smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@@H](CCN)CCC[NH3+] 34770687 571686486 /nfs/dbraw/zinc/68/64/86/571686486.db2.gz FLSWKUIIWIMDKM-MRVPVSSYSA-N 2 3 159.277 0.004 10 0 ACAEHP CN(C)[C@@H](CC[NH3+])CCC[NH3+] 34770687 571686488 /nfs/dbraw/zinc/68/64/88/571686488.db2.gz FLSWKUIIWIMDKM-MRVPVSSYSA-N 2 3 159.277 0.004 10 0 ACAEHP CN1CC[C@H](CC[NH+](C)C)[C@@H](C[NH3+])C1 250559946 572481424 /nfs/dbraw/zinc/48/14/24/572481424.db2.gz CEPNAORENCIBMG-QWRGUYRKSA-N 2 3 199.342 0.465 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@H](CN)CC[N@@H+]1C 250575422 572481445 /nfs/dbraw/zinc/48/14/45/572481445.db2.gz FIPNIHSROXDZIG-WDEREUQCSA-N 2 3 199.342 0.607 10 0 ACAEHP C[NH+](C)CCCC[NH2+]C1CC(N)C1 87651836 572641369 /nfs/dbraw/zinc/64/13/69/572641369.db2.gz XTKKJWXOXPYPCP-UHFFFAOYSA-N 2 3 185.315 0.408 10 0 ACAEHP C[NH+](C)CCCCNC1CC([NH3+])C1 87651836 572641372 /nfs/dbraw/zinc/64/13/72/572641372.db2.gz XTKKJWXOXPYPCP-UHFFFAOYSA-N 2 3 185.315 0.408 10 0 ACAEHP [NH3+]CCCC[NH2+][C@@H]1CCNC12CCC2 1119630027 757798666 /nfs/dbraw/zinc/79/86/66/757798666.db2.gz CDOHTHHHYRQMDE-SNVBAGLBSA-N 2 3 197.326 0.600 10 0 ACAEHP [NH3+]CCCC[NH2+][C@H]1CCNC12CCC2 1119630023 757799751 /nfs/dbraw/zinc/79/97/51/757799751.db2.gz CDOHTHHHYRQMDE-JTQLQIEISA-N 2 3 197.326 0.600 10 0 ACAEHP CN1CCC[C@@H]([C@@H]([NH3+])C2CC([NH3+])C2)C1 259365542 573199160 /nfs/dbraw/zinc/19/91/60/573199160.db2.gz MNKXUKZVHOQIEY-AGVGLQIMSA-N 2 3 197.326 0.393 10 0 ACAEHP [NH3+][C@H](CNC1CCC1)C1CC[NH2+]CC1 257980382 573256994 /nfs/dbraw/zinc/25/69/94/573256994.db2.gz CLZCOOBTHTWQNE-LLVKDONJSA-N 2 3 197.326 0.455 10 0 ACAEHP CC[N@@H+]1CC[C@H]([C@@H](CN)C[NH2+]C)C1 258298597 573359110 /nfs/dbraw/zinc/35/91/10/573359110.db2.gz WJCCVVFXTGMJDK-UWVGGRQHSA-N 2 3 185.315 0.123 10 0 ACAEHP CC[N@H+]1CC[C@H]([C@@H](CN)C[NH2+]C)C1 258298597 573359113 /nfs/dbraw/zinc/35/91/13/573359113.db2.gz WJCCVVFXTGMJDK-UWVGGRQHSA-N 2 3 185.315 0.123 10 0 ACAEHP CN[C@@H](C[NH2+]C)C1CC[NH+](C)CC1 259427457 573364421 /nfs/dbraw/zinc/36/44/21/573364421.db2.gz MYVUUAFLOYFDCL-JTQLQIEISA-N 2 3 185.315 0.136 10 0 ACAEHP C[C@H]([NH3+])CC[C@@H]([NH3+])[C@H]1CCCN(C)C1 259427537 573365586 /nfs/dbraw/zinc/36/55/86/573365586.db2.gz PFVYPVMOZCMADL-GARJFASQSA-N 2 3 199.342 0.783 10 0 ACAEHP CC(C)[N@@H+]1CC[C@H](C(CN)C[NH3+])C1 258316847 573365892 /nfs/dbraw/zinc/36/58/92/573365892.db2.gz XMAHHTCYVDCMGW-VIFPVBQESA-N 2 3 185.315 0.250 10 0 ACAEHP CC(C)[N@H+]1CC[C@H](C(CN)C[NH3+])C1 258316847 573365896 /nfs/dbraw/zinc/36/58/96/573365896.db2.gz XMAHHTCYVDCMGW-VIFPVBQESA-N 2 3 185.315 0.250 10 0 ACAEHP C[NH2+]CCC[C@@H]([NH3+])[C@@H]1CCN(C)C1 259438206 573395603 /nfs/dbraw/zinc/39/56/03/573395603.db2.gz PWOBWLUSDVDLFV-NXEZZACHSA-N 2 3 185.315 0.265 10 0 ACAEHP N[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 86400269 573403462 /nfs/dbraw/zinc/40/34/62/573403462.db2.gz FQAPTIFQYFLHMW-DJRKXVOMSA-N 2 3 197.326 0.726 10 0 ACAEHP N[C@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 86400266 573405126 /nfs/dbraw/zinc/40/51/26/573405126.db2.gz FQAPTIFQYFLHMW-YIYTYNFBSA-N 2 3 197.326 0.726 10 0 ACAEHP C[NH+]1CCC([C@H]([NH3+])CNC2CC2)CC1 258022014 573440629 /nfs/dbraw/zinc/44/06/29/573440629.db2.gz FYZQGTSRBCMXBR-LLVKDONJSA-N 2 3 197.326 0.408 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])C(C)(C)CC[NH3+])C1 259103110 573443304 /nfs/dbraw/zinc/44/33/04/573443304.db2.gz BCBWZLDPCUJUDZ-UWVGGRQHSA-N 2 3 199.342 0.640 10 0 ACAEHP [NH3+]C1CCC(C[NH2+][C@@H]2CCNC2)CC1 257817227 573454818 /nfs/dbraw/zinc/45/48/18/573454818.db2.gz DRWWGIAXVXQXIL-VQXHTEKXSA-N 2 3 197.326 0.455 10 0 ACAEHP C[NH+](C)[C@H](CCN)CCC[NH3+] 34770686 571717000 /nfs/dbraw/zinc/71/70/00/571717000.db2.gz FLSWKUIIWIMDKM-QMMMGPOBSA-N 2 3 159.277 0.004 10 0 ACAEHP CN(C)[C@H](CC[NH3+])CCC[NH3+] 34770686 571717002 /nfs/dbraw/zinc/71/70/02/571717002.db2.gz FLSWKUIIWIMDKM-QMMMGPOBSA-N 2 3 159.277 0.004 10 0 ACAEHP CN1CC[C@@H]([C@@H]([NH3+])C2CC[NH2+]CC2)C1 259472580 573493025 /nfs/dbraw/zinc/49/30/25/573493025.db2.gz RWHQZSRNCSQAIL-MNOVXSKESA-N 2 3 197.326 0.265 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])C2CC[NH2+]CC2)C1 259472584 573493885 /nfs/dbraw/zinc/49/38/85/573493885.db2.gz RWHQZSRNCSQAIL-WDEREUQCSA-N 2 3 197.326 0.265 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@H](CN)CC[N@H+]1C 250575422 572481451 /nfs/dbraw/zinc/48/14/51/572481451.db2.gz FIPNIHSROXDZIG-WDEREUQCSA-N 2 3 199.342 0.607 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@H](CC[NH3+])C[N@@H+]2C 250665251 572524526 /nfs/dbraw/zinc/52/45/26/572524526.db2.gz ZPFWYZBPUDEQRL-GMTAPVOTSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@H](CC[NH3+])C[N@H+]2C 250665251 572524529 /nfs/dbraw/zinc/52/45/29/572524529.db2.gz ZPFWYZBPUDEQRL-GMTAPVOTSA-N 2 3 197.326 0.217 10 0 ACAEHP [NH3+]CCCCNC[C@H]1CCCC[NH2+]1 236209536 572760288 /nfs/dbraw/zinc/76/02/88/572760288.db2.gz HDMAFVUUEBBJIE-SNVBAGLBSA-N 2 3 185.315 0.457 10 0 ACAEHP [NH3+]CCCCNC[C@@H]1CCCC[NH2+]1 236209287 572760378 /nfs/dbraw/zinc/76/03/78/572760378.db2.gz HDMAFVUUEBBJIE-JTQLQIEISA-N 2 3 185.315 0.457 10 0 ACAEHP CC(C)C[NH+]1CCC(CN)(C[NH3+])CC1 259324906 573091287 /nfs/dbraw/zinc/09/12/87/573091287.db2.gz MYXLROGPJQUJPG-UHFFFAOYSA-N 2 3 199.342 0.642 10 0 ACAEHP C[N@@H+]1CC[C@H]([C@@H](CN)C[NH2+]C2CC2)C1 257952086 573135217 /nfs/dbraw/zinc/13/52/17/573135217.db2.gz AORGWBRAQBFFBQ-UWVGGRQHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@H]([C@@H](CN)C[NH2+]C2CC2)C1 257952086 573135224 /nfs/dbraw/zinc/13/52/24/573135224.db2.gz AORGWBRAQBFFBQ-UWVGGRQHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@@H+]1CC[C@H]([C@@H](C[NH3+])CNC2CC2)C1 257952086 573135229 /nfs/dbraw/zinc/13/52/29/573135229.db2.gz AORGWBRAQBFFBQ-UWVGGRQHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@H]([C@@H](C[NH3+])CNC2CC2)C1 257952086 573135234 /nfs/dbraw/zinc/13/52/34/573135234.db2.gz AORGWBRAQBFFBQ-UWVGGRQHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[C@H](CC[NH3+])[C@@H]([NH3+])[C@H]1CCCN(C)C1 259377117 573215045 /nfs/dbraw/zinc/21/50/45/573215045.db2.gz MZZQEPNFSULUCC-OUAUKWLOSA-N 2 3 199.342 0.640 10 0 ACAEHP C[C@H](CC[NH3+])[C@H]([NH3+])[C@@H]1CCCN(C)C1 259377113 573217463 /nfs/dbraw/zinc/21/74/63/573217463.db2.gz MZZQEPNFSULUCC-MXWKQRLJSA-N 2 3 199.342 0.640 10 0 ACAEHP N[C@H](C[NH+]1CCCC1)C1CC[NH2+]CC1 257983549 573250257 /nfs/dbraw/zinc/25/02/57/573250257.db2.gz CTNZIZWWTLSZJH-LLVKDONJSA-N 2 3 197.326 0.409 10 0 ACAEHP N[C@@H](C[NH+]1CCCC1)C1CC[NH2+]CC1 257983552 573250663 /nfs/dbraw/zinc/25/06/63/573250663.db2.gz CTNZIZWWTLSZJH-NSHDSACASA-N 2 3 197.326 0.409 10 0 ACAEHP [NH3+][C@@H](CNC1CCC1)C1CC[NH2+]CC1 257980387 573258511 /nfs/dbraw/zinc/25/85/11/573258511.db2.gz CLZCOOBTHTWQNE-NSHDSACASA-N 2 3 197.326 0.455 10 0 ACAEHP CC[NH+]1CCC([C@H](CN)C[NH2+]C)CC1 258278537 573290273 /nfs/dbraw/zinc/29/02/73/573290273.db2.gz VBUHXACDQMANIX-LLVKDONJSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@H]([NH3+])CC[C@@H]([NH3+])[C@@H]1CCCN(C)C1 259427540 573361171 /nfs/dbraw/zinc/36/11/71/573361171.db2.gz PFVYPVMOZCMADL-HBNTYKKESA-N 2 3 199.342 0.783 10 0 ACAEHP CC(C)[NH+]1CCC(C(CN)C[NH3+])CC1 258336374 573417853 /nfs/dbraw/zinc/41/78/53/573417853.db2.gz YWPJKNSMYPGRMI-UHFFFAOYSA-N 2 3 199.342 0.640 10 0 ACAEHP CN1CC[C@@H]([C@H]([NH3+])C(C)(C)CC[NH3+])C1 259103119 573445044 /nfs/dbraw/zinc/44/50/44/573445044.db2.gz BCBWZLDPCUJUDZ-ZJUUUORDSA-N 2 3 199.342 0.640 10 0 ACAEHP CN(C)C[C@@H](C[NH3+])C1CC[NH+](C)CC1 258352582 573453803 /nfs/dbraw/zinc/45/38/03/573453803.db2.gz ZZKLCUFQJMIVHT-LLVKDONJSA-N 2 3 199.342 0.465 10 0 ACAEHP C[NH2+]C[C@@H](CN)C1CC[NH+](C)CC1 258035414 573467483 /nfs/dbraw/zinc/46/74/83/573467483.db2.gz GRXNNRNLVGYJJI-SNVBAGLBSA-N 2 3 185.315 0.123 10 0 ACAEHP C[C@@H]([NH2+]CCCC[NH+](C)C)C1CNC1 686246208 573521952 /nfs/dbraw/zinc/52/19/52/573521952.db2.gz BVRYMGKSJCAWSR-SNVBAGLBSA-N 2 3 199.342 0.526 10 0 ACAEHP C[C@@H](N)CC[NH2+]CC1CC[NH+](C)CC1 258741868 573523875 /nfs/dbraw/zinc/52/38/75/573523875.db2.gz LDCOICIJOFKMED-SNVBAGLBSA-N 2 3 199.342 0.655 10 0 ACAEHP C[C@H](N)CC[NH2+]CC1CC[NH+](C)CC1 258741866 573527045 /nfs/dbraw/zinc/52/70/45/573527045.db2.gz LDCOICIJOFKMED-JTQLQIEISA-N 2 3 199.342 0.655 10 0 ACAEHP C[NH+]1CCC([C@H]([NH3+])C2(CN)CC2)CC1 259506928 573556081 /nfs/dbraw/zinc/55/60/81/573556081.db2.gz RHPSHCCXFONSNB-JTQLQIEISA-N 2 3 197.326 0.394 10 0 ACAEHP C[NH+]1CCC(C[NH2+][C@@H]2CCNC2)CC1 86729490 573597480 /nfs/dbraw/zinc/59/74/80/573597480.db2.gz VZSZFCWIMFEJPZ-LLVKDONJSA-N 2 3 197.326 0.280 10 0 ACAEHP C[N@@H+]1CC[C@H](CC[NH2+]CCCN)C1 258825675 573636434 /nfs/dbraw/zinc/63/64/34/573636434.db2.gz USABWHZEHKINEE-JTQLQIEISA-N 2 3 185.315 0.267 10 0 ACAEHP C[N@H+]1CC[C@H](CC[NH2+]CCCN)C1 258825675 573636438 /nfs/dbraw/zinc/63/64/38/573636438.db2.gz USABWHZEHKINEE-JTQLQIEISA-N 2 3 185.315 0.267 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H](CN)[C@@]12CC[N@H+](C)C2 107781682 573643198 /nfs/dbraw/zinc/64/31/98/573643198.db2.gz RSPRKEXTMBSUKS-OUAUKWLOSA-N 2 3 197.326 0.123 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H](CN)[C@@]12CC[N@@H+](C)C2 107781682 573643204 /nfs/dbraw/zinc/64/32/04/573643204.db2.gz RSPRKEXTMBSUKS-OUAUKWLOSA-N 2 3 197.326 0.123 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@@H](CN)[C@@]12CC[N@H+](C)C2 107781687 573647553 /nfs/dbraw/zinc/64/75/53/573647553.db2.gz RSPRKEXTMBSUKS-GMTAPVOTSA-N 2 3 197.326 0.123 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@@H](CN)[C@@]12CC[N@@H+](C)C2 107781687 573647561 /nfs/dbraw/zinc/64/75/61/573647561.db2.gz RSPRKEXTMBSUKS-GMTAPVOTSA-N 2 3 197.326 0.123 10 0 ACAEHP C1C[NH2+]CC[C@@H](C[NH2+][C@H]2CCNC2)C1 257840816 573647688 /nfs/dbraw/zinc/64/76/88/573647688.db2.gz MCCDSWXEMYTWFA-QWRGUYRKSA-N 2 3 197.326 0.328 10 0 ACAEHP CN1CCC2(CC[NH2+]CC2)[C@H](C[NH3+])C1 107782478 573648883 /nfs/dbraw/zinc/64/88/83/573648883.db2.gz OXABUUWYSGWXHH-SNVBAGLBSA-N 2 3 197.326 0.267 10 0 ACAEHP C[C@@H](CN)[C@@H]([NH3+])C1CC[NH+](C)CC1 259539631 573648951 /nfs/dbraw/zinc/64/89/51/573648951.db2.gz WXBAXGMHUIBOAT-WCBMZHEXSA-N 2 3 185.315 0.250 10 0 ACAEHP C[N@H+](CCCN)C[C@@H]1CC[C@H]([NH3+])C1 308656861 573649212 /nfs/dbraw/zinc/64/92/12/573649212.db2.gz OLKUKFNTVRWXIS-ZJUUUORDSA-N 2 3 185.315 0.394 10 0 ACAEHP C[N@@H+](CCCN)C[C@@H]1CC[C@H]([NH3+])C1 308656861 573649218 /nfs/dbraw/zinc/64/92/18/573649218.db2.gz OLKUKFNTVRWXIS-ZJUUUORDSA-N 2 3 185.315 0.394 10 0 ACAEHP CN(CCC[NH3+])C[C@@H]1CC[C@H]([NH3+])C1 308656861 573649223 /nfs/dbraw/zinc/64/92/23/573649223.db2.gz OLKUKFNTVRWXIS-ZJUUUORDSA-N 2 3 185.315 0.394 10 0 ACAEHP C[N@H+](CCCN)C[C@H]1CC[C@H]([NH3+])C1 308656858 573651491 /nfs/dbraw/zinc/65/14/91/573651491.db2.gz OLKUKFNTVRWXIS-UWVGGRQHSA-N 2 3 185.315 0.394 10 0 ACAEHP C[N@@H+](CCCN)C[C@H]1CC[C@H]([NH3+])C1 308656858 573651494 /nfs/dbraw/zinc/65/14/94/573651494.db2.gz OLKUKFNTVRWXIS-UWVGGRQHSA-N 2 3 185.315 0.394 10 0 ACAEHP CN(CCC[NH3+])C[C@H]1CC[C@H]([NH3+])C1 308656858 573651500 /nfs/dbraw/zinc/65/15/00/573651500.db2.gz OLKUKFNTVRWXIS-UWVGGRQHSA-N 2 3 185.315 0.394 10 0 ACAEHP C1C[NH2+]CC[C@H](C[NH2+][C@@H]2CCNC2)C1 257840814 573651752 /nfs/dbraw/zinc/65/17/52/573651752.db2.gz MCCDSWXEMYTWFA-GHMZBOCLSA-N 2 3 197.326 0.328 10 0 ACAEHP C[N@H+](CCCN)C[C@@H]1CC[C@@H]([NH3+])C1 308656856 573651792 /nfs/dbraw/zinc/65/17/92/573651792.db2.gz OLKUKFNTVRWXIS-NXEZZACHSA-N 2 3 185.315 0.394 10 0 ACAEHP C[N@@H+](CCCN)C[C@@H]1CC[C@@H]([NH3+])C1 308656856 573651800 /nfs/dbraw/zinc/65/18/00/573651800.db2.gz OLKUKFNTVRWXIS-NXEZZACHSA-N 2 3 185.315 0.394 10 0 ACAEHP CN(CCC[NH3+])C[C@@H]1CC[C@@H]([NH3+])C1 308656856 573651804 /nfs/dbraw/zinc/65/18/04/573651804.db2.gz OLKUKFNTVRWXIS-NXEZZACHSA-N 2 3 185.315 0.394 10 0 ACAEHP CC[NH+]1CCC([C@H]([NH3+])CNC)CC1 258085075 573691087 /nfs/dbraw/zinc/69/10/87/573691087.db2.gz JKDVCFAGSWOVAE-SNVBAGLBSA-N 2 3 185.315 0.265 10 0 ACAEHP CNCC[C@@H]([NH2+]C)C1CC[NH+](C)CC1 259171853 573696231 /nfs/dbraw/zinc/69/62/31/573696231.db2.gz CJIKTYSUKJVBNE-LLVKDONJSA-N 2 3 199.342 0.526 10 0 ACAEHP [NH3+][C@H]1CC[C@H](C[NH2+]C2CCNCC2)C1 257870241 573760222 /nfs/dbraw/zinc/76/02/22/573760222.db2.gz SUMFTYPBYBPEKW-UWVGGRQHSA-N 2 3 197.326 0.455 10 0 ACAEHP C[C@H]([NH3+])CC[C@@H]([NH3+])[C@H]1CCN(C)C1 259566492 573767808 /nfs/dbraw/zinc/76/78/08/573767808.db2.gz YIIVYBRALYKSBR-LPEHRKFASA-N 2 3 185.315 0.393 10 0 ACAEHP CC[N@@H+]1CC[C@@H]([C@H](C[NH3+])CN(C)C)C1 258125035 573767898 /nfs/dbraw/zinc/76/78/98/573767898.db2.gz LNVMKYWAACYBKW-GHMZBOCLSA-N 2 3 199.342 0.465 10 0 ACAEHP CC[N@H+]1CC[C@@H]([C@H](C[NH3+])CN(C)C)C1 258125035 573767903 /nfs/dbraw/zinc/76/79/03/573767903.db2.gz LNVMKYWAACYBKW-GHMZBOCLSA-N 2 3 199.342 0.465 10 0 ACAEHP CC[N@@H+]1CC[C@@H]([C@@H](C[NH3+])CN(C)C)C1 258125037 573770212 /nfs/dbraw/zinc/77/02/12/573770212.db2.gz LNVMKYWAACYBKW-MNOVXSKESA-N 2 3 199.342 0.465 10 0 ACAEHP CC[N@H+]1CC[C@@H]([C@@H](C[NH3+])CN(C)C)C1 258125037 573770219 /nfs/dbraw/zinc/77/02/19/573770219.db2.gz LNVMKYWAACYBKW-MNOVXSKESA-N 2 3 199.342 0.465 10 0 ACAEHP C1CC[NH2+]CCCC[NH2+]CCCNC1 238104715 573792366 /nfs/dbraw/zinc/79/23/66/573792366.db2.gz KBLKBVYVNAGFBV-UHFFFAOYSA-N 2 3 199.342 0.719 10 0 ACAEHP CC[NH+]1CCC(C(CN)C[NH3+])CC1 258158401 573845852 /nfs/dbraw/zinc/84/58/52/573845852.db2.gz NKIUCCGEKXOIBX-UHFFFAOYSA-N 2 3 185.315 0.252 10 0 ACAEHP CC[C@H](C)[NH+]1CCC(CN)(C[NH3+])CC1 259219022 573883644 /nfs/dbraw/zinc/88/36/44/573883644.db2.gz GRKWYDMRQPXLIT-JTQLQIEISA-N 2 3 199.342 0.785 10 0 ACAEHP CN1CC[C@@H]([C@@H]([NH3+])CC(C)(C)C[NH3+])C1 259581077 573911523 /nfs/dbraw/zinc/91/15/23/573911523.db2.gz ZEGTXMVQRIGQQD-ZJUUUORDSA-N 2 3 199.342 0.640 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])CC(C)(C)C[NH3+])C1 259581073 573911221 /nfs/dbraw/zinc/91/12/21/573911221.db2.gz ZEGTXMVQRIGQQD-VHSXEESVSA-N 2 3 199.342 0.640 10 0 ACAEHP CN1CC[C@@H]([C@@H]([NH3+])CCC(C)(C)[NH3+])C1 259235991 573913541 /nfs/dbraw/zinc/91/35/41/573913541.db2.gz HLIDZKNVKNSOMV-ZJUUUORDSA-N 2 3 199.342 0.783 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])CCC(C)(C)[NH3+])C1 259235988 573917285 /nfs/dbraw/zinc/91/72/85/573917285.db2.gz HLIDZKNVKNSOMV-VHSXEESVSA-N 2 3 199.342 0.783 10 0 ACAEHP C[N@@H+]1CC[C@@H](CC[NH2+]CC2CNC2)C1 259010677 573922798 /nfs/dbraw/zinc/92/27/98/573922798.db2.gz XPGQCXADNQTVGM-SNVBAGLBSA-N 2 3 197.326 0.137 10 0 ACAEHP C[N@H+]1CC[C@@H](CC[NH2+]CC2CNC2)C1 259010677 573922802 /nfs/dbraw/zinc/92/28/02/573922802.db2.gz XPGQCXADNQTVGM-SNVBAGLBSA-N 2 3 197.326 0.137 10 0 ACAEHP C[NH2+]C(C)(C)CNC1CCC([NH3+])CC1 308469567 573942623 /nfs/dbraw/zinc/94/26/23/573942623.db2.gz BGFNEZPRQSZNFC-UHFFFAOYSA-N 2 3 199.342 0.844 10 0 ACAEHP CC[NH+]1CCC(CN)(C[NH3+])CC1 259250799 573957676 /nfs/dbraw/zinc/95/76/76/573957676.db2.gz INELUFGPXZYZDA-UHFFFAOYSA-N 2 3 171.288 0.006 10 0 ACAEHP CC[C@@H](CN)[C@@H]([NH3+])C1CC[NH+](C)CC1 259264131 573994836 /nfs/dbraw/zinc/99/48/36/573994836.db2.gz GXBDEBPRPIGQRR-GXSJLCMTSA-N 2 3 199.342 0.640 10 0 ACAEHP C[NH+](C)CCCC[N@@H+]1CC[C@H](CN)C1 45707299 574000680 /nfs/dbraw/zinc/00/06/80/574000680.db2.gz VNNGHYVUMKQTPX-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+](C)CCCC[N@H+]1CC[C@H](CN)C1 45707299 574000684 /nfs/dbraw/zinc/00/06/84/574000684.db2.gz VNNGHYVUMKQTPX-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP CN1CCC[C@H]([C@H]([NH3+])CCC[NH3+])C1 259294242 574038484 /nfs/dbraw/zinc/03/84/84/574038484.db2.gz JWFGQCBCHPLEFA-VHSXEESVSA-N 2 3 185.315 0.394 10 0 ACAEHP CN1CCC[C@@H]([C@@H]([NH3+])CCC[NH3+])C1 259294245 574038873 /nfs/dbraw/zinc/03/88/73/574038873.db2.gz JWFGQCBCHPLEFA-ZJUUUORDSA-N 2 3 185.315 0.394 10 0 ACAEHP CN1CCC[C@@H]([C@H]([NH3+])CCC[NH3+])C1 259294234 574039024 /nfs/dbraw/zinc/03/90/24/574039024.db2.gz JWFGQCBCHPLEFA-NXEZZACHSA-N 2 3 185.315 0.394 10 0 ACAEHP N[C@H]1CC[NH2+][C@H](C2CC[NH2+]CC2)C1 757217823 673917284 /nfs/dbraw/zinc/91/72/84/673917284.db2.gz STJCPHRQLVRKRH-UWVGGRQHSA-N 2 3 183.299 0.065 10 0 ACAEHP N[C@@H]1CC[NH2+][C@H](C2CC[NH2+]CC2)C1 757217825 673917541 /nfs/dbraw/zinc/91/75/41/673917541.db2.gz STJCPHRQLVRKRH-ZJUUUORDSA-N 2 3 183.299 0.065 10 0 ACAEHP N[C@H]1CC[NH2+][C@@H](C2CC[NH2+]CC2)C1 757217824 673917612 /nfs/dbraw/zinc/91/76/12/673917612.db2.gz STJCPHRQLVRKRH-VHSXEESVSA-N 2 3 183.299 0.065 10 0 ACAEHP N[C@@H]1CC[NH2+][C@@H](C2CC[NH2+]CC2)C1 757217822 673917672 /nfs/dbraw/zinc/91/76/72/673917672.db2.gz STJCPHRQLVRKRH-NXEZZACHSA-N 2 3 183.299 0.065 10 0 ACAEHP NC1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 307283636 673918598 /nfs/dbraw/zinc/91/85/98/673918598.db2.gz IKEPJTQLIPPKHW-GXSJLCMTSA-N 2 3 197.326 0.537 10 0 ACAEHP [NH3+]C1CCN(C[C@H]2CC[C@@H]([NH3+])C2)CC1 307283636 673918601 /nfs/dbraw/zinc/91/86/01/673918601.db2.gz IKEPJTQLIPPKHW-GXSJLCMTSA-N 2 3 197.326 0.537 10 0 ACAEHP C[C@H]1CC[C@@H](NCCCC[NH3+])C[NH2+]1 399022994 1169670093 /nfs/dbraw/zinc/67/00/93/1169670093.db2.gz IAOGJEBIOZBVCL-VHSXEESVSA-N 2 3 185.315 0.455 10 0 ACAEHP C[C@@H]1CC[C@@H](NCCCC[NH3+])C[NH2+]1 399022992 1169671011 /nfs/dbraw/zinc/67/10/11/1169671011.db2.gz IAOGJEBIOZBVCL-NXEZZACHSA-N 2 3 185.315 0.455 10 0 ACAEHP C[C@H]1CC[C@H](NCCCC[NH3+])C[NH2+]1 399022993 1169671111 /nfs/dbraw/zinc/67/11/11/1169671111.db2.gz IAOGJEBIOZBVCL-UWVGGRQHSA-N 2 3 185.315 0.455 10 0 ACAEHP C[C@@H]1CC[C@H](NCCCC[NH3+])C[NH2+]1 399022995 1169672409 /nfs/dbraw/zinc/67/24/09/1169672409.db2.gz IAOGJEBIOZBVCL-ZJUUUORDSA-N 2 3 185.315 0.455 10 0 ACAEHP C[C@H]([NH2+]CCCN)C1CC[NH2+]CC1 400440078 1169674692 /nfs/dbraw/zinc/67/46/92/1169674692.db2.gz DUVSAYVOQUOZRM-VIFPVBQESA-N 2 3 185.315 0.313 10 0 ACAEHP C[C@@H]([NH2+]CCCN)C1CC[NH2+]CC1 400440076 1169675178 /nfs/dbraw/zinc/67/51/78/1169675178.db2.gz DUVSAYVOQUOZRM-SECBINFHSA-N 2 3 185.315 0.313 10 0 ACAEHP C[C@H]1C[NH2+]C[C@H](NCCCC[NH3+])C1 401794673 1169678087 /nfs/dbraw/zinc/67/80/87/1169678087.db2.gz DTYSEEZMDXWRPB-NXEZZACHSA-N 2 3 185.315 0.313 10 0 ACAEHP C[C@H]1C[NH2+]C[C@@H](NCCCC[NH3+])C1 401794680 1169678541 /nfs/dbraw/zinc/67/85/41/1169678541.db2.gz DTYSEEZMDXWRPB-ZJUUUORDSA-N 2 3 185.315 0.313 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H](NCCCC[NH3+])C1 401794678 1169678611 /nfs/dbraw/zinc/67/86/11/1169678611.db2.gz DTYSEEZMDXWRPB-VHSXEESVSA-N 2 3 185.315 0.313 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@@H](NCCCC[NH3+])C1 401794677 1169679286 /nfs/dbraw/zinc/67/92/86/1169679286.db2.gz DTYSEEZMDXWRPB-UWVGGRQHSA-N 2 3 185.315 0.313 10 0 ACAEHP C[NH+](C)CCCN1CCC(C[NH3+])CC1 106877345 571705784 /nfs/dbraw/zinc/70/57/84/571705784.db2.gz ZRVVTNGDCVOLBG-UHFFFAOYSA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+]1CCC(CC[NH2+]CCCN)CC1 125131902 571712139 /nfs/dbraw/zinc/71/21/39/571712139.db2.gz BRSAQPGNIYDCJQ-UHFFFAOYSA-N 2 3 199.342 0.657 10 0 ACAEHP CNCCC[NH2+]CCCC[NH2+]C 13605739 571746846 /nfs/dbraw/zinc/74/68/46/571746846.db2.gz MEOVMDTVHZCLLP-UHFFFAOYSA-N 2 3 173.304 0.185 10 0 ACAEHP C[C@H]([NH3+])CC[C@@H](C)[NH2+]CCCN 142216162 571770137 /nfs/dbraw/zinc/77/01/37/571770137.db2.gz DWSORIKZOIATST-DTWKUNHWSA-N 2 3 173.304 0.441 10 0 ACAEHP NC12CC3CC([NH3+])(C1)CC([NH3+])(C3)C2 38457981 571849094 /nfs/dbraw/zinc/84/90/94/571849094.db2.gz XEFLEBQHEJYPMD-UHFFFAOYSA-N 2 3 181.283 0.077 10 0 ACAEHP CC1(C)CNCC[C@@H]1[NH2+]CCCC[NH3+] 300821755 571962030 /nfs/dbraw/zinc/96/20/30/571962030.db2.gz IUBWZDOSYNTXPS-JTQLQIEISA-N 2 3 199.342 0.703 10 0 ACAEHP CCC[NH2+]CCCNCCCC[NH3+] 13522148 571984294 /nfs/dbraw/zinc/98/42/94/571984294.db2.gz RHIPJLRZVLOPIQ-UHFFFAOYSA-N 2 3 187.331 0.705 10 0 ACAEHP CCCNCCC[NH2+]CCCC[NH3+] 13522148 571984296 /nfs/dbraw/zinc/98/42/96/571984296.db2.gz RHIPJLRZVLOPIQ-UHFFFAOYSA-N 2 3 187.331 0.705 10 0 ACAEHP CN(CCCC[NH3+])CCC[NH+](C)C 34568123 572095852 /nfs/dbraw/zinc/09/58/52/572095852.db2.gz CTBWOGLBAWLSFJ-UHFFFAOYSA-N 2 3 187.331 0.609 10 0 ACAEHP CC(C)(CCN)[NH2+]CCCC[NH3+] 113623503 572170035 /nfs/dbraw/zinc/17/00/35/572170035.db2.gz CANJHEUPXWWQIR-UHFFFAOYSA-N 2 3 173.304 0.442 10 0 ACAEHP CC(C)([NH3+])CCC[NH2+]CCCN 113622221 572169226 /nfs/dbraw/zinc/16/92/26/572169226.db2.gz GVWIXFWUDXZXAI-UHFFFAOYSA-N 2 3 173.304 0.442 10 0 ACAEHP CC(C)(N)CC[NH2+]CCCC[NH3+] 113625126 572175377 /nfs/dbraw/zinc/17/53/77/572175377.db2.gz XDAXUDLKXZRNQX-UHFFFAOYSA-N 2 3 173.304 0.442 10 0 ACAEHP [NH3+]CCCCC[N@@H+]1CCCNCC1 83119273 572187978 /nfs/dbraw/zinc/18/79/78/572187978.db2.gz HHLVCGSBQHHPKA-UHFFFAOYSA-N 2 3 185.315 0.411 10 0 ACAEHP [NH3+]CCCCC[N@H+]1CCCNCC1 83119273 572187980 /nfs/dbraw/zinc/18/79/80/572187980.db2.gz HHLVCGSBQHHPKA-UHFFFAOYSA-N 2 3 185.315 0.411 10 0 ACAEHP C[C@@H](CCN(C)C)[N@@H+]1CC[C@H](C[NH3+])C1 49557931 572249331 /nfs/dbraw/zinc/24/93/31/572249331.db2.gz AGXBZVSFKXYMQV-WDEREUQCSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@@H](CCN(C)C)[N@H+]1CC[C@H](C[NH3+])C1 49557931 572249334 /nfs/dbraw/zinc/24/93/34/572249334.db2.gz AGXBZVSFKXYMQV-WDEREUQCSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@H](CCN(C)C)[N@@H+]1CC[C@H](C[NH3+])C1 49557932 572250062 /nfs/dbraw/zinc/25/00/62/572250062.db2.gz AGXBZVSFKXYMQV-GHMZBOCLSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@H](CCN(C)C)[N@H+]1CC[C@H](C[NH3+])C1 49557932 572250064 /nfs/dbraw/zinc/25/00/64/572250064.db2.gz AGXBZVSFKXYMQV-GHMZBOCLSA-N 2 3 199.342 0.607 10 0 ACAEHP CN1CC[C@@H]([NH3+])[C@H](CCC[NH+](C)C)C1 74214378 572446514 /nfs/dbraw/zinc/44/65/14/572446514.db2.gz VVNLEGIFSFYORE-GHMZBOCLSA-N 2 3 199.342 0.607 10 0 ACAEHP CN1CC[C@H]([NH3+])[C@H](CCC[NH+](C)C)C1 74214376 572446566 /nfs/dbraw/zinc/44/65/66/572446566.db2.gz VVNLEGIFSFYORE-MNOVXSKESA-N 2 3 199.342 0.607 10 0 ACAEHP CN1CC[C@@H](CC[NH+](C)C)[C@@H](C[NH3+])C1 250559945 572479388 /nfs/dbraw/zinc/47/93/88/572479388.db2.gz CEPNAORENCIBMG-MNOVXSKESA-N 2 3 199.342 0.465 10 0 ACAEHP C[N@@H+]1CC[C@@H](CN)[C@H]1C1CC[NH2+]CC1 250569147 572480337 /nfs/dbraw/zinc/48/03/37/572480337.db2.gz DQROPBIANCAHQA-WDEREUQCSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@@H](CN)[C@H]1C1CC[NH2+]CC1 250569147 572480341 /nfs/dbraw/zinc/48/03/41/572480341.db2.gz DQROPBIANCAHQA-WDEREUQCSA-N 2 3 197.326 0.265 10 0 ACAEHP CN1CC[C@@H](C[NH3+])[C@H]1C1CC[NH2+]CC1 250569147 572480349 /nfs/dbraw/zinc/48/03/49/572480349.db2.gz DQROPBIANCAHQA-WDEREUQCSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@@H+]1CC[C@H](CN)[C@H]1C1CC[NH2+]CC1 250569144 572482205 /nfs/dbraw/zinc/48/22/05/572482205.db2.gz DQROPBIANCAHQA-GHMZBOCLSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@H](CN)[C@H]1C1CC[NH2+]CC1 250569144 572482208 /nfs/dbraw/zinc/48/22/08/572482208.db2.gz DQROPBIANCAHQA-GHMZBOCLSA-N 2 3 197.326 0.265 10 0 ACAEHP CN1CC[C@H](C[NH3+])[C@H]1C1CC[NH2+]CC1 250569144 572482211 /nfs/dbraw/zinc/48/22/11/572482211.db2.gz DQROPBIANCAHQA-GHMZBOCLSA-N 2 3 197.326 0.265 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@@H](CN)CC[N@@H+]1C 250575417 572483830 /nfs/dbraw/zinc/48/38/30/572483830.db2.gz FIPNIHSROXDZIG-GHMZBOCLSA-N 2 3 199.342 0.607 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@@H](CN)CC[N@H+]1C 250575417 572483834 /nfs/dbraw/zinc/48/38/34/572483834.db2.gz FIPNIHSROXDZIG-GHMZBOCLSA-N 2 3 199.342 0.607 10 0 ACAEHP CN1CC[C@@H](C[NH3+])[C@H]2C[N@H+](C)CC[C@H]21 250606793 572489476 /nfs/dbraw/zinc/48/94/76/572489476.db2.gz LNHHRLAWDKZAEU-HBNTYKKESA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H](C[NH3+])[C@H]2C[N@@H+](C)CC[C@H]21 250606793 572489478 /nfs/dbraw/zinc/48/94/78/572489478.db2.gz LNHHRLAWDKZAEU-HBNTYKKESA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@H](C[NH3+])CC[N@@H+]2C 250606793 572489482 /nfs/dbraw/zinc/48/94/82/572489482.db2.gz LNHHRLAWDKZAEU-HBNTYKKESA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@H](C[NH3+])CC[N@H+]2C 250606793 572489483 /nfs/dbraw/zinc/48/94/83/572489483.db2.gz LNHHRLAWDKZAEU-HBNTYKKESA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@@H](C[NH3+])CC[N@@H+]2C 250606790 572489262 /nfs/dbraw/zinc/48/92/62/572489262.db2.gz LNHHRLAWDKZAEU-GMTAPVOTSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@H](C[NH3+])[C@H]2C[N@H+](C)CC[C@H]21 250606790 572489258 /nfs/dbraw/zinc/48/92/58/572489258.db2.gz LNHHRLAWDKZAEU-GMTAPVOTSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@H](C[NH3+])[C@H]2C[N@@H+](C)CC[C@H]21 250606790 572489260 /nfs/dbraw/zinc/48/92/60/572489260.db2.gz LNHHRLAWDKZAEU-GMTAPVOTSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@@H](C[NH3+])CC[N@H+]2C 250606790 572489266 /nfs/dbraw/zinc/48/92/66/572489266.db2.gz LNHHRLAWDKZAEU-GMTAPVOTSA-N 2 3 197.326 0.217 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@@H](N)CC[N@@H+]1C 250598422 572490667 /nfs/dbraw/zinc/49/06/67/572490667.db2.gz JJJXQKFTXHGQCR-VHSXEESVSA-N 2 3 185.315 0.360 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@@H](N)CC[N@H+]1C 250598422 572490669 /nfs/dbraw/zinc/49/06/69/572490669.db2.gz JJJXQKFTXHGQCR-VHSXEESVSA-N 2 3 185.315 0.360 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@H](N)CC[N@@H+]1C 250598420 572490862 /nfs/dbraw/zinc/49/08/62/572490862.db2.gz JJJXQKFTXHGQCR-NXEZZACHSA-N 2 3 185.315 0.360 10 0 ACAEHP C[NH+](C)CCC[C@@H]1[C@H](N)CC[N@H+]1C 250598420 572490866 /nfs/dbraw/zinc/49/08/66/572490866.db2.gz JJJXQKFTXHGQCR-NXEZZACHSA-N 2 3 185.315 0.360 10 0 ACAEHP CN1CC[C@H](C[NH3+])[C@@H]2C[N@H+](C)CC[C@H]21 250606796 572491581 /nfs/dbraw/zinc/49/15/81/572491581.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@H](C[NH3+])[C@@H]2C[N@@H+](C)CC[C@H]21 250606796 572491586 /nfs/dbraw/zinc/49/15/86/572491586.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@@H](C1)[C@@H](C[NH3+])CC[N@H+]2C 250606796 572491594 /nfs/dbraw/zinc/49/15/94/572491594.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@@H](C1)[C@@H](C[NH3+])CC[N@@H+]2C 250606796 572491592 /nfs/dbraw/zinc/49/15/92/572491592.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 2 3 197.326 0.217 10 0 ACAEHP NC[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH3+] 84216226 572512746 /nfs/dbraw/zinc/51/27/46/572512746.db2.gz PCQVFABBLKNJMP-MNOVXSKESA-N 2 3 199.342 0.832 10 0 ACAEHP NC[C@H]1CCCC[C@H]1[NH2+]CCCC[NH3+] 84216228 572511307 /nfs/dbraw/zinc/51/13/07/572511307.db2.gz PCQVFABBLKNJMP-GHMZBOCLSA-N 2 3 199.342 0.832 10 0 ACAEHP C[C@H](CCCC[NH3+])[NH2+]CCCN 308045653 572511352 /nfs/dbraw/zinc/51/13/52/572511352.db2.gz PFUHDYSJXNLROY-SECBINFHSA-N 2 3 173.304 0.442 10 0 ACAEHP C[C@@H](CCCC[NH3+])[NH2+]CCCN 308045658 572511684 /nfs/dbraw/zinc/51/16/84/572511684.db2.gz PFUHDYSJXNLROY-VIFPVBQESA-N 2 3 173.304 0.442 10 0 ACAEHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH3+] 84216225 572513466 /nfs/dbraw/zinc/51/34/66/572513466.db2.gz PCQVFABBLKNJMP-WDEREUQCSA-N 2 3 199.342 0.832 10 0 ACAEHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH3+] 84216224 572514190 /nfs/dbraw/zinc/51/41/90/572514190.db2.gz PCQVFABBLKNJMP-QWRGUYRKSA-N 2 3 199.342 0.832 10 0 ACAEHP NC[C@H]1CCC[C@@H]1[NH2+]CCCC[NH3+] 84219897 572514895 /nfs/dbraw/zinc/51/48/95/572514895.db2.gz BRLPKKDGDHYEFH-ZJUUUORDSA-N 2 3 185.315 0.442 10 0 ACAEHP NC[C@@H]1CCC[C@H]1[NH2+]CCCC[NH3+] 84219892 572514928 /nfs/dbraw/zinc/51/49/28/572514928.db2.gz BRLPKKDGDHYEFH-VHSXEESVSA-N 2 3 185.315 0.442 10 0 ACAEHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH3+] 84219903 572514938 /nfs/dbraw/zinc/51/49/38/572514938.db2.gz BRLPKKDGDHYEFH-UWVGGRQHSA-N 2 3 185.315 0.442 10 0 ACAEHP NC[C@H]1CCC[C@H]1[NH2+]CCCC[NH3+] 84219888 572515675 /nfs/dbraw/zinc/51/56/75/572515675.db2.gz BRLPKKDGDHYEFH-NXEZZACHSA-N 2 3 185.315 0.442 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@@H](CC[NH3+])C[N@@H+]2C 250665252 572521233 /nfs/dbraw/zinc/52/12/33/572521233.db2.gz ZPFWYZBPUDEQRL-HBNTYKKESA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@H](C1)[C@@H](CC[NH3+])C[N@H+]2C 250665252 572521238 /nfs/dbraw/zinc/52/12/38/572521238.db2.gz ZPFWYZBPUDEQRL-HBNTYKKESA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@@H](C1)[C@@H](CC[NH3+])C[N@@H+]2C 250665250 572524271 /nfs/dbraw/zinc/52/42/71/572524271.db2.gz ZPFWYZBPUDEQRL-GARJFASQSA-N 2 3 197.326 0.217 10 0 ACAEHP CN1CC[C@@H]2[C@@H](C1)[C@@H](CC[NH3+])C[N@H+]2C 250665250 572524273 /nfs/dbraw/zinc/52/42/73/572524273.db2.gz ZPFWYZBPUDEQRL-GARJFASQSA-N 2 3 197.326 0.217 10 0 ACAEHP C[C@H]([C@H](N)CCC[NH+](C)C)[NH+](C)C 74278447 572538605 /nfs/dbraw/zinc/53/86/05/572538605.db2.gz JXUSJKFKWXECOY-NXEZZACHSA-N 2 3 187.331 0.606 10 0 ACAEHP C[C@@H]([C@@H](N)CCC[NH+](C)C)[NH+](C)C 74278450 572538969 /nfs/dbraw/zinc/53/89/69/572538969.db2.gz JXUSJKFKWXECOY-UWVGGRQHSA-N 2 3 187.331 0.606 10 0 ACAEHP C[C@H]([C@@H](N)CCC[NH+](C)C)[NH+](C)C 74278454 572539720 /nfs/dbraw/zinc/53/97/20/572539720.db2.gz JXUSJKFKWXECOY-ZJUUUORDSA-N 2 3 187.331 0.606 10 0 ACAEHP C[C@@H]([C@H](N)CCC[NH+](C)C)[NH+](C)C 74278445 572540476 /nfs/dbraw/zinc/54/04/76/572540476.db2.gz JXUSJKFKWXECOY-VHSXEESVSA-N 2 3 187.331 0.606 10 0 ACAEHP C[NH+](C)CCCCC[NH2+]CCCN 238297544 572542790 /nfs/dbraw/zinc/54/27/90/572542790.db2.gz SMNVNTSUMUIXOD-UHFFFAOYSA-N 2 3 187.331 0.657 10 0 ACAEHP C[NH+](C)CCCCN[C@H]1CCC[NH2+]C1 84518049 572564426 /nfs/dbraw/zinc/56/44/26/572564426.db2.gz WQVITBUGYNLGDF-NSHDSACASA-N 2 3 199.342 0.670 10 0 ACAEHP C[NH+](C)CCCCN[C@@H]1CCC[NH2+]C1 84518048 572565060 /nfs/dbraw/zinc/56/50/60/572565060.db2.gz WQVITBUGYNLGDF-LLVKDONJSA-N 2 3 199.342 0.670 10 0 ACAEHP CN(C/C=C/C[NH3+])C1CC[NH+](C)CC1 85054763 572636428 /nfs/dbraw/zinc/63/64/28/572636428.db2.gz MKLGMPNVNUTGTC-ONEGZZNKSA-N 2 3 197.326 0.527 10 0 ACAEHP CN1CC[C@@H](C[N@H+](C)C/C=C/C[NH3+])C1 85055096 572638227 /nfs/dbraw/zinc/63/82/27/572638227.db2.gz HVVBZVUCWCSULH-UFFNRZRYSA-N 2 3 197.326 0.385 10 0 ACAEHP CN1CC[C@@H](C[N@@H+](C)C/C=C/C[NH3+])C1 85055096 572638231 /nfs/dbraw/zinc/63/82/31/572638231.db2.gz HVVBZVUCWCSULH-UFFNRZRYSA-N 2 3 197.326 0.385 10 0 ACAEHP CN1CC[C@H](C[N@H+](C)C/C=C/C[NH3+])C1 85055094 572639925 /nfs/dbraw/zinc/63/99/25/572639925.db2.gz HVVBZVUCWCSULH-PGLGOXFNSA-N 2 3 197.326 0.385 10 0 ACAEHP CN1CC[C@H](C[N@@H+](C)C/C=C/C[NH3+])C1 85055094 572639929 /nfs/dbraw/zinc/63/99/29/572639929.db2.gz HVVBZVUCWCSULH-PGLGOXFNSA-N 2 3 197.326 0.385 10 0 ACAEHP [NH3+]CCCC[NH2+]C[C@@H]1CCCNC1 87646689 572644706 /nfs/dbraw/zinc/64/47/06/572644706.db2.gz WFFLTLVTDBRQLK-JTQLQIEISA-N 2 3 185.315 0.315 10 0 ACAEHP [NH3+]CCCC[NH2+]C[C@H]1CCCNC1 87646687 572644894 /nfs/dbraw/zinc/64/48/94/572644894.db2.gz WFFLTLVTDBRQLK-SNVBAGLBSA-N 2 3 185.315 0.315 10 0 ACAEHP C[C@@H](C[NH3+])CC[C@@H](C[NH3+])CN(C)C 238401126 572673206 /nfs/dbraw/zinc/67/32/06/572673206.db2.gz ANCOHGOWHNUYDY-ZJUUUORDSA-N 2 3 187.331 0.498 10 0 ACAEHP C[C@@H](C[NH3+])CC[C@H](C[NH3+])CN(C)C 238401174 572672957 /nfs/dbraw/zinc/67/29/57/572672957.db2.gz ANCOHGOWHNUYDY-NXEZZACHSA-N 2 3 187.331 0.498 10 0 ACAEHP C[C@@H]1C[C@H](CC[NH+](C)C)[C@@H](CN)C[NH2+]1 253484078 572683756 /nfs/dbraw/zinc/68/37/56/572683756.db2.gz DNDANJNDNGNIDR-VWYCJHECSA-N 2 3 199.342 0.511 10 0 ACAEHP C[C@@H]1C[C@@H](CC[NH+](C)C)[C@@H](CN)C[NH2+]1 253484077 572684689 /nfs/dbraw/zinc/68/46/89/572684689.db2.gz DNDANJNDNGNIDR-MXWKQRLJSA-N 2 3 199.342 0.511 10 0 ACAEHP NCCC[NH2+]C[C@@H]1CC[C@@H]([NH3+])C1 308200873 572927945 /nfs/dbraw/zinc/92/79/45/572927945.db2.gz YCPOMPGYNSTEIC-RKDXNWHRSA-N 2 3 171.288 0.052 10 0 ACAEHP NCCC[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 308200871 572929178 /nfs/dbraw/zinc/92/91/78/572929178.db2.gz YCPOMPGYNSTEIC-DTWKUNHWSA-N 2 3 171.288 0.052 10 0 ACAEHP NCCC[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 308200869 572929244 /nfs/dbraw/zinc/92/92/44/572929244.db2.gz YCPOMPGYNSTEIC-BDAKNGLRSA-N 2 3 171.288 0.052 10 0 ACAEHP NCCC[NH2+]C[C@H]1CC[C@H]([NH3+])C1 308200872 572929911 /nfs/dbraw/zinc/92/99/11/572929911.db2.gz YCPOMPGYNSTEIC-IUCAKERBSA-N 2 3 171.288 0.052 10 0 ACAEHP N[C@H]1CC[C@H]([NH2+]CCCC[NH3+])C1 86399226 572930672 /nfs/dbraw/zinc/93/06/72/572930672.db2.gz TUKNYIZKJFWZDC-IUCAKERBSA-N 2 3 171.288 0.195 10 0 ACAEHP C[NH+](C)CCCC[NH2+][C@H]1CC[C@@H](N)C1 86400152 572931405 /nfs/dbraw/zinc/93/14/05/572931405.db2.gz TYHANZAXCUIGTF-MNOVXSKESA-N 2 3 199.342 0.798 10 0 ACAEHP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H](N)C1 86400150 572931419 /nfs/dbraw/zinc/93/14/19/572931419.db2.gz TYHANZAXCUIGTF-GHMZBOCLSA-N 2 3 199.342 0.798 10 0 ACAEHP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@H](N)C1 86400146 572931601 /nfs/dbraw/zinc/93/16/01/572931601.db2.gz TYHANZAXCUIGTF-WDEREUQCSA-N 2 3 199.342 0.798 10 0 ACAEHP N[C@@H]1CC[C@H]([NH2+]CCCC[NH3+])C1 86399222 572932330 /nfs/dbraw/zinc/93/23/30/572932330.db2.gz TUKNYIZKJFWZDC-BDAKNGLRSA-N 2 3 171.288 0.195 10 0 ACAEHP N[C@H]1CC[C@@H]([NH2+]CCCC[NH3+])C1 86399227 572932411 /nfs/dbraw/zinc/93/24/11/572932411.db2.gz TUKNYIZKJFWZDC-DTWKUNHWSA-N 2 3 171.288 0.195 10 0 ACAEHP C[NH+](C)CCCC[NH2+][C@H]1CC[C@H](N)C1 86400148 572932508 /nfs/dbraw/zinc/93/25/08/572932508.db2.gz TYHANZAXCUIGTF-QWRGUYRKSA-N 2 3 199.342 0.798 10 0 ACAEHP C[NH+](C)CCCC[NH2+]CCCN 88077444 572962226 /nfs/dbraw/zinc/96/22/26/572962226.db2.gz LPMORQDXGOUXEM-UHFFFAOYSA-N 2 3 173.304 0.267 10 0 ACAEHP CC[C@H]([NH3+])C1CC[NH+](CCN)CC1 259302305 572997225 /nfs/dbraw/zinc/99/72/25/572997225.db2.gz KDHYPVNULSEWEJ-JTQLQIEISA-N 2 3 185.315 0.394 10 0 ACAEHP CC[C@@H]([NH3+])C1CC[NH+](CCN)CC1 259302309 572997762 /nfs/dbraw/zinc/99/77/62/572997762.db2.gz KDHYPVNULSEWEJ-SNVBAGLBSA-N 2 3 185.315 0.394 10 0 ACAEHP C[C@H](C[NH3+])C[C@@H]([NH3+])[C@@H]1CCN(C)C1 259305545 573004421 /nfs/dbraw/zinc/00/44/21/573004421.db2.gz KHMPIMKPNUYGJP-IVZWLZJFSA-N 2 3 185.315 0.250 10 0 ACAEHP C[C@H](C[NH3+])C[C@@H]([NH3+])[C@H]1CCN(C)C1 259305548 573005362 /nfs/dbraw/zinc/00/53/62/573005362.db2.gz KHMPIMKPNUYGJP-LPEHRKFASA-N 2 3 185.315 0.250 10 0 ACAEHP C[C@H](C[NH3+])C[C@H]([NH3+])[C@H]1CCN(C)C1 259305541 573006824 /nfs/dbraw/zinc/00/68/24/573006824.db2.gz KHMPIMKPNUYGJP-GUBZILKMSA-N 2 3 185.315 0.250 10 0 ACAEHP C[C@H](C[NH3+])C[C@H]([NH3+])[C@@H]1CCN(C)C1 259305535 573008097 /nfs/dbraw/zinc/00/80/97/573008097.db2.gz KHMPIMKPNUYGJP-AEJSXWLSSA-N 2 3 185.315 0.250 10 0 ACAEHP NC[C@@H](C[NH2+]C1CC1)C1CC[NH2+]CC1 258223212 573016936 /nfs/dbraw/zinc/01/69/36/573016936.db2.gz QWPCCUUFDAXXNB-JTQLQIEISA-N 2 3 197.326 0.313 10 0 ACAEHP [NH3+]C[C@@H](CNC1CC1)C1CC[NH2+]CC1 258223212 573016944 /nfs/dbraw/zinc/01/69/44/573016944.db2.gz QWPCCUUFDAXXNB-JTQLQIEISA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@H](C[NH2+]C1CC1)C1CC[NH2+]CC1 258223217 573017048 /nfs/dbraw/zinc/01/70/48/573017048.db2.gz QWPCCUUFDAXXNB-SNVBAGLBSA-N 2 3 197.326 0.313 10 0 ACAEHP [NH3+]C[C@H](CNC1CC1)C1CC[NH2+]CC1 258223217 573017054 /nfs/dbraw/zinc/01/70/54/573017054.db2.gz QWPCCUUFDAXXNB-SNVBAGLBSA-N 2 3 197.326 0.313 10 0 ACAEHP CN(C)CCC[N@@H+]1CCC[C@H]1CC[NH3+] 259324118 573086222 /nfs/dbraw/zinc/08/62/22/573086222.db2.gz RAQQDXNNBUZEJT-NSHDSACASA-N 2 3 199.342 0.751 10 0 ACAEHP CN(C)CCC[N@H+]1CCC[C@H]1CC[NH3+] 259324118 573086229 /nfs/dbraw/zinc/08/62/29/573086229.db2.gz RAQQDXNNBUZEJT-NSHDSACASA-N 2 3 199.342 0.751 10 0 ACAEHP NCC1(C[NH3+])CC[NH+](C2CC2)CC1 259324779 573087899 /nfs/dbraw/zinc/08/78/99/573087899.db2.gz MXRIIVGXIXGZPT-UHFFFAOYSA-N 2 3 183.299 0.148 10 0 ACAEHP CN(C)CCC[N@@H+]1CCC[C@@H]1CC[NH3+] 259324114 573088904 /nfs/dbraw/zinc/08/89/04/573088904.db2.gz RAQQDXNNBUZEJT-LLVKDONJSA-N 2 3 199.342 0.751 10 0 ACAEHP CN(C)CCC[N@H+]1CCC[C@@H]1CC[NH3+] 259324114 573088912 /nfs/dbraw/zinc/08/89/12/573088912.db2.gz RAQQDXNNBUZEJT-LLVKDONJSA-N 2 3 199.342 0.751 10 0 ACAEHP C[C@H](CC[NH3+])[C@@H]([NH3+])[C@@H]1CCN(C)C1 259337268 573124792 /nfs/dbraw/zinc/12/47/92/573124792.db2.gz LLGMIJFJVFJJGD-OPRDCNLKSA-N 2 3 185.315 0.250 10 0 ACAEHP C[C@H](CC[NH3+])[C@H]([NH3+])[C@H]1CCN(C)C1 259337273 573125857 /nfs/dbraw/zinc/12/58/57/573125857.db2.gz LLGMIJFJVFJJGD-UTLUCORTSA-N 2 3 185.315 0.250 10 0 ACAEHP C[C@H](CC[NH3+])[C@H]([NH3+])[C@@H]1CCN(C)C1 259337257 573126743 /nfs/dbraw/zinc/12/67/43/573126743.db2.gz LLGMIJFJVFJJGD-BBBLOLIVSA-N 2 3 185.315 0.250 10 0 ACAEHP C[NH2+]C[C@@H](CN)[C@H]1CC[N@@H+](C(C)C)C1 258235104 573127555 /nfs/dbraw/zinc/12/75/55/573127555.db2.gz RQEKXSVIJPBGSH-WDEREUQCSA-N 2 3 199.342 0.511 10 0 ACAEHP C[NH2+]C[C@@H](CN)[C@H]1CC[N@H+](C(C)C)C1 258235104 573127558 /nfs/dbraw/zinc/12/75/58/573127558.db2.gz RQEKXSVIJPBGSH-WDEREUQCSA-N 2 3 199.342 0.511 10 0 ACAEHP C[NH2+]C[C@H](CN)[C@H]1CC[N@@H+](C(C)C)C1 258235101 573127612 /nfs/dbraw/zinc/12/76/12/573127612.db2.gz RQEKXSVIJPBGSH-QWRGUYRKSA-N 2 3 199.342 0.511 10 0 ACAEHP C[NH2+]C[C@H](CN)[C@H]1CC[N@H+](C(C)C)C1 258235101 573127621 /nfs/dbraw/zinc/12/76/21/573127621.db2.gz RQEKXSVIJPBGSH-QWRGUYRKSA-N 2 3 199.342 0.511 10 0 ACAEHP C[NH2+]C[C@H](CN)[C@@H]1CC[N@@H+](C(C)C)C1 258235100 573128189 /nfs/dbraw/zinc/12/81/89/573128189.db2.gz RQEKXSVIJPBGSH-MNOVXSKESA-N 2 3 199.342 0.511 10 0 ACAEHP C[NH2+]C[C@H](CN)[C@@H]1CC[N@H+](C(C)C)C1 258235100 573128199 /nfs/dbraw/zinc/12/81/99/573128199.db2.gz RQEKXSVIJPBGSH-MNOVXSKESA-N 2 3 199.342 0.511 10 0 ACAEHP C[C@H](CC[NH3+])[C@@H]([NH3+])[C@H]1CCN(C)C1 259337263 573128205 /nfs/dbraw/zinc/12/82/05/573128205.db2.gz LLGMIJFJVFJJGD-KXUCPTDWSA-N 2 3 185.315 0.250 10 0 ACAEHP C[C@@H](CN)C[NH2+]CCCC[NH+](C)C 308272727 573129042 /nfs/dbraw/zinc/12/90/42/573129042.db2.gz SXLOISNRGUPZLO-JTQLQIEISA-N 2 3 187.331 0.513 10 0 ACAEHP C[C@H](CN)C[NH2+]CCCC[NH+](C)C 308272729 573130271 /nfs/dbraw/zinc/13/02/71/573130271.db2.gz SXLOISNRGUPZLO-SNVBAGLBSA-N 2 3 187.331 0.513 10 0 ACAEHP C[N@@H+]1CC[C@H]([C@H](CN)C[NH2+]C2CC2)C1 257952088 573132508 /nfs/dbraw/zinc/13/25/08/573132508.db2.gz AORGWBRAQBFFBQ-VHSXEESVSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@H]([C@H](CN)C[NH2+]C2CC2)C1 257952088 573132513 /nfs/dbraw/zinc/13/25/13/573132513.db2.gz AORGWBRAQBFFBQ-VHSXEESVSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@@H+]1CC[C@H]([C@H](C[NH3+])CNC2CC2)C1 257952088 573132518 /nfs/dbraw/zinc/13/25/18/573132518.db2.gz AORGWBRAQBFFBQ-VHSXEESVSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@H]([C@H](C[NH3+])CNC2CC2)C1 257952088 573132522 /nfs/dbraw/zinc/13/25/22/573132522.db2.gz AORGWBRAQBFFBQ-VHSXEESVSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@@H+]1CC[C@@H]([C@H](CN)C[NH2+]C2CC2)C1 257952085 573133142 /nfs/dbraw/zinc/13/31/42/573133142.db2.gz AORGWBRAQBFFBQ-NXEZZACHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@@H]([C@H](CN)C[NH2+]C2CC2)C1 257952085 573133147 /nfs/dbraw/zinc/13/31/47/573133147.db2.gz AORGWBRAQBFFBQ-NXEZZACHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@@H+]1CC[C@@H]([C@H](C[NH3+])CNC2CC2)C1 257952085 573133157 /nfs/dbraw/zinc/13/31/57/573133157.db2.gz AORGWBRAQBFFBQ-NXEZZACHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@@H]([C@H](C[NH3+])CNC2CC2)C1 257952085 573133162 /nfs/dbraw/zinc/13/31/62/573133162.db2.gz AORGWBRAQBFFBQ-NXEZZACHSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@@H+]1CC[C@@H]([C@@H](CN)C[NH2+]C2CC2)C1 257952089 573134069 /nfs/dbraw/zinc/13/40/69/573134069.db2.gz AORGWBRAQBFFBQ-ZJUUUORDSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@@H]([C@@H](CN)C[NH2+]C2CC2)C1 257952089 573134075 /nfs/dbraw/zinc/13/40/75/573134075.db2.gz AORGWBRAQBFFBQ-ZJUUUORDSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@@H+]1CC[C@@H]([C@@H](C[NH3+])CNC2CC2)C1 257952089 573134095 /nfs/dbraw/zinc/13/40/95/573134095.db2.gz AORGWBRAQBFFBQ-ZJUUUORDSA-N 2 3 197.326 0.265 10 0 ACAEHP C[N@H+]1CC[C@@H]([C@@H](C[NH3+])CNC2CC2)C1 257952089 573134100 /nfs/dbraw/zinc/13/41/00/573134100.db2.gz AORGWBRAQBFFBQ-ZJUUUORDSA-N 2 3 197.326 0.265 10 0 ACAEHP CCC[NH+]1CCC(CN)(C[NH3+])CC1 259338307 573141113 /nfs/dbraw/zinc/14/11/13/573141113.db2.gz NQMUJMMJHLROPB-UHFFFAOYSA-N 2 3 185.315 0.396 10 0 ACAEHP CN1CCC[C@H]([C@H]([NH3+])C2CC([NH3+])C2)C1 259365547 573193443 /nfs/dbraw/zinc/19/34/43/573193443.db2.gz MNKXUKZVHOQIEY-PMUOWJKOSA-N 2 3 197.326 0.393 10 0 ACAEHP CN1CCC[C@H]([C@@H]([NH3+])C2CC([NH3+])C2)C1 259365545 573194904 /nfs/dbraw/zinc/19/49/04/573194904.db2.gz MNKXUKZVHOQIEY-IDWGSYCQSA-N 2 3 197.326 0.393 10 0 ACAEHP CN1CCC[C@@H]([C@H]([NH3+])C2CC([NH3+])C2)C1 259365550 573198638 /nfs/dbraw/zinc/19/86/38/573198638.db2.gz MNKXUKZVHOQIEY-SFXRXQKFSA-N 2 3 197.326 0.393 10 0 ACAEHP C[C@H](CC[NH3+])[C@H]([NH3+])[C@H]1CCCN(C)C1 259377121 573216226 /nfs/dbraw/zinc/21/62/26/573216226.db2.gz MZZQEPNFSULUCC-VWYCJHECSA-N 2 3 199.342 0.640 10 0 ACAEHP C[C@H](CC[NH3+])[C@@H]([NH3+])[C@@H]1CCCN(C)C1 259377109 573217797 /nfs/dbraw/zinc/21/77/97/573217797.db2.gz MZZQEPNFSULUCC-GMTAPVOTSA-N 2 3 199.342 0.640 10 0 ACAEHP C[NH+]1CCC([C@H]([NH3+])C(C)(C)N)CC1 259402242 573283093 /nfs/dbraw/zinc/28/30/93/573283093.db2.gz OEMGBZOESVAOAU-VIFPVBQESA-N 2 3 185.315 0.393 10 0 ACAEHP CC[NH+]1CCC([C@@H](CN)C[NH2+]C)CC1 258278539 573286638 /nfs/dbraw/zinc/28/66/38/573286638.db2.gz VBUHXACDQMANIX-NSHDSACASA-N 2 3 199.342 0.513 10 0 ACAEHP CN(C)C[C@H](C[NH3+])C1CC[NH2+]CC1 258000369 573306818 /nfs/dbraw/zinc/30/68/18/573306818.db2.gz DTSJYQDBNONTCA-JTQLQIEISA-N 2 3 185.315 0.123 10 0 ACAEHP CN(C)C[C@@H](C[NH3+])C1CC[NH2+]CC1 258000370 573307241 /nfs/dbraw/zinc/30/72/41/573307241.db2.gz DTSJYQDBNONTCA-SNVBAGLBSA-N 2 3 185.315 0.123 10 0 ACAEHP NCC[C@@H](CCC[NH3+])[NH+]1CCCCC1 143527692 573335370 /nfs/dbraw/zinc/33/53/70/573335370.db2.gz YXOWPPUXVALHPK-LLVKDONJSA-N 2 3 199.342 0.929 10 0 ACAEHP [NH3+]CCC[C@H](CC[NH3+])N1CCCCC1 143527692 573335378 /nfs/dbraw/zinc/33/53/78/573335378.db2.gz YXOWPPUXVALHPK-LLVKDONJSA-N 2 3 199.342 0.929 10 0 ACAEHP CC[N@@H+]1CC[C@@H]([C@H](CN)C[NH2+]C)C1 258298596 573359788 /nfs/dbraw/zinc/35/97/88/573359788.db2.gz WJCCVVFXTGMJDK-NXEZZACHSA-N 2 3 185.315 0.123 10 0 ACAEHP CC[N@H+]1CC[C@@H]([C@H](CN)C[NH2+]C)C1 258298596 573359796 /nfs/dbraw/zinc/35/97/96/573359796.db2.gz WJCCVVFXTGMJDK-NXEZZACHSA-N 2 3 185.315 0.123 10 0 ACAEHP C[C@H]([NH3+])CC[C@H]([NH3+])[C@@H]1CCCN(C)C1 259427531 573362280 /nfs/dbraw/zinc/36/22/80/573362280.db2.gz PFVYPVMOZCMADL-AXFHLTTASA-N 2 3 199.342 0.783 10 0 ACAEHP CN[C@H](C[NH2+]C)C1CC[NH+](C)CC1 259427458 573365002 /nfs/dbraw/zinc/36/50/02/573365002.db2.gz MYVUUAFLOYFDCL-SNVBAGLBSA-N 2 3 185.315 0.136 10 0 ACAEHP CNC[C@H]([NH3+])C1CC[NH+](C(C)C)CC1 258324138 573368229 /nfs/dbraw/zinc/36/82/29/573368229.db2.gz YCNYLYTXUJDOBS-NSHDSACASA-N 2 3 199.342 0.654 10 0 ACAEHP CN(C)C[C@H](C[NH3+])[C@H]1CC[N@H+](C)C1 258326148 573371664 /nfs/dbraw/zinc/37/16/64/573371664.db2.gz YGGHOFAUBIPILC-UWVGGRQHSA-N 2 3 185.315 0.075 10 0 ACAEHP CN(C)C[C@H](C[NH3+])[C@H]1CC[N@@H+](C)C1 258326148 573371672 /nfs/dbraw/zinc/37/16/72/573371672.db2.gz YGGHOFAUBIPILC-UWVGGRQHSA-N 2 3 185.315 0.075 10 0 ACAEHP CNC[C@@H]([NH3+])C1CC[NH+](C(C)C)CC1 258324134 573371787 /nfs/dbraw/zinc/37/17/87/573371787.db2.gz YCNYLYTXUJDOBS-LLVKDONJSA-N 2 3 199.342 0.654 10 0 ACAEHP CN(C)C[C@@H](C[NH3+])[C@H]1CC[N@H+](C)C1 258326151 573372822 /nfs/dbraw/zinc/37/28/22/573372822.db2.gz YGGHOFAUBIPILC-VHSXEESVSA-N 2 3 185.315 0.075 10 0 ACAEHP CN(C)C[C@@H](C[NH3+])[C@H]1CC[N@@H+](C)C1 258326151 573372823 /nfs/dbraw/zinc/37/28/23/573372823.db2.gz YGGHOFAUBIPILC-VHSXEESVSA-N 2 3 185.315 0.075 10 0 ACAEHP CN(C)C[C@H](C[NH3+])[C@@H]1CC[N@H+](C)C1 258326167 573372875 /nfs/dbraw/zinc/37/28/75/573372875.db2.gz YGGHOFAUBIPILC-ZJUUUORDSA-N 2 3 185.315 0.075 10 0 ACAEHP CN(C)C[C@H](C[NH3+])[C@@H]1CC[N@@H+](C)C1 258326167 573372879 /nfs/dbraw/zinc/37/28/79/573372879.db2.gz YGGHOFAUBIPILC-ZJUUUORDSA-N 2 3 185.315 0.075 10 0 ACAEHP C[NH2+]CCC[C@H]([NH3+])[C@H]1CCN(C)C1 259439966 573400794 /nfs/dbraw/zinc/40/07/94/573400794.db2.gz PWOBWLUSDVDLFV-UWVGGRQHSA-N 2 3 185.315 0.265 10 0 ACAEHP C[NH2+]CCC[C@H]([NH3+])[C@@H]1CCN(C)C1 259439969 573401932 /nfs/dbraw/zinc/40/19/32/573401932.db2.gz PWOBWLUSDVDLFV-ZJUUUORDSA-N 2 3 185.315 0.265 10 0 ACAEHP N[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 86400264 573403298 /nfs/dbraw/zinc/40/32/98/573403298.db2.gz FQAPTIFQYFLHMW-QONHTCSSSA-N 2 3 197.326 0.726 10 0 ACAEHP C[NH2+]CCC[C@@H]([NH3+])[C@H]1CCN(C)C1 259439967 573403648 /nfs/dbraw/zinc/40/36/48/573403648.db2.gz PWOBWLUSDVDLFV-VHSXEESVSA-N 2 3 185.315 0.265 10 0 ACAEHP N[C@@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 86400267 573403733 /nfs/dbraw/zinc/40/37/33/573403733.db2.gz FQAPTIFQYFLHMW-VGRIYTJTSA-N 2 3 197.326 0.726 10 0 ACAEHP N[C@@H]1CC[C@@H]([NH2+]CCCC[NH3+])C1 86399223 573407637 /nfs/dbraw/zinc/40/76/37/573407637.db2.gz TUKNYIZKJFWZDC-RKDXNWHRSA-N 2 3 171.288 0.195 10 0 ACAEHP C[NH+]1CCC([C@@H]([NH3+])CNC2CC2)CC1 258022017 573438164 /nfs/dbraw/zinc/43/81/64/573438164.db2.gz FYZQGTSRBCMXBR-NSHDSACASA-N 2 3 197.326 0.408 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])C(C)(C)CC[NH3+])C1 259103115 573443820 /nfs/dbraw/zinc/44/38/20/573443820.db2.gz BCBWZLDPCUJUDZ-VHSXEESVSA-N 2 3 199.342 0.640 10 0 ACAEHP [NH3+]C1CCC(C[NH2+][C@H]2CCNC2)CC1 257817226 573451081 /nfs/dbraw/zinc/45/10/81/573451081.db2.gz DRWWGIAXVXQXIL-ILDUYXDCSA-N 2 3 197.326 0.455 10 0 ACAEHP CN(C)C[C@H](C[NH3+])C1CC[NH+](C)CC1 258352584 573455380 /nfs/dbraw/zinc/45/53/80/573455380.db2.gz ZZKLCUFQJMIVHT-NSHDSACASA-N 2 3 199.342 0.465 10 0 ACAEHP CNCCC[NH2+]CC1CC[NH+](C)CC1 258660311 573462118 /nfs/dbraw/zinc/46/21/18/573462118.db2.gz BPIZXBUCJFWOPO-UHFFFAOYSA-N 2 3 199.342 0.527 10 0 ACAEHP CC(C)(C)[NH+]1CCC(CN)(C[NH3+])CC1 259458353 573463401 /nfs/dbraw/zinc/46/34/01/573463401.db2.gz WWJDXTSRQGMNDD-UHFFFAOYSA-N 2 3 199.342 0.785 10 0 ACAEHP C[NH2+]C[C@H](CN)C1CC[NH+](C)CC1 258035409 573465806 /nfs/dbraw/zinc/46/58/06/573465806.db2.gz GRXNNRNLVGYJJI-JTQLQIEISA-N 2 3 185.315 0.123 10 0 ACAEHP [NH3+][C@@H](CNC1CC1)C1CC[NH2+]CC1 258038059 573486966 /nfs/dbraw/zinc/48/69/66/573486966.db2.gz GYODYIXSIRHNAN-JTQLQIEISA-N 2 3 183.299 0.065 10 0 ACAEHP [NH3+][C@H](CNC1CC1)C1CC[NH2+]CC1 258038060 573487692 /nfs/dbraw/zinc/48/76/92/573487692.db2.gz GYODYIXSIRHNAN-SNVBAGLBSA-N 2 3 183.299 0.065 10 0 ACAEHP CN1CC[C@@H]([C@H]([NH3+])C2CC[NH2+]CC2)C1 259472578 573489081 /nfs/dbraw/zinc/48/90/81/573489081.db2.gz RWHQZSRNCSQAIL-GHMZBOCLSA-N 2 3 197.326 0.265 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])C2CC[NH2+]CC2)C1 259472582 573493462 /nfs/dbraw/zinc/49/34/62/573493462.db2.gz RWHQZSRNCSQAIL-QWRGUYRKSA-N 2 3 197.326 0.265 10 0 ACAEHP C[NH2+][C@H](C1CC[NH+](C)CC1)C1CNC1 259479986 573504093 /nfs/dbraw/zinc/50/40/93/573504093.db2.gz QOOHXVJRBPIDFX-LLVKDONJSA-N 2 3 197.326 0.136 10 0 ACAEHP C[NH2+][C@@H](C1CC[NH+](C)CC1)C1CNC1 259479989 573504552 /nfs/dbraw/zinc/50/45/52/573504552.db2.gz QOOHXVJRBPIDFX-NSHDSACASA-N 2 3 197.326 0.136 10 0 ACAEHP C[C@H](CN)C[NH2+]CC[C@H]1CC[N@H+](C)C1 258732782 573516027 /nfs/dbraw/zinc/51/60/27/573516027.db2.gz KEWSWUJYWZUTDS-MNOVXSKESA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@H](CN)C[NH2+]CC[C@H]1CC[N@@H+](C)C1 258732782 573516033 /nfs/dbraw/zinc/51/60/33/573516033.db2.gz KEWSWUJYWZUTDS-MNOVXSKESA-N 2 3 199.342 0.513 10 0 ACAEHP CNCCC[NH2+]CC[C@@H]1CC[N@H+](C)C1 258739995 573516538 /nfs/dbraw/zinc/51/65/38/573516538.db2.gz KWIHKTJVMVZCKC-LLVKDONJSA-N 2 3 199.342 0.527 10 0 ACAEHP CNCCC[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258739995 573516543 /nfs/dbraw/zinc/51/65/43/573516543.db2.gz KWIHKTJVMVZCKC-LLVKDONJSA-N 2 3 199.342 0.527 10 0 ACAEHP C[C@@H](CN)C[NH2+]CC[C@@H]1CC[N@H+](C)C1 258732786 573517003 /nfs/dbraw/zinc/51/70/03/573517003.db2.gz KEWSWUJYWZUTDS-WDEREUQCSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@@H](CN)C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258732786 573517008 /nfs/dbraw/zinc/51/70/08/573517008.db2.gz KEWSWUJYWZUTDS-WDEREUQCSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@@H](CN)C[NH2+]CC[C@H]1CC[N@H+](C)C1 258732784 573517734 /nfs/dbraw/zinc/51/77/34/573517734.db2.gz KEWSWUJYWZUTDS-QWRGUYRKSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@@H](CN)C[NH2+]CC[C@H]1CC[N@@H+](C)C1 258732784 573517737 /nfs/dbraw/zinc/51/77/37/573517737.db2.gz KEWSWUJYWZUTDS-QWRGUYRKSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@H](CN)C[NH2+]CC[C@@H]1CC[N@H+](C)C1 258732781 573520528 /nfs/dbraw/zinc/52/05/28/573520528.db2.gz KEWSWUJYWZUTDS-GHMZBOCLSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@H](CN)C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258732781 573520531 /nfs/dbraw/zinc/52/05/31/573520531.db2.gz KEWSWUJYWZUTDS-GHMZBOCLSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@H]([NH2+]CCCC[NH+](C)C)C1CNC1 686246207 573524369 /nfs/dbraw/zinc/52/43/69/573524369.db2.gz BVRYMGKSJCAWSR-JTQLQIEISA-N 2 3 199.342 0.526 10 0 ACAEHP C[NH+]1CCC([C@@H]([NH3+])C2(CN)CC2)CC1 259506932 573557342 /nfs/dbraw/zinc/55/73/42/573557342.db2.gz RHPSHCCXFONSNB-SNVBAGLBSA-N 2 3 197.326 0.394 10 0 ACAEHP CC[NH+]1CCC([C@@H](N)C[NH3+])CC1 258065586 573578165 /nfs/dbraw/zinc/57/81/65/573578165.db2.gz IHTCWCFSIJLGGU-VIFPVBQESA-N 2 3 171.288 0.004 10 0 ACAEHP CC[NH+]1CCC([C@H](N)C[NH3+])CC1 258065584 573578415 /nfs/dbraw/zinc/57/84/15/573578415.db2.gz IHTCWCFSIJLGGU-SECBINFHSA-N 2 3 171.288 0.004 10 0 ACAEHP C[C@H](C[NH3+])C[C@H]([NH3+])[C@H]1CCCN(C)C1 259115274 573581735 /nfs/dbraw/zinc/58/17/35/573581735.db2.gz BQHPIUCSZPYZCY-DCAQKATOSA-N 2 3 199.342 0.640 10 0 ACAEHP C[C@H](C[NH3+])C[C@H]([NH3+])[C@@H]1CCCN(C)C1 259115272 573582635 /nfs/dbraw/zinc/58/26/35/573582635.db2.gz BQHPIUCSZPYZCY-AXFHLTTASA-N 2 3 199.342 0.640 10 0 ACAEHP C[C@H](C[NH3+])C[C@@H]([NH3+])[C@@H]1CCCN(C)C1 259115278 573582733 /nfs/dbraw/zinc/58/27/33/573582733.db2.gz BQHPIUCSZPYZCY-HBNTYKKESA-N 2 3 199.342 0.640 10 0 ACAEHP C[C@H](C[NH3+])C[C@@H]([NH3+])[C@H]1CCCN(C)C1 259115276 573584673 /nfs/dbraw/zinc/58/46/73/573584673.db2.gz BQHPIUCSZPYZCY-GARJFASQSA-N 2 3 199.342 0.640 10 0 ACAEHP C[N@@H+]1CCC[C@@H](CC[NH2+]CCCN)C1 258817976 573602692 /nfs/dbraw/zinc/60/26/92/573602692.db2.gz TZFLNIXTYOVYDK-NSHDSACASA-N 2 3 199.342 0.657 10 0 ACAEHP C[N@H+]1CCC[C@@H](CC[NH2+]CCCN)C1 258817976 573602698 /nfs/dbraw/zinc/60/26/98/573602698.db2.gz TZFLNIXTYOVYDK-NSHDSACASA-N 2 3 199.342 0.657 10 0 ACAEHP C[N@@H+]1CCC[C@H](CC[NH2+]CCCN)C1 258817974 573603389 /nfs/dbraw/zinc/60/33/89/573603389.db2.gz TZFLNIXTYOVYDK-LLVKDONJSA-N 2 3 199.342 0.657 10 0 ACAEHP C[N@H+]1CCC[C@H](CC[NH2+]CCCN)C1 258817974 573603390 /nfs/dbraw/zinc/60/33/90/573603390.db2.gz TZFLNIXTYOVYDK-LLVKDONJSA-N 2 3 199.342 0.657 10 0 ACAEHP CN1CC[C@@H]([C@@H]([NH3+])C2CC([NH3+])C2)C1 259127747 573609050 /nfs/dbraw/zinc/60/90/50/573609050.db2.gz CGXQCXGTJAXYDB-SEZDTBSWSA-N 2 3 183.299 0.003 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])C2CC([NH3+])C2)C1 259127746 573612638 /nfs/dbraw/zinc/61/26/38/573612638.db2.gz CGXQCXGTJAXYDB-NFTFJBJSSA-N 2 3 183.299 0.003 10 0 ACAEHP C[N@H+]1CC[C@@H](CC[NH2+]CCCN)C1 258825681 573635682 /nfs/dbraw/zinc/63/56/82/573635682.db2.gz USABWHZEHKINEE-SNVBAGLBSA-N 2 3 185.315 0.267 10 0 ACAEHP C[N@@H+]1CC[C@@H](CC[NH2+]CCCN)C1 258825681 573635677 /nfs/dbraw/zinc/63/56/77/573635677.db2.gz USABWHZEHKINEE-SNVBAGLBSA-N 2 3 185.315 0.267 10 0 ACAEHP CN1CCC2(CC[NH2+]CC2)[C@@H](C[NH3+])C1 107782480 573646413 /nfs/dbraw/zinc/64/64/13/573646413.db2.gz OXABUUWYSGWXHH-JTQLQIEISA-N 2 3 197.326 0.267 10 0 ACAEHP C[C@H](CN)[C@@H]([NH3+])C1CC[NH+](C)CC1 259539628 573646797 /nfs/dbraw/zinc/64/67/97/573646797.db2.gz WXBAXGMHUIBOAT-PSASIEDQSA-N 2 3 185.315 0.250 10 0 ACAEHP C1C[NH2+]CC[C@@H](C[NH2+][C@@H]2CCNC2)C1 257840817 573648286 /nfs/dbraw/zinc/64/82/86/573648286.db2.gz MCCDSWXEMYTWFA-WDEREUQCSA-N 2 3 197.326 0.328 10 0 ACAEHP C[C@H](CN)[C@H]([NH3+])C1CC[NH+](C)CC1 259539630 573649595 /nfs/dbraw/zinc/64/95/95/573649595.db2.gz WXBAXGMHUIBOAT-SCZZXKLOSA-N 2 3 185.315 0.250 10 0 ACAEHP C[C@@H](CN)[C@H]([NH3+])C1CC[NH+](C)CC1 259539632 573649979 /nfs/dbraw/zinc/64/99/79/573649979.db2.gz WXBAXGMHUIBOAT-WPRPVWTQSA-N 2 3 185.315 0.250 10 0 ACAEHP C[N@H+](CCCN)C[C@H]1CC[C@@H]([NH3+])C1 308656860 573650207 /nfs/dbraw/zinc/65/02/07/573650207.db2.gz OLKUKFNTVRWXIS-VHSXEESVSA-N 2 3 185.315 0.394 10 0 ACAEHP C[N@@H+](CCCN)C[C@H]1CC[C@@H]([NH3+])C1 308656860 573650211 /nfs/dbraw/zinc/65/02/11/573650211.db2.gz OLKUKFNTVRWXIS-VHSXEESVSA-N 2 3 185.315 0.394 10 0 ACAEHP CN(CCC[NH3+])C[C@H]1CC[C@@H]([NH3+])C1 308656860 573650220 /nfs/dbraw/zinc/65/02/20/573650220.db2.gz OLKUKFNTVRWXIS-VHSXEESVSA-N 2 3 185.315 0.394 10 0 ACAEHP C1C[NH2+]CC[C@H](C[NH2+][C@H]2CCNC2)C1 257840815 573650523 /nfs/dbraw/zinc/65/05/23/573650523.db2.gz MCCDSWXEMYTWFA-MNOVXSKESA-N 2 3 197.326 0.328 10 0 ACAEHP C[NH+]1CCC(C[NH2+]CC2CNC2)CC1 258873050 573672983 /nfs/dbraw/zinc/67/29/83/573672983.db2.gz JTXOPVCVBNBMOJ-UHFFFAOYSA-N 2 3 197.326 0.137 10 0 ACAEHP C[C@H](CN)C[NH2+]CC1CC[NH+](C)CC1 258869094 573670616 /nfs/dbraw/zinc/67/06/16/573670616.db2.gz ZNVGASUAHWANNG-SNVBAGLBSA-N 2 3 199.342 0.513 10 0 ACAEHP NC[C@H](C[NH2+]C1CCC1)[C@@H]1CC[NH2+]C1 258076558 573671615 /nfs/dbraw/zinc/67/16/15/573671615.db2.gz IYVNHKSZAXRGAH-NXEZZACHSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@@H](C[NH2+]C1CCC1)[C@@H]1CC[NH2+]C1 258076576 573671655 /nfs/dbraw/zinc/67/16/55/573671655.db2.gz IYVNHKSZAXRGAH-ZJUUUORDSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@H](C[NH+]1CCCC1)[C@H]1CC[NH2+]C1 258076378 573671901 /nfs/dbraw/zinc/67/19/01/573671901.db2.gz IXUNEQMHBMQCQQ-WDEREUQCSA-N 2 3 197.326 0.267 10 0 ACAEHP NC[C@H](C[NH2+]C1CCC1)[C@H]1CC[NH2+]C1 258076571 573672187 /nfs/dbraw/zinc/67/21/87/573672187.db2.gz IYVNHKSZAXRGAH-VHSXEESVSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@@H](C[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 258076367 573673288 /nfs/dbraw/zinc/67/32/88/573673288.db2.gz IXUNEQMHBMQCQQ-MNOVXSKESA-N 2 3 197.326 0.267 10 0 ACAEHP NC[C@@H](C[NH+]1CCCC1)[C@H]1CC[NH2+]C1 258076373 573673374 /nfs/dbraw/zinc/67/33/74/573673374.db2.gz IXUNEQMHBMQCQQ-QWRGUYRKSA-N 2 3 197.326 0.267 10 0 ACAEHP C[C@@H](CN)C[NH2+]CC1CC[NH+](C)CC1 258869092 573674791 /nfs/dbraw/zinc/67/47/91/573674791.db2.gz ZNVGASUAHWANNG-JTQLQIEISA-N 2 3 199.342 0.513 10 0 ACAEHP NC[C@@H](C[NH2+]C1CCC1)[C@H]1CC[NH2+]C1 258076566 573675019 /nfs/dbraw/zinc/67/50/19/573675019.db2.gz IYVNHKSZAXRGAH-UWVGGRQHSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@H](C[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 258076362 573675128 /nfs/dbraw/zinc/67/51/28/573675128.db2.gz IXUNEQMHBMQCQQ-GHMZBOCLSA-N 2 3 197.326 0.267 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])CCC[NH3+])C1 259556512 573684565 /nfs/dbraw/zinc/68/45/65/573684565.db2.gz XUOUUNPYVBTTIZ-DTWKUNHWSA-N 2 3 171.288 0.004 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])CCC[NH3+])C1 259556516 573685000 /nfs/dbraw/zinc/68/50/00/573685000.db2.gz XUOUUNPYVBTTIZ-IUCAKERBSA-N 2 3 171.288 0.004 10 0 ACAEHP CN1CC[C@@H]([C@H]([NH3+])CCC[NH3+])C1 259556517 573688103 /nfs/dbraw/zinc/68/81/03/573688103.db2.gz XUOUUNPYVBTTIZ-RKDXNWHRSA-N 2 3 171.288 0.004 10 0 ACAEHP CN1CC[C@@H]([C@@H]([NH3+])CCC[NH3+])C1 259556509 573689080 /nfs/dbraw/zinc/68/90/80/573689080.db2.gz XUOUUNPYVBTTIZ-BDAKNGLRSA-N 2 3 171.288 0.004 10 0 ACAEHP CC[NH+]1CCC([C@@H]([NH3+])CNC)CC1 258085071 573692738 /nfs/dbraw/zinc/69/27/38/573692738.db2.gz JKDVCFAGSWOVAE-JTQLQIEISA-N 2 3 185.315 0.265 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])C[C@@H]2CC[NH2+]C2)C1 259558437 573699302 /nfs/dbraw/zinc/69/93/02/573699302.db2.gz XWKGIECRSODZIB-DCAQKATOSA-N 2 3 197.326 0.265 10 0 ACAEHP CNCC[C@H]([NH2+]C)C1CC[NH+](C)CC1 259171856 573701239 /nfs/dbraw/zinc/70/12/39/573701239.db2.gz CJIKTYSUKJVBNE-NSHDSACASA-N 2 3 199.342 0.526 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])C[C@H]2CC[NH2+]C2)C1 259558442 573701939 /nfs/dbraw/zinc/70/19/39/573701939.db2.gz XWKGIECRSODZIB-OUAUKWLOSA-N 2 3 197.326 0.265 10 0 ACAEHP [NH3+][C@@H]1CC[C@@H](C[NH2+]C2CCNCC2)C1 257870240 573761271 /nfs/dbraw/zinc/76/12/71/573761271.db2.gz SUMFTYPBYBPEKW-NXEZZACHSA-N 2 3 197.326 0.455 10 0 ACAEHP [NH3+][C@H]1CC[C@@H](C[NH2+]C2CCNCC2)C1 257870244 573764549 /nfs/dbraw/zinc/76/45/49/573764549.db2.gz SUMFTYPBYBPEKW-ZJUUUORDSA-N 2 3 197.326 0.455 10 0 ACAEHP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCNCC2)C1 257870242 573764935 /nfs/dbraw/zinc/76/49/35/573764935.db2.gz SUMFTYPBYBPEKW-VHSXEESVSA-N 2 3 197.326 0.455 10 0 ACAEHP C[C@H]([NH3+])CC[C@H]([NH3+])[C@H]1CCN(C)C1 259566485 573765821 /nfs/dbraw/zinc/76/58/21/573765821.db2.gz YIIVYBRALYKSBR-GUBZILKMSA-N 2 3 185.315 0.393 10 0 ACAEHP C[C@H]([NH3+])CC[C@H]([NH3+])[C@@H]1CCN(C)C1 259566482 573766386 /nfs/dbraw/zinc/76/63/86/573766386.db2.gz YIIVYBRALYKSBR-AEJSXWLSSA-N 2 3 185.315 0.393 10 0 ACAEHP C[C@H]([NH3+])CC[C@@H]([NH3+])[C@@H]1CCN(C)C1 259566489 573766727 /nfs/dbraw/zinc/76/67/27/573766727.db2.gz YIIVYBRALYKSBR-IVZWLZJFSA-N 2 3 185.315 0.393 10 0 ACAEHP C[NH2+]CCC[C@H]([NH3+])[C@H]1CCCN(C)C1 259198943 573812625 /nfs/dbraw/zinc/81/26/25/573812625.db2.gz FXSYAZFKQFWKEX-QWRGUYRKSA-N 2 3 199.342 0.655 10 0 ACAEHP CC[N@@H+](C/C=C\C[NH3+])CCCN(C)C 308444057 573813461 /nfs/dbraw/zinc/81/34/61/573813461.db2.gz MEKLTGYKDDTGPQ-WAYWQWQTSA-N 2 3 199.342 0.775 10 0 ACAEHP CC[N@H+](C/C=C\C[NH3+])CCCN(C)C 308444057 573813468 /nfs/dbraw/zinc/81/34/68/573813468.db2.gz MEKLTGYKDDTGPQ-WAYWQWQTSA-N 2 3 199.342 0.775 10 0 ACAEHP C[NH2+]CCC[C@H]([NH3+])[C@@H]1CCCN(C)C1 259198940 573815351 /nfs/dbraw/zinc/81/53/51/573815351.db2.gz FXSYAZFKQFWKEX-MNOVXSKESA-N 2 3 199.342 0.655 10 0 ACAEHP C[NH2+]CCC[C@@H]([NH3+])[C@@H]1CCCN(C)C1 259198935 573815795 /nfs/dbraw/zinc/81/57/95/573815795.db2.gz FXSYAZFKQFWKEX-GHMZBOCLSA-N 2 3 199.342 0.655 10 0 ACAEHP C[NH+]1CCC([C@H](N)C2([NH3+])CC2)CC1 259214597 573862994 /nfs/dbraw/zinc/86/29/94/573862994.db2.gz DYEMWDLTSGFGHI-VIFPVBQESA-N 2 3 183.299 0.147 10 0 ACAEHP [NH3+]CC1CC[NH+](C2CCNCC2)CC1 238548214 573863773 /nfs/dbraw/zinc/86/37/73/573863773.db2.gz PJEQDSVHKJTUTM-UHFFFAOYSA-N 2 3 197.326 0.409 10 0 ACAEHP CC[C@@H](C)[NH+]1CCC(CN)(C[NH3+])CC1 259219026 573887280 /nfs/dbraw/zinc/88/72/80/573887280.db2.gz GRKWYDMRQPXLIT-SNVBAGLBSA-N 2 3 199.342 0.785 10 0 ACAEHP CC(C)[NH+]1CCC(CN)(C[NH3+])CC1 259231651 573903612 /nfs/dbraw/zinc/90/36/12/573903612.db2.gz HJYCQUKJOPDAQL-UHFFFAOYSA-N 2 3 185.315 0.394 10 0 ACAEHP C[NH+](C)CCCC[N@@H+]1CCCNCC1 41680466 573907928 /nfs/dbraw/zinc/90/79/28/573907928.db2.gz MWACZJPRLOREND-UHFFFAOYSA-N 2 3 199.342 0.624 10 0 ACAEHP C[NH+](C)CCCC[N@H+]1CCCNCC1 41680466 573907932 /nfs/dbraw/zinc/90/79/32/573907932.db2.gz MWACZJPRLOREND-UHFFFAOYSA-N 2 3 199.342 0.624 10 0 ACAEHP CN1CC[C@@H]([C@H]([NH3+])CC(C)(C)C[NH3+])C1 259581065 573911927 /nfs/dbraw/zinc/91/19/27/573911927.db2.gz ZEGTXMVQRIGQQD-NXEZZACHSA-N 2 3 199.342 0.640 10 0 ACAEHP CN1CC[C@@H]([C@H]([NH3+])CCC(C)(C)[NH3+])C1 259235983 573912379 /nfs/dbraw/zinc/91/23/79/573912379.db2.gz HLIDZKNVKNSOMV-NXEZZACHSA-N 2 3 199.342 0.783 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])CCC(C)(C)[NH3+])C1 259235986 573912498 /nfs/dbraw/zinc/91/24/98/573912498.db2.gz HLIDZKNVKNSOMV-UWVGGRQHSA-N 2 3 199.342 0.783 10 0 ACAEHP C[NH+]1CCC([C@@H]([NH3+])CCN)CC1 259581361 573916238 /nfs/dbraw/zinc/91/62/38/573916238.db2.gz ZFOCZXVAKKDKGG-VIFPVBQESA-N 2 3 171.288 0.004 10 0 ACAEHP C[N@@H+]1CC[C@H](CC[NH2+]CC2CNC2)C1 259010673 573927330 /nfs/dbraw/zinc/92/73/30/573927330.db2.gz XPGQCXADNQTVGM-JTQLQIEISA-N 2 3 197.326 0.137 10 0 ACAEHP C[N@H+]1CC[C@H](CC[NH2+]CC2CNC2)C1 259010673 573927333 /nfs/dbraw/zinc/92/73/33/573927333.db2.gz XPGQCXADNQTVGM-JTQLQIEISA-N 2 3 197.326 0.137 10 0 ACAEHP C[C@@H]1[C@H](C[NH3+])CC[N@@H+]1CCCN(C)C 259252544 573960299 /nfs/dbraw/zinc/96/02/99/573960299.db2.gz FGLQJGMKUAGLCE-MNOVXSKESA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@@H]1[C@H](C[NH3+])CC[N@H+]1CCCN(C)C 259252544 573960305 /nfs/dbraw/zinc/96/03/05/573960305.db2.gz FGLQJGMKUAGLCE-MNOVXSKESA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1CCCN(C)C 259252538 573961444 /nfs/dbraw/zinc/96/14/44/573961444.db2.gz FGLQJGMKUAGLCE-GHMZBOCLSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@@H]1[C@@H](C[NH3+])CC[N@H+]1CCCN(C)C 259252538 573961451 /nfs/dbraw/zinc/96/14/51/573961451.db2.gz FGLQJGMKUAGLCE-GHMZBOCLSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@H]1[C@H](C[NH3+])CC[N@@H+]1CCCN(C)C 259252549 573965364 /nfs/dbraw/zinc/96/53/64/573965364.db2.gz FGLQJGMKUAGLCE-QWRGUYRKSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@H]1[C@H](C[NH3+])CC[N@H+]1CCCN(C)C 259252549 573965370 /nfs/dbraw/zinc/96/53/70/573965370.db2.gz FGLQJGMKUAGLCE-QWRGUYRKSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@H]1[C@@H](C[NH3+])CC[N@@H+]1CCCN(C)C 259252556 573965388 /nfs/dbraw/zinc/96/53/88/573965388.db2.gz FGLQJGMKUAGLCE-WDEREUQCSA-N 2 3 199.342 0.607 10 0 ACAEHP C[C@H]1[C@@H](C[NH3+])CC[N@H+]1CCCN(C)C 259252556 573965394 /nfs/dbraw/zinc/96/53/94/573965394.db2.gz FGLQJGMKUAGLCE-WDEREUQCSA-N 2 3 199.342 0.607 10 0 ACAEHP C[NH+](C)CCCC[NH2+]C1CCNCC1 45664215 573991966 /nfs/dbraw/zinc/99/19/66/573991966.db2.gz WJDOQVKRQGQBJW-UHFFFAOYSA-N 2 3 199.342 0.670 10 0 ACAEHP CC[C@H](CN)[C@@H]([NH3+])C1CC[NH+](C)CC1 259264136 573998443 /nfs/dbraw/zinc/99/84/43/573998443.db2.gz GXBDEBPRPIGQRR-MWLCHTKSSA-N 2 3 199.342 0.640 10 0 ACAEHP C[NH+](C)CCCC[N@@H+]1CC[C@@H](CN)C1 45707302 573998630 /nfs/dbraw/zinc/99/86/30/573998630.db2.gz VNNGHYVUMKQTPX-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+](C)CCCC[N@H+]1CC[C@@H](CN)C1 45707302 573998635 /nfs/dbraw/zinc/99/86/35/573998635.db2.gz VNNGHYVUMKQTPX-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP CC[C@H](CN)[C@H]([NH3+])C1CC[NH+](C)CC1 259264133 574000086 /nfs/dbraw/zinc/00/00/86/574000086.db2.gz GXBDEBPRPIGQRR-KOLCDFICSA-N 2 3 199.342 0.640 10 0 ACAEHP CCC[C@H]([NH3+])C1CC[NH+](CCN)CC1 259288119 574035400 /nfs/dbraw/zinc/03/54/00/574035400.db2.gz JPBAPWPHPTXJMF-NSHDSACASA-N 2 3 199.342 0.785 10 0 ACAEHP CCC[C@@H]([NH3+])C1CC[NH+](CCN)CC1 259288114 574035753 /nfs/dbraw/zinc/03/57/53/574035753.db2.gz JPBAPWPHPTXJMF-LLVKDONJSA-N 2 3 199.342 0.785 10 0 ACAEHP NC[C@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 757207627 582472256 /nfs/dbraw/zinc/47/22/56/582472256.db2.gz BJBBVZQFDCBAAI-KOLCDFICSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@@H]1CC[C@H](C2CC[NH2+]CC2)[NH2+]C1 757207625 582472264 /nfs/dbraw/zinc/47/22/64/582472264.db2.gz BJBBVZQFDCBAAI-GXSJLCMTSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@H]1CC[C@H](C2CC[NH2+]CC2)[NH2+]C1 757207637 582472549 /nfs/dbraw/zinc/47/25/49/582472549.db2.gz BJBBVZQFDCBAAI-MWLCHTKSSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 757207656 582472654 /nfs/dbraw/zinc/47/26/54/582472654.db2.gz BJBBVZQFDCBAAI-ONGXEEELSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@H]1C[NH2+]C[C@@H](C2CC[NH2+]CC2)C1 757218580 582472919 /nfs/dbraw/zinc/47/29/19/582472919.db2.gz UXAJZOXTVULFAT-ONGXEEELSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@H]1C[NH2+]C[C@H](C2CC[NH2+]CC2)C1 757218577 582473026 /nfs/dbraw/zinc/47/30/26/582473026.db2.gz UXAJZOXTVULFAT-GXSJLCMTSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@@H]1C[NH2+]C[C@@H](C2CC[NH2+]CC2)C1 757218578 582473069 /nfs/dbraw/zinc/47/30/69/582473069.db2.gz UXAJZOXTVULFAT-KOLCDFICSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@@H]1C[NH2+]C[C@H](C2CC[NH2+]CC2)C1 757218579 582473088 /nfs/dbraw/zinc/47/30/88/582473088.db2.gz UXAJZOXTVULFAT-MWLCHTKSSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 903423412 582624499 /nfs/dbraw/zinc/62/44/99/582624499.db2.gz UYZMGUOJFPYTNQ-MXWKQRLJSA-N 2 3 197.326 0.394 10 0 ACAEHP NC[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 903423412 582624500 /nfs/dbraw/zinc/62/45/00/582624500.db2.gz UYZMGUOJFPYTNQ-MXWKQRLJSA-N 2 3 197.326 0.394 10 0 ACAEHP C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1[NH3+] 903453881 582624537 /nfs/dbraw/zinc/62/45/37/582624537.db2.gz OKBIWZIXVOLBQQ-CHWFTXMASA-N 2 3 197.326 0.393 10 0 ACAEHP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC[C@H]([NH3+])C1 903452706 582624712 /nfs/dbraw/zinc/62/47/12/582624712.db2.gz RHLBBMNLCWRNJP-VLEAKVRGSA-N 2 3 197.326 0.535 10 0 ACAEHP C[NH2+]CCCN(C)C[C@@H]1CC[C@H]([NH3+])C1 903459133 582624801 /nfs/dbraw/zinc/62/48/01/582624801.db2.gz COTLOJVEMYNQBZ-MNOVXSKESA-N 2 3 199.342 0.655 10 0 ACAEHP CNCCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903459133 582624802 /nfs/dbraw/zinc/62/48/02/582624802.db2.gz COTLOJVEMYNQBZ-MNOVXSKESA-N 2 3 199.342 0.655 10 0 ACAEHP CNCCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903459133 582624804 /nfs/dbraw/zinc/62/48/04/582624804.db2.gz COTLOJVEMYNQBZ-MNOVXSKESA-N 2 3 199.342 0.655 10 0 ACAEHP CN(C[C@@H]1CC[C@H]([NH3+])C1)C1CC([NH3+])C1 903454245 582625165 /nfs/dbraw/zinc/62/51/65/582625165.db2.gz YAPRUEYXXXHWEF-MFQSTILNSA-N 2 3 197.326 0.535 10 0 ACAEHP C[C@H]1C[C@H]([NH3+])CN1C[C@@H]1CC[C@H]([NH3+])C1 903476858 582625194 /nfs/dbraw/zinc/62/51/94/582625194.db2.gz MCOWTBPKWCYTSE-VLEAKVRGSA-N 2 3 197.326 0.535 10 0 ACAEHP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CC[C@H]([NH3+])C1 903476857 582625270 /nfs/dbraw/zinc/62/52/70/582625270.db2.gz MCOWTBPKWCYTSE-CHWFTXMASA-N 2 3 197.326 0.535 10 0 ACAEHP CNCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 903499213 582625675 /nfs/dbraw/zinc/62/56/75/582625675.db2.gz KOGZPKCOXJLSHD-GHMZBOCLSA-N 2 3 199.342 0.513 10 0 ACAEHP CNCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 903499213 582625677 /nfs/dbraw/zinc/62/56/77/582625677.db2.gz KOGZPKCOXJLSHD-GHMZBOCLSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@@H]1C[N@H+](CCCN)C[C@H]1CC[NH3+] 903499181 582625690 /nfs/dbraw/zinc/62/56/90/582625690.db2.gz IOVMVECWVLJTCR-NXEZZACHSA-N 2 3 185.315 0.252 10 0 ACAEHP C[C@@H]1C[N@@H+](CCCN)C[C@H]1CC[NH3+] 903499181 582625692 /nfs/dbraw/zinc/62/56/92/582625692.db2.gz IOVMVECWVLJTCR-NXEZZACHSA-N 2 3 185.315 0.252 10 0 ACAEHP C[C@@H]1CN(CCC[NH3+])C[C@H]1CC[NH3+] 903499181 582625694 /nfs/dbraw/zinc/62/56/94/582625694.db2.gz IOVMVECWVLJTCR-NXEZZACHSA-N 2 3 185.315 0.252 10 0 ACAEHP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CC[C@H]([NH3+])C1 903476859 582625750 /nfs/dbraw/zinc/62/57/50/582625750.db2.gz MCOWTBPKWCYTSE-ZNSHCXBVSA-N 2 3 197.326 0.535 10 0 ACAEHP C[C@H]1C[C@@H]([NH3+])CN1C[C@@H]1CC[C@H]([NH3+])C1 903476860 582625993 /nfs/dbraw/zinc/62/59/93/582625993.db2.gz MCOWTBPKWCYTSE-ZRUFSTJUSA-N 2 3 197.326 0.535 10 0 ACAEHP C[NH2+]CCNCC1C[C@@H]2CC[C@H](C1)[NH2+]2 903918450 582630304 /nfs/dbraw/zinc/63/03/04/582630304.db2.gz ZSZLFKFSLAXHHW-FGWVZKOKSA-N 2 3 197.326 0.326 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCNC1 903978422 582630526 /nfs/dbraw/zinc/63/05/26/582630526.db2.gz FCURRUCEEAPREY-GMTAPVOTSA-N 2 3 197.326 0.184 10 0 ACAEHP C[C@@H]1CNC[C@H]1[NH2+]C1CCC([NH3+])CC1 903964118 582630575 /nfs/dbraw/zinc/63/05/75/582630575.db2.gz MFMDZKIWSJWYGF-AGVGLQIMSA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1CNC[C@H]1[NH2+]CC1CC[NH2+]CC1 903964429 582630771 /nfs/dbraw/zinc/63/07/71/582630771.db2.gz QOIOCHFXKNYXQC-MWLCHTKSSA-N 2 3 197.326 0.184 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CCCN 903979058 582630895 /nfs/dbraw/zinc/63/08/95/582630895.db2.gz UJVDENLXOOFDAJ-NXEZZACHSA-N 2 3 185.315 0.170 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCNC1 903978423 582631149 /nfs/dbraw/zinc/63/11/49/582631149.db2.gz FCURRUCEEAPREY-MXWKQRLJSA-N 2 3 197.326 0.184 10 0 ACAEHP [NH3+]C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCNC2)C1 757213655 582951928 /nfs/dbraw/zinc/95/19/28/582951928.db2.gz LILGATISADVIMX-GMTAPVOTSA-N 2 3 197.326 0.313 10 0 ACAEHP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@@H]2CCCNC2)C1 757213656 582951970 /nfs/dbraw/zinc/95/19/70/582951970.db2.gz LILGATISADVIMX-MXWKQRLJSA-N 2 3 197.326 0.313 10 0 ACAEHP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@H]2CCCNC2)C1 757213659 582952060 /nfs/dbraw/zinc/95/20/60/582952060.db2.gz LILGATISADVIMX-VWYCJHECSA-N 2 3 197.326 0.313 10 0 ACAEHP [NH3+]C[C@@H]1CC[NH2+][C@@H]([C@H]2CCCNC2)C1 757213657 582952289 /nfs/dbraw/zinc/95/22/89/582952289.db2.gz LILGATISADVIMX-OUAUKWLOSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCC[NH2+]C2)C1 757216488 582952754 /nfs/dbraw/zinc/95/27/54/582952754.db2.gz PUGOQJSAUVOFKM-MXWKQRLJSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@@H]1C[NH2+]C[C@H]([C@H]2CCC[NH2+]C2)C1 757216489 582952764 /nfs/dbraw/zinc/95/27/64/582952764.db2.gz PUGOQJSAUVOFKM-OUAUKWLOSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@@H]1C[NH2+]C[C@@H]([C@H]2CCC[NH2+]C2)C1 757216490 582953408 /nfs/dbraw/zinc/95/34/08/582953408.db2.gz PUGOQJSAUVOFKM-VWYCJHECSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@@H]1C[NH2+]C[C@H]([C@@H]2CCC[NH2+]C2)C1 757216487 582953473 /nfs/dbraw/zinc/95/34/73/582953473.db2.gz PUGOQJSAUVOFKM-GMTAPVOTSA-N 2 3 197.326 0.170 10 0 ACAEHP NC[C@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 757217786 582954177 /nfs/dbraw/zinc/95/41/77/582954177.db2.gz SHTHWIWJJFCDMF-MNOVXSKESA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 757217787 582954187 /nfs/dbraw/zinc/95/41/87/582954187.db2.gz SHTHWIWJJFCDMF-QWRGUYRKSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 757217785 582954736 /nfs/dbraw/zinc/95/47/36/582954736.db2.gz SHTHWIWJJFCDMF-GHMZBOCLSA-N 2 3 197.326 0.313 10 0 ACAEHP NC[C@@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 757217788 582954857 /nfs/dbraw/zinc/95/48/57/582954857.db2.gz SHTHWIWJJFCDMF-WDEREUQCSA-N 2 3 197.326 0.313 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2CCNC[C@@H]2[NH3+])CC[NH2+]1 757229700 582955074 /nfs/dbraw/zinc/95/50/74/582955074.db2.gz FDALYPHPCGNWNP-ZNSHCXBVSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2CNC[C@@H]([NH3+])C2)CC[NH2+]1 757231088 582955141 /nfs/dbraw/zinc/95/51/41/582955141.db2.gz GJKDVBVKIOFHOM-DBIOUOCHSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2C[C@H](N)CC[NH2+]2)CC[NH2+]1 757232392 582955205 /nfs/dbraw/zinc/95/52/05/582955205.db2.gz IDSASBKRSYZHJS-DBIOUOCHSA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2C[C@H]([NH3+])CCN2)CC[NH2+]1 757232392 582955209 /nfs/dbraw/zinc/95/52/09/582955209.db2.gz IDSASBKRSYZHJS-DBIOUOCHSA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2CCNC[C@H]2[NH3+])CC[NH2+]1 757229693 582955239 /nfs/dbraw/zinc/95/52/39/582955239.db2.gz FDALYPHPCGNWNP-GWOFURMSSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2CCNC[C@@H]2[NH3+])CC[NH2+]1 757229681 582955259 /nfs/dbraw/zinc/95/52/59/582955259.db2.gz FDALYPHPCGNWNP-DBIOUOCHSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2CNCC[C@@H]2[NH3+])CC[NH2+]1 757231083 582955266 /nfs/dbraw/zinc/95/52/66/582955266.db2.gz GJHMNPNRWGZICV-ZNSHCXBVSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2C[NH2+]CC[C@@H]2N)CC[NH2+]1 757231083 582955268 /nfs/dbraw/zinc/95/52/68/582955268.db2.gz GJHMNPNRWGZICV-ZNSHCXBVSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2CNC[C@H]([NH3+])C2)CC[NH2+]1 757231086 582955360 /nfs/dbraw/zinc/95/53/60/582955360.db2.gz GJKDVBVKIOFHOM-CHWFTXMASA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2C[C@@H](N)CC[NH2+]2)CC[NH2+]1 757232389 582955404 /nfs/dbraw/zinc/95/54/04/582955404.db2.gz IDSASBKRSYZHJS-CHWFTXMASA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2C[C@@H]([NH3+])CCN2)CC[NH2+]1 757232389 582955406 /nfs/dbraw/zinc/95/54/06/582955406.db2.gz IDSASBKRSYZHJS-CHWFTXMASA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2CNCC[C@H]2[NH3+])CC[NH2+]1 757231080 582955514 /nfs/dbraw/zinc/95/55/14/582955514.db2.gz GJHMNPNRWGZICV-GWOFURMSSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2C[NH2+]CC[C@H]2N)CC[NH2+]1 757231080 582955516 /nfs/dbraw/zinc/95/55/16/582955516.db2.gz GJHMNPNRWGZICV-GWOFURMSSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2C[C@H](N)CC[NH2+]2)CC[NH2+]1 757232395 582955539 /nfs/dbraw/zinc/95/55/39/582955539.db2.gz IDSASBKRSYZHJS-GWOFURMSSA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2C[C@H]([NH3+])CCN2)CC[NH2+]1 757232395 582955542 /nfs/dbraw/zinc/95/55/42/582955542.db2.gz IDSASBKRSYZHJS-GWOFURMSSA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2C[C@@H](N)CC[NH2+]2)CC[NH2+]1 757232399 582955689 /nfs/dbraw/zinc/95/56/89/582955689.db2.gz IDSASBKRSYZHJS-ZNSHCXBVSA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2C[C@@H]([NH3+])CCN2)CC[NH2+]1 757232399 582955690 /nfs/dbraw/zinc/95/56/90/582955690.db2.gz IDSASBKRSYZHJS-ZNSHCXBVSA-N 2 3 197.326 0.454 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2CNC[C@@H]([NH3+])C2)CC[NH2+]1 757231091 582955711 /nfs/dbraw/zinc/95/57/11/582955711.db2.gz GJKDVBVKIOFHOM-ZNSHCXBVSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2CNC[C@H]([NH3+])C2)CC[NH2+]1 757231090 582955723 /nfs/dbraw/zinc/95/57/23/582955723.db2.gz GJKDVBVKIOFHOM-GWOFURMSSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2CCNC[C@H]2[NH3+])CC[NH2+]1 757229666 582955732 /nfs/dbraw/zinc/95/57/32/582955732.db2.gz FDALYPHPCGNWNP-CHWFTXMASA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2CNCC[C@@H]2[NH3+])CC[NH2+]1 757231075 582955753 /nfs/dbraw/zinc/95/57/53/582955753.db2.gz GJHMNPNRWGZICV-DBIOUOCHSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@H]2C[NH2+]CC[C@@H]2N)CC[NH2+]1 757231075 582955756 /nfs/dbraw/zinc/95/57/56/582955756.db2.gz GJHMNPNRWGZICV-DBIOUOCHSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2CNCC[C@H]2[NH3+])CC[NH2+]1 757231071 582955860 /nfs/dbraw/zinc/95/58/60/582955860.db2.gz GJHMNPNRWGZICV-CHWFTXMASA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]1C[C@H]([C@@H]2C[NH2+]CC[C@H]2N)CC[NH2+]1 757231071 582955863 /nfs/dbraw/zinc/95/58/63/582955863.db2.gz GJHMNPNRWGZICV-CHWFTXMASA-N 2 3 197.326 0.311 10 0 ACAEHP NCC1(C[NH2+]CCCCCC[NH3+])CC1 843127548 583132518 /nfs/dbraw/zinc/13/25/18/583132518.db2.gz DWSIISMJNNBXEK-UHFFFAOYSA-N 2 3 199.342 0.834 10 0 ACAEHP CC[NH2+]CCCC[NH2+]CCCN 3581247 167263131 /nfs/dbraw/zinc/26/31/31/167263131.db2.gz NBQCAFSSDFAIKS-UHFFFAOYSA-N 2 3 173.304 0.315 10 0 ACAEHP CCNCCC[NH2+]CCCC[NH3+] 13516597 167263971 /nfs/dbraw/zinc/26/39/71/167263971.db2.gz VNRFKJPUPRCQEV-UHFFFAOYSA-N 2 3 173.304 0.315 10 0 ACAEHP CC[NH2+]CCCNCCCC[NH3+] 13516597 167263973 /nfs/dbraw/zinc/26/39/73/167263973.db2.gz VNRFKJPUPRCQEV-UHFFFAOYSA-N 2 3 173.304 0.315 10 0 ACAEHP C[C@@H](CCN)[NH2+]CCCC[NH3+] 95566165 168340205 /nfs/dbraw/zinc/34/02/05/168340205.db2.gz NGOFSWSTGXYWOZ-QMMMGPOBSA-N 2 3 159.277 0.052 10 0 ACAEHP C[C@@H](N)C[NH+]1CCC2(CC[NH2+]C2)CC1 307221950 168362410 /nfs/dbraw/zinc/36/24/10/168362410.db2.gz QFEKSGIIKAHXCS-SNVBAGLBSA-N 2 3 197.326 0.409 10 0 ACAEHP [NH3+]CCCC[NH2+]C1CCNCC1 38041466 169181971 /nfs/dbraw/zinc/18/19/71/169181971.db2.gz WUYILHZFIHYBKA-UHFFFAOYSA-N 2 3 171.288 0.067 10 0 ACAEHP [NH3+]CCCN1CCC2(CC[NH2+]C2)CC1 335448738 169182614 /nfs/dbraw/zinc/18/26/14/169182614.db2.gz QRXMIMRNTPVBCE-UHFFFAOYSA-N 2 3 197.326 0.411 10 0 ACAEHP [NH3+]CCCN1CC[C@@H]2C[NH2+]C[C@@H]2CC1 335449181 169183396 /nfs/dbraw/zinc/18/33/96/169183396.db2.gz XJVVPRKQKWWCRR-PHIMTYICSA-N 2 3 197.326 0.267 10 0 ACAEHP [NH3+]CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 307310394 345962405 /nfs/dbraw/zinc/96/24/05/345962405.db2.gz FWDJYLGUGMGQSY-LLVKDONJSA-N 2 3 197.326 0.267 10 0 ACAEHP C[C@H](N)CC[NH2+]C1CCC(C[NH3+])CC1 622044318 347235551 /nfs/dbraw/zinc/23/55/51/347235551.db2.gz ASMZWZPEDZVWMC-WHXUTIOJSA-N 2 3 199.342 0.831 10 0 ACAEHP C[C@@H]1NCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] 629543799 347347349 /nfs/dbraw/zinc/34/73/49/347347349.db2.gz BNZMHAVKVZVQIB-OUAUKWLOSA-N 2 3 199.342 0.844 10 0 ACAEHP C[N@H+](CCCN)CCCC[NH3+] 14712784 343039782 /nfs/dbraw/zinc/03/97/82/343039782.db2.gz AJVLOCDDVDBRHR-UHFFFAOYSA-N 2 3 159.277 0.006 10 0 ACAEHP C[N@@H+](CCCN)CCCC[NH3+] 14712784 343039784 /nfs/dbraw/zinc/03/97/84/343039784.db2.gz AJVLOCDDVDBRHR-UHFFFAOYSA-N 2 3 159.277 0.006 10 0 ACAEHP CN(CCC[NH3+])CCCC[NH3+] 14712784 343039785 /nfs/dbraw/zinc/03/97/85/343039785.db2.gz AJVLOCDDVDBRHR-UHFFFAOYSA-N 2 3 159.277 0.006 10 0 ACAEHP CN(C)Cc1cc(C[NH3+])cc(C[NH3+])c1 117385853 343772903 /nfs/dbraw/zinc/77/29/03/343772903.db2.gz HAJZQVXUAYCWIK-UHFFFAOYSA-N 2 3 193.294 0.666 10 0 ACAEHP [NH3+]C1CCC([NH2+]C[C@@H]2CCCN2)CC1 236203219 344777460 /nfs/dbraw/zinc/77/74/60/344777460.db2.gz QUTGBJQCYXOYPY-ILDUYXDCSA-N 2 3 197.326 0.598 10 0 ACAEHP [NH3+]C1CCC([NH2+]C[C@H]2CCCN2)CC1 236203485 344777572 /nfs/dbraw/zinc/77/75/72/344777572.db2.gz QUTGBJQCYXOYPY-VQXHTEKXSA-N 2 3 197.326 0.598 10 0 ACAEHP [NH3+][C@H]1CCN(C[C@H]2CC[C@@H]([NH3+])C2)C1 306192273 345082366 /nfs/dbraw/zinc/08/23/66/345082366.db2.gz JHBFVYUFUUWENT-AEJSXWLSSA-N 2 3 183.299 0.147 10 0 ACAEHP [NH3+][C@H]1CCN(C[C@@H]2CC[C@@H]([NH3+])C2)C1 306192274 345082441 /nfs/dbraw/zinc/08/24/41/345082441.db2.gz JHBFVYUFUUWENT-BBBLOLIVSA-N 2 3 183.299 0.147 10 0 ACAEHP [NH3+][C@H]1CC[C@H](CN2CC[C@H]([NH3+])C2)C1 306192275 345082484 /nfs/dbraw/zinc/08/24/84/345082484.db2.gz JHBFVYUFUUWENT-GUBZILKMSA-N 2 3 183.299 0.147 10 0 ACAEHP [NH3+][C@H]1CC[C@@H](CN2CC[C@H]([NH3+])C2)C1 306192276 345082563 /nfs/dbraw/zinc/08/25/63/345082563.db2.gz JHBFVYUFUUWENT-UTLUCORTSA-N 2 3 183.299 0.147 10 0 ACAEHP C[C@H]1CN(CC2CC[NH2+]CC2)C[C@H]1[NH3+] 307137719 345831775 /nfs/dbraw/zinc/83/17/75/345831775.db2.gz XTHSEPRKMPOJMT-GXSJLCMTSA-N 2 3 197.326 0.265 10 0 ACAEHP C[C@H]1CN(CC2CC[NH2+]CC2)C[C@@H]1[NH3+] 307137722 345832059 /nfs/dbraw/zinc/83/20/59/345832059.db2.gz XTHSEPRKMPOJMT-ONGXEEELSA-N 2 3 197.326 0.265 10 0 ACAEHP C[C@H](N)C[NH+]1CCC2(CC[NH2+]C2)CC1 307221949 345900692 /nfs/dbraw/zinc/90/06/92/345900692.db2.gz QFEKSGIIKAHXCS-JTQLQIEISA-N 2 3 197.326 0.409 10 0 ACAEHP [NH3+]CC1CCN(C[C@H]2CC[NH2+]C2)CC1 307310405 345962282 /nfs/dbraw/zinc/96/22/82/345962282.db2.gz FWDJYLGUGMGQSY-NSHDSACASA-N 2 3 197.326 0.267 10 0 ACAEHP C[C@H]1[C@H]([NH3+])CCN1CC1CC[NH2+]CC1 307754131 346222777 /nfs/dbraw/zinc/22/27/77/346222777.db2.gz YJZCLMCCXAOFJJ-GXSJLCMTSA-N 2 3 197.326 0.408 10 0 ACAEHP C[C@H]1[C@@H]([NH3+])CCN1CC1CC[NH2+]CC1 307754193 346222946 /nfs/dbraw/zinc/22/29/46/346222946.db2.gz YJZCLMCCXAOFJJ-ONGXEEELSA-N 2 3 197.326 0.408 10 0 ACAEHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN[C@H]1C 629543797 347347213 /nfs/dbraw/zinc/34/72/13/347347213.db2.gz BNZMHAVKVZVQIB-GARJFASQSA-N 2 3 199.342 0.844 10 0 ACAEHP C[C@@H]1NCC[C@H]1[NH2+]C1CCC([NH3+])CC1 629546090 347348013 /nfs/dbraw/zinc/34/80/13/347348013.db2.gz MPUZMUQBWIENEH-IDWGSYCQSA-N 2 3 197.326 0.596 10 0 ACAEHP C[C@@H]1NCC[C@H]1[NH2+]CC1CC[NH2+]CC1 629601195 347352626 /nfs/dbraw/zinc/35/26/26/347352626.db2.gz AUTHWQYVQFWGML-GXSJLCMTSA-N 2 3 197.326 0.326 10 0 ACAEHP CC(C)(N)C[NH+]1CCC(C[NH3+])CC1 306151091 351899542 /nfs/dbraw/zinc/89/95/42/351899542.db2.gz BMFVHWIREDREPP-UHFFFAOYSA-N 2 3 185.315 0.394 10 0 ACAEHP C[C@@H]1[C@H]([NH3+])CCN1CC1CC[NH2+]CC1 307754192 352038587 /nfs/dbraw/zinc/03/85/87/352038587.db2.gz YJZCLMCCXAOFJJ-MWLCHTKSSA-N 2 3 197.326 0.408 10 0 ACAEHP C[C@@H]1[C@@H]([NH3+])CCN1CC1CC[NH2+]CC1 307754132 352038840 /nfs/dbraw/zinc/03/88/40/352038840.db2.gz YJZCLMCCXAOFJJ-KOLCDFICSA-N 2 3 197.326 0.408 10 0 ACAEHP [NH3+][C@@H]1CC[C@@H](CN2CC[C@@H]([NH3+])C2)C1 306354888 371752215 /nfs/dbraw/zinc/75/22/15/371752215.db2.gz JHBFVYUFUUWENT-OPRDCNLKSA-N 2 3 183.299 0.147 10 0 ACAEHP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]([NH3+])C2)C1 306354885 371752153 /nfs/dbraw/zinc/75/21/53/371752153.db2.gz JHBFVYUFUUWENT-IVZWLZJFSA-N 2 3 183.299 0.147 10 0 ACAEHP [NH3+][C@H]1CC[C@@H](CN2CC[C@@H]([NH3+])C2)C1 306354886 371752265 /nfs/dbraw/zinc/75/22/65/371752265.db2.gz JHBFVYUFUUWENT-KXUCPTDWSA-N 2 3 183.299 0.147 10 0 ACAEHP [NH3+][C@H]1CC[C@H](CN2CC[C@@H]([NH3+])C2)C1 306354887 371752326 /nfs/dbraw/zinc/75/23/26/371752326.db2.gz JHBFVYUFUUWENT-LPEHRKFASA-N 2 3 183.299 0.147 10 0 ACAEHP C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H]1[NH3+] 307137720 375466089 /nfs/dbraw/zinc/46/60/89/375466089.db2.gz XTHSEPRKMPOJMT-KOLCDFICSA-N 2 3 197.326 0.265 10 0 ACAEHP NCC1(C[NH+]2CCC(C[NH3+])CC2)CC1 647482096 375647685 /nfs/dbraw/zinc/64/76/85/375647685.db2.gz RRCAWLUGCCQACY-UHFFFAOYSA-N 2 3 197.326 0.396 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@@H](N[C@@H](C)CCC[NH3+])C1 647548193 375660620 /nfs/dbraw/zinc/66/06/20/375660620.db2.gz YOLOODAKEGOAKZ-DCAQKATOSA-N 2 3 199.342 0.701 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@@H](N[C@H](C)CCC[NH3+])C1 647548192 375660814 /nfs/dbraw/zinc/66/08/14/375660814.db2.gz YOLOODAKEGOAKZ-AXFHLTTASA-N 2 3 199.342 0.701 10 0 ACAEHP CC(C)([NH3+])CN[C@@H]1CC12CC[NH2+]CC2 647547747 375661052 /nfs/dbraw/zinc/66/10/52/375661052.db2.gz BPTIZLPEBXDGPT-SECBINFHSA-N 2 3 197.326 0.455 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H](N[C@H](C)CCC[NH3+])C1 647548195 375661155 /nfs/dbraw/zinc/66/11/55/375661155.db2.gz YOLOODAKEGOAKZ-HBNTYKKESA-N 2 3 199.342 0.701 10 0 ACAEHP CC(C)([NH3+])CN[C@H]1CC12CC[NH2+]CC2 647547748 375661307 /nfs/dbraw/zinc/66/13/07/375661307.db2.gz BPTIZLPEBXDGPT-VIFPVBQESA-N 2 3 197.326 0.455 10 0 ACAEHP C[C@@H]1C[NH2+]C[C@H](N[C@@H](C)CCC[NH3+])C1 647548194 375661484 /nfs/dbraw/zinc/66/14/84/375661484.db2.gz YOLOODAKEGOAKZ-GARJFASQSA-N 2 3 199.342 0.701 10 0 ACAEHP C[C@@H](N)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 647979525 375681756 /nfs/dbraw/zinc/68/17/56/375681756.db2.gz BZHBHHOCGCOFAP-MXWKQRLJSA-N 2 3 197.326 0.265 10 0 ACAEHP C[C@@H](N)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 647979525 375681759 /nfs/dbraw/zinc/68/17/59/375681759.db2.gz BZHBHHOCGCOFAP-MXWKQRLJSA-N 2 3 197.326 0.265 10 0 ACAEHP C[C@H](N)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 647979524 375682165 /nfs/dbraw/zinc/68/21/65/375682165.db2.gz BZHBHHOCGCOFAP-GARJFASQSA-N 2 3 197.326 0.265 10 0 ACAEHP C[C@H](N)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 647979524 375682169 /nfs/dbraw/zinc/68/21/69/375682169.db2.gz BZHBHHOCGCOFAP-GARJFASQSA-N 2 3 197.326 0.265 10 0 ACAEHP C[NH+](C)CC1CCN(CCC[NH3+])CC1 42388547 409349891 /nfs/dbraw/zinc/34/98/91/409349891.db2.gz REUFBLMLCBNNEF-UHFFFAOYSA-N 2 3 199.342 0.609 10 0 ACAEHP C1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CN1 308928408 409758460 /nfs/dbraw/zinc/75/84/60/409758460.db2.gz IXEXGYWGADLZHO-NSHDSACASA-N 2 3 197.326 0.328 10 0 ACAEHP C1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CN1 308928406 409759589 /nfs/dbraw/zinc/75/95/89/409759589.db2.gz IXEXGYWGADLZHO-LLVKDONJSA-N 2 3 197.326 0.328 10 0 ACAEHP NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 400938637 410032077 /nfs/dbraw/zinc/03/20/77/410032077.db2.gz LEIBMBBDGMVEJY-GMTAPVOTSA-N 2 3 197.326 0.313 10 0 ACAEHP NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 400938634 410032488 /nfs/dbraw/zinc/03/24/88/410032488.db2.gz LEIBMBBDGMVEJY-GARJFASQSA-N 2 3 197.326 0.313 10 0 ACAEHP NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 400938642 410032578 /nfs/dbraw/zinc/03/25/78/410032578.db2.gz LEIBMBBDGMVEJY-HBNTYKKESA-N 2 3 197.326 0.313 10 0 ACAEHP NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 400938645 410033903 /nfs/dbraw/zinc/03/39/03/410033903.db2.gz LEIBMBBDGMVEJY-OUAUKWLOSA-N 2 3 197.326 0.313 10 0 ACAEHP [NH3+]CC1(CCN[C@H]2CCC[NH2+]C2)CC1 650714013 410275053 /nfs/dbraw/zinc/27/50/53/410275053.db2.gz MUIUAIHJVIUXNS-JTQLQIEISA-N 2 3 197.326 0.457 10 0 ACAEHP [NH3+]CC1(CC[NH2+]C2CCNCC2)CC1 650714340 410275075 /nfs/dbraw/zinc/27/50/75/410275075.db2.gz ZGKGKCGPYKEYFV-UHFFFAOYSA-N 2 3 197.326 0.457 10 0 ACAEHP NCCC[NH2+]CCC1(C[NH3+])CC1 650713838 410275558 /nfs/dbraw/zinc/27/55/58/410275558.db2.gz FHRSPORATQZKSE-UHFFFAOYSA-N 2 3 171.288 0.054 10 0 ACAEHP NCC1(C[NH2+]CCC2(C[NH3+])CC2)CC1 650713758 410275676 /nfs/dbraw/zinc/27/56/76/410275676.db2.gz AOONOTCAODDKKY-UHFFFAOYSA-N 2 3 197.326 0.444 10 0 ACAEHP [NH3+]CC1(CC[NH2+][C@@H]2CCNC2)CC1 650714002 410276025 /nfs/dbraw/zinc/27/60/25/410276025.db2.gz MLVLVPBWTBNMQV-SECBINFHSA-N 2 3 183.299 0.067 10 0 ACAEHP [NH3+]CC1(CCN[C@@H]2CCC[NH2+]C2)CC1 650714014 410276044 /nfs/dbraw/zinc/27/60/44/410276044.db2.gz MUIUAIHJVIUXNS-SNVBAGLBSA-N 2 3 197.326 0.457 10 0 ACAEHP [NH3+]CC1(CC[NH2+][C@H]2CCNC2)CC1 650714003 410276270 /nfs/dbraw/zinc/27/62/70/410276270.db2.gz MLVLVPBWTBNMQV-VIFPVBQESA-N 2 3 183.299 0.067 10 0 ACAEHP C[C@H](N)C[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 650748251 410277964 /nfs/dbraw/zinc/27/79/64/410277964.db2.gz QNGKDHQBHDLBTK-VHSXEESVSA-N 2 3 199.342 0.831 10 0 ACAEHP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CNC1 650747547 410278056 /nfs/dbraw/zinc/27/80/56/410278056.db2.gz BZOFDGBYMPDCGP-SECBINFHSA-N 2 3 197.326 0.313 10 0 ACAEHP C[C@H](N)C[C@H](C)[NH2+]CCC1(C[NH3+])CC1 650748250 410279025 /nfs/dbraw/zinc/27/90/25/410279025.db2.gz QNGKDHQBHDLBTK-UWVGGRQHSA-N 2 3 199.342 0.831 10 0 ACAEHP C[C@@H](N)C[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 650748249 410279126 /nfs/dbraw/zinc/27/91/26/410279126.db2.gz QNGKDHQBHDLBTK-NXEZZACHSA-N 2 3 199.342 0.831 10 0 ACAEHP C[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CNC1 650747548 410279221 /nfs/dbraw/zinc/27/92/21/410279221.db2.gz BZOFDGBYMPDCGP-VIFPVBQESA-N 2 3 197.326 0.313 10 0 ACAEHP C[C@@H](C[C@@H](C)N)[NH2+]CCC1(C[NH3+])CC1 650748252 410279405 /nfs/dbraw/zinc/27/94/05/410279405.db2.gz QNGKDHQBHDLBTK-ZJUUUORDSA-N 2 3 199.342 0.831 10 0 ACAEHP CC[N@@H+]1CC[C@H]([C@H](CN)C[NH2+]C)C1 258298599 573361669 /nfs/dbraw/zinc/36/16/69/573361669.db2.gz WJCCVVFXTGMJDK-VHSXEESVSA-N 2 3 185.315 0.123 10 0 ACAEHP CC[N@H+]1CC[C@H]([C@H](CN)C[NH2+]C)C1 258298599 573361676 /nfs/dbraw/zinc/36/16/76/573361676.db2.gz WJCCVVFXTGMJDK-VHSXEESVSA-N 2 3 185.315 0.123 10 0 ACAEHP CC[N@@H+]1CC[C@@H]([C@@H](CN)C[NH2+]C)C1 258298601 573361920 /nfs/dbraw/zinc/36/19/20/573361920.db2.gz WJCCVVFXTGMJDK-ZJUUUORDSA-N 2 3 185.315 0.123 10 0 ACAEHP CC[N@H+]1CC[C@@H]([C@@H](CN)C[NH2+]C)C1 258298601 573361923 /nfs/dbraw/zinc/36/19/23/573361923.db2.gz WJCCVVFXTGMJDK-ZJUUUORDSA-N 2 3 185.315 0.123 10 0 ACAEHP C[C@H]([NH3+])CC[C@H]([NH3+])[C@H]1CCCN(C)C1 259427534 573366118 /nfs/dbraw/zinc/36/61/18/573366118.db2.gz PFVYPVMOZCMADL-DCAQKATOSA-N 2 3 199.342 0.783 10 0 ACAEHP CC(C)[N@@H+]1CC[C@@H](C(CN)C[NH3+])C1 258316846 573366426 /nfs/dbraw/zinc/36/64/26/573366426.db2.gz XMAHHTCYVDCMGW-SECBINFHSA-N 2 3 185.315 0.250 10 0 ACAEHP CC(C)[N@H+]1CC[C@@H](C(CN)C[NH3+])C1 258316846 573366434 /nfs/dbraw/zinc/36/64/34/573366434.db2.gz XMAHHTCYVDCMGW-SECBINFHSA-N 2 3 185.315 0.250 10 0 ACAEHP CN(C)C[C@@H](C[NH3+])[C@@H]1CC[N@H+](C)C1 258326144 573370247 /nfs/dbraw/zinc/37/02/47/573370247.db2.gz YGGHOFAUBIPILC-NXEZZACHSA-N 2 3 185.315 0.075 10 0 ACAEHP CN(C)C[C@@H](C[NH3+])[C@@H]1CC[N@@H+](C)C1 258326144 573370251 /nfs/dbraw/zinc/37/02/51/573370251.db2.gz YGGHOFAUBIPILC-NXEZZACHSA-N 2 3 185.315 0.075 10 0 ACAEHP CN1CC[C@@H]([C@@H]([NH3+])C(C)(C)CC[NH3+])C1 259103104 573446704 /nfs/dbraw/zinc/44/67/04/573446704.db2.gz BCBWZLDPCUJUDZ-NXEZZACHSA-N 2 3 199.342 0.640 10 0 ACAEHP C[NH+]1CC[C@H](CC[N@H+](C)CCCN)C1 258675667 573485840 /nfs/dbraw/zinc/48/58/40/573485840.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+]1CC[C@H](CC[N@@H+](C)CCCN)C1 258675667 573485845 /nfs/dbraw/zinc/48/58/45/573485845.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+](CCCN)CC[C@H]1CC[N@H+](C)C1 258675667 573485850 /nfs/dbraw/zinc/48/58/50/573485850.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+](CCCN)CC[C@H]1CC[N@@H+](C)C1 258675667 573485855 /nfs/dbraw/zinc/48/58/55/573485855.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP CN(CCC[NH3+])CC[C@H]1CC[N@H+](C)C1 258675667 573485861 /nfs/dbraw/zinc/48/58/61/573485861.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP CN(CCC[NH3+])CC[C@H]1CC[N@@H+](C)C1 258675667 573485866 /nfs/dbraw/zinc/48/58/66/573485866.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+]1CC[C@@H](CC[N@H+](C)CCCN)C1 258675663 573485901 /nfs/dbraw/zinc/48/59/01/573485901.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+]1CC[C@@H](CC[N@@H+](C)CCCN)C1 258675663 573485905 /nfs/dbraw/zinc/48/59/05/573485905.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+](CCCN)CC[C@@H]1CC[N@H+](C)C1 258675663 573485909 /nfs/dbraw/zinc/48/59/09/573485909.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP C[NH+](CCCN)CC[C@@H]1CC[N@@H+](C)C1 258675663 573485916 /nfs/dbraw/zinc/48/59/16/573485916.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP CN(CCC[NH3+])CC[C@@H]1CC[N@H+](C)C1 258675663 573485920 /nfs/dbraw/zinc/48/59/20/573485920.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP CN(CCC[NH3+])CC[C@@H]1CC[N@@H+](C)C1 258675663 573485924 /nfs/dbraw/zinc/48/59/24/573485924.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 2 3 199.342 0.609 10 0 ACAEHP CNCCC[NH2+]CC[C@H]1CC[N@H+](C)C1 258739997 573519555 /nfs/dbraw/zinc/51/95/55/573519555.db2.gz KWIHKTJVMVZCKC-NSHDSACASA-N 2 3 199.342 0.527 10 0 ACAEHP CNCCC[NH2+]CC[C@H]1CC[N@@H+](C)C1 258739997 573519558 /nfs/dbraw/zinc/51/95/58/573519558.db2.gz KWIHKTJVMVZCKC-NSHDSACASA-N 2 3 199.342 0.527 10 0 ACAEHP C[NH+]1CCC(C[NH2+][C@H]2CCNC2)CC1 86729491 573593994 /nfs/dbraw/zinc/59/39/94/573593994.db2.gz VZSZFCWIMFEJPZ-NSHDSACASA-N 2 3 197.326 0.280 10 0 ACAEHP CN1CC[C@@H]([C@H]([NH3+])C2CC([NH3+])C2)C1 259127748 573609979 /nfs/dbraw/zinc/60/99/79/573609979.db2.gz CGXQCXGTJAXYDB-WOOKNIGNSA-N 2 3 183.299 0.003 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])C2CC([NH3+])C2)C1 259127745 573610423 /nfs/dbraw/zinc/61/04/23/573610423.db2.gz CGXQCXGTJAXYDB-AUXWQGHOSA-N 2 3 183.299 0.003 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])C[C@H]2CC[NH2+]C2)C1 259558445 573696906 /nfs/dbraw/zinc/69/69/06/573696906.db2.gz XWKGIECRSODZIB-VWYCJHECSA-N 2 3 197.326 0.265 10 0 ACAEHP CC[NH2+]C[C@@H](NC)C1CC[NH+](C)CC1 259168918 573697954 /nfs/dbraw/zinc/69/79/54/573697954.db2.gz DEWSPSRAFSAWDJ-LLVKDONJSA-N 2 3 199.342 0.526 10 0 ACAEHP CN1CC[C@H]([C@H]([NH3+])C[C@@H]2CC[NH2+]C2)C1 259558441 573698549 /nfs/dbraw/zinc/69/85/49/573698549.db2.gz XWKGIECRSODZIB-GARJFASQSA-N 2 3 197.326 0.265 10 0 ACAEHP CC[NH2+]C[C@H](NC)C1CC[NH+](C)CC1 259168924 573698852 /nfs/dbraw/zinc/69/88/52/573698852.db2.gz DEWSPSRAFSAWDJ-NSHDSACASA-N 2 3 199.342 0.526 10 0 ACAEHP CC[N@@H+]1CC[C@H]([C@H](C[NH3+])CN(C)C)C1 258125042 573768377 /nfs/dbraw/zinc/76/83/77/573768377.db2.gz LNVMKYWAACYBKW-WDEREUQCSA-N 2 3 199.342 0.465 10 0 ACAEHP CC[N@H+]1CC[C@H]([C@H](C[NH3+])CN(C)C)C1 258125042 573768382 /nfs/dbraw/zinc/76/83/82/573768382.db2.gz LNVMKYWAACYBKW-WDEREUQCSA-N 2 3 199.342 0.465 10 0 ACAEHP CC[N@@H+]1CC[C@H]([C@@H](C[NH3+])CN(C)C)C1 258125039 573768514 /nfs/dbraw/zinc/76/85/14/573768514.db2.gz LNVMKYWAACYBKW-QWRGUYRKSA-N 2 3 199.342 0.465 10 0 ACAEHP CC[N@H+]1CC[C@H]([C@@H](C[NH3+])CN(C)C)C1 258125039 573768520 /nfs/dbraw/zinc/76/85/20/573768520.db2.gz LNVMKYWAACYBKW-QWRGUYRKSA-N 2 3 199.342 0.465 10 0 ACAEHP C[NH2+]CCC[C@@H]([NH3+])[C@H]1CCCN(C)C1 259198947 573813967 /nfs/dbraw/zinc/81/39/67/573813967.db2.gz FXSYAZFKQFWKEX-WDEREUQCSA-N 2 3 199.342 0.655 10 0 ACAEHP C[NH+]1CCC([C@@H](N)C2([NH3+])CC2)CC1 259214589 573866798 /nfs/dbraw/zinc/86/67/98/573866798.db2.gz DYEMWDLTSGFGHI-SECBINFHSA-N 2 3 183.299 0.147 10 0 ACAEHP CN1CC[C@H]([C@@H]([NH3+])CC(C)(C)C[NH3+])C1 259581069 573913619 /nfs/dbraw/zinc/91/36/19/573913619.db2.gz ZEGTXMVQRIGQQD-UWVGGRQHSA-N 2 3 199.342 0.640 10 0 ACAEHP C[NH+]1CCC([C@H]([NH3+])CCN)CC1 259581356 573914690 /nfs/dbraw/zinc/91/46/90/573914690.db2.gz ZFOCZXVAKKDKGG-SECBINFHSA-N 2 3 171.288 0.004 10 0 ACAEHP C[NH+]1CCC(C[NH2+]C2CC(N)C2)CC1 87651801 573995725 /nfs/dbraw/zinc/99/57/25/573995725.db2.gz CZOGPYAMIFXKIQ-UHFFFAOYSA-N 2 3 197.326 0.408 10 0 ACAEHP CC[C@@H](CN)[C@H]([NH3+])C1CC[NH+](C)CC1 259264153 574001314 /nfs/dbraw/zinc/00/13/14/574001314.db2.gz GXBDEBPRPIGQRR-ONGXEEELSA-N 2 3 199.342 0.640 10 0 ACAEHP CN1CCC[C@H]([C@@H]([NH3+])CCC[NH3+])C1 259294238 574039709 /nfs/dbraw/zinc/03/97/09/574039709.db2.gz JWFGQCBCHPLEFA-UWVGGRQHSA-N 2 3 185.315 0.394 10 0 ACAEHP C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1CC[C@H]([NH3+])C1 307752347 629809927 /nfs/dbraw/zinc/80/99/27/629809927.db2.gz RHLBBMNLCWRNJP-CHWFTXMASA-N 2 3 197.326 0.535 10 0 ACAEHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCNC2)C1 257902760 630046027 /nfs/dbraw/zinc/04/60/27/630046027.db2.gz PFUHXPKZGLSRPQ-AEJSXWLSSA-N 2 3 183.299 0.065 10 0 ACAEHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCNC2)C1 257902762 630046302 /nfs/dbraw/zinc/04/63/02/630046302.db2.gz PFUHXPKZGLSRPQ-IVZWLZJFSA-N 2 3 183.299 0.065 10 0 ACAEHP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CNC1 925881084 630067889 /nfs/dbraw/zinc/06/78/89/630067889.db2.gz XIXMKXKICHGIDJ-NGZCFLSTSA-N 2 3 197.326 0.311 10 0 ACAEHP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CNC1 925880935 630067929 /nfs/dbraw/zinc/06/79/29/630067929.db2.gz XIXMKXKICHGIDJ-KKZNHRDASA-N 2 3 197.326 0.311 10 0 ACAEHP NC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 306922302 630137104 /nfs/dbraw/zinc/13/71/04/630137104.db2.gz UYZMGUOJFPYTNQ-VWYCJHECSA-N 2 3 197.326 0.394 10 0 ACAEHP NC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 306922302 630137109 /nfs/dbraw/zinc/13/71/09/630137109.db2.gz UYZMGUOJFPYTNQ-VWYCJHECSA-N 2 3 197.326 0.394 10 0 ACAEHP C[C@H]1CN(CCC[NH3+])CC[C@H]1C[NH3+] 923497931 630899479 /nfs/dbraw/zinc/89/94/79/630899479.db2.gz GOSOFDOZPIKXAU-UWVGGRQHSA-N 2 3 185.315 0.252 10 0 ACAEHP C[NH2+]CCCN1CC[C@@H](C[NH3+])[C@@H](C)C1 923500727 630899581 /nfs/dbraw/zinc/89/95/81/630899581.db2.gz OLIFZTFCCKSRMO-QWRGUYRKSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@@H]1CN(CCC[NH3+])CC[C@H]1C[NH3+] 923497935 630899849 /nfs/dbraw/zinc/89/98/49/630899849.db2.gz GOSOFDOZPIKXAU-ZJUUUORDSA-N 2 3 185.315 0.252 10 0 ACAEHP C[NH2+]CCCN1CC[C@H](C[NH3+])[C@H](C)C1 923500724 630900480 /nfs/dbraw/zinc/90/04/80/630900480.db2.gz OLIFZTFCCKSRMO-GHMZBOCLSA-N 2 3 199.342 0.513 10 0 ACAEHP C[C@@H]1CN(CCC[NH3+])CC[C@@H]1C[NH3+] 923497930 630900531 /nfs/dbraw/zinc/90/05/31/630900531.db2.gz GOSOFDOZPIKXAU-NXEZZACHSA-N 2 3 185.315 0.252 10 0 ACAEHP C[C@H]1CN(CCC[NH3+])CC[C@@H]1C[NH3+] 923497933 630901554 /nfs/dbraw/zinc/90/15/54/630901554.db2.gz GOSOFDOZPIKXAU-VHSXEESVSA-N 2 3 185.315 0.252 10 0 ACAEHP C[NH2+]CCCN1CC[C@@H](C[NH3+])[C@H](C)C1 923500725 630901568 /nfs/dbraw/zinc/90/15/68/630901568.db2.gz OLIFZTFCCKSRMO-MNOVXSKESA-N 2 3 199.342 0.513 10 0 ACAEHP C[NH2+]CCCN1CC[C@H](C[NH3+])[C@@H](C)C1 923500728 630901964 /nfs/dbraw/zinc/90/19/64/630901964.db2.gz OLIFZTFCCKSRMO-WDEREUQCSA-N 2 3 199.342 0.513 10 0 ACAEHP