N 2 2 315.414 -1.095 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178414112 781645401 /nfs/dbraw/zinc/64/54/01/781645401.db2.gz FDSWUGVAAKLELD-IHRRRGAJSA-N 2 2 315.414 -1.095 20 0 DAADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178415048 781645888 /nfs/dbraw/zinc/64/58/88/781645888.db2.gz ZJKJWJRZKLKEGI-XDQVBPFNSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178415048 781645893 /nfs/dbraw/zinc/64/58/93/781645893.db2.gz ZJKJWJRZKLKEGI-XDQVBPFNSA-N 2 2 315.414 -1.097 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178415019 781646327 /nfs/dbraw/zinc/64/63/27/781646327.db2.gz YNYPDYZYCHTCDB-AVGNSLFASA-N 2 2 312.414 -1.016 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178415019 781646335 /nfs/dbraw/zinc/64/63/35/781646335.db2.gz YNYPDYZYCHTCDB-AVGNSLFASA-N 2 2 312.414 -1.016 20 0 DAADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178415049 781646592 /nfs/dbraw/zinc/64/65/92/781646592.db2.gz ZJKJWJRZKLKEGI-XUXIUFHCSA-N 2 2 315.414 -1.097 20 0 DAADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178415049 781646601 /nfs/dbraw/zinc/64/66/01/781646601.db2.gz ZJKJWJRZKLKEGI-XUXIUFHCSA-N 2 2 315.414 -1.097 20 0 DAADLP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001179929861 781665047 /nfs/dbraw/zinc/66/50/47/781665047.db2.gz YTVAQXAJKYNKFR-ONGXEEELSA-N 2 2 322.369 -1.264 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115475 781722543 /nfs/dbraw/zinc/72/25/43/781722543.db2.gz HTJCKEOXYYIHNF-SNVBAGLBSA-N 2 2 308.342 -1.272 20 0 DAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115475 781722546 /nfs/dbraw/zinc/72/25/46/781722546.db2.gz HTJCKEOXYYIHNF-SNVBAGLBSA-N 2 2 308.342 -1.272 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185266840 781757975 /nfs/dbraw/zinc/75/79/75/781757975.db2.gz HNMCBFBMOAOSMY-STQMWFEESA-N 2 2 323.397 -1.134 20 0 DAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185266840 781757981 /nfs/dbraw/zinc/75/79/81/781757981.db2.gz HNMCBFBMOAOSMY-STQMWFEESA-N 2 2 323.397 -1.134 20 0 DAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001185378133 781761447 /nfs/dbraw/zinc/76/14/47/781761447.db2.gz PFEURKWGHSSZAV-PWSUYJOCSA-N 2 2 322.369 -1.867 20 0 DAADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919641 781768563 /nfs/dbraw/zinc/76/85/63/781768563.db2.gz YCIYRHXJZRUJIB-SECBINFHSA-N 2 2 308.342 -1.402 20 0 DAADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001186116693 781774386 /nfs/dbraw/zinc/77/43/86/781774386.db2.gz LEHIMDRXSWDKSN-PDEGPIFNSA-N 2 2 312.374 -3.000 20 0 DAADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001186116693 781774390 /nfs/dbraw/zinc/77/43/90/781774390.db2.gz LEHIMDRXSWDKSN-PDEGPIFNSA-N 2 2 312.374 -3.000 20 0 DAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186221956 781775285 /nfs/dbraw/zinc/77/52/85/781775285.db2.gz RUPLAIOQQSMRCW-VHSXEESVSA-N 2 2 322.369 -1.026 20 0 DAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186221956 781775293 /nfs/dbraw/zinc/77/52/93/781775293.db2.gz RUPLAIOQQSMRCW-VHSXEESVSA-N 2 2 322.369 -1.026 20 0 DAADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576533 781780487 /nfs/dbraw/zinc/78/04/87/781780487.db2.gz UHMBYSTYOSBCNB-SNVBAGLBSA-N 2 2 315.399 -1.308 20 0 DAADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)NC(N)=O ZINC001186584255 781781321 /nfs/dbraw/zinc/78/13/21/781781321.db2.gz OGLUXDAPYTXIGS-RKDXNWHRSA-N 2 2 308.342 -1.274 20 0 DAADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(=O)NC(N)=O ZINC001187092583 781796398 /nfs/dbraw/zinc/79/63/98/781796398.db2.gz XNWGTTWDOPVTSK-VHSXEESVSA-N 2 2 322.369 -1.264 20 0 DAADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369058 781818055 /nfs/dbraw/zinc/81/80/55/781818055.db2.gz OEJOOXASIDYLCU-LLVKDONJSA-N 2 2 315.399 -1.377 20 0 DAADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369379 781818458 /nfs/dbraw/zinc/81/84/58/781818458.db2.gz XZZCEEOLAXIORS-LLVKDONJSA-N 2 2 322.369 -1.081 20 0 DAADLP CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515753 781844217 /nfs/dbraw/zinc/84/42/17/781844217.db2.gz BPYUBEJJUDOBSE-QWHCGFSZSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515753 781844223 /nfs/dbraw/zinc/84/42/23/781844223.db2.gz BPYUBEJJUDOBSE-QWHCGFSZSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515753 781844231 /nfs/dbraw/zinc/84/42/31/781844231.db2.gz BPYUBEJJUDOBSE-QWHCGFSZSA-N 2 2 312.414 -1.062 20 0 DAADLP CN(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515753 781844235 /nfs/dbraw/zinc/84/42/35/781844235.db2.gz BPYUBEJJUDOBSE-QWHCGFSZSA-N 2 2 312.414 -1.062 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191360919 781909849 /nfs/dbraw/zinc/90/98/49/781909849.db2.gz UOVPHWAZSNGMEW-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191360919 781909858 /nfs/dbraw/zinc/90/98/58/781909858.db2.gz UOVPHWAZSNGMEW-NSHDSACASA-N 2 2 322.369 -1.081 20 0 DAADLP